Program PWSCF v.5.1.1 starts on 27Jul2015 at 14:38:53 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 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./HgO.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 40 18 5 2886 872 139 Max 41 19 6 2903 891 150 Sum 1285 583 169 92483 28097 4527 bravais-lattice index = 14 lattice parameter (alat) = 6.7482 a.u. unit-cell volume = 645.9154 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 54.00 number of Kohn-Sham states= 64 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.748212 celldm(2)= 1.000000 celldm(3)= 2.427051 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 2.427051 ) 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 0.412023 ) PseudoPot. # 1 for Hg read from file: /home/autes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 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 O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hg 12.00 200.59000 Hg( 1.00) O 6.00 15.99940 O( 1.00) 6 Sym. Ops. (no inversion) found ( 4 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.3333333 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.8090171 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.3333333 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8090171 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.3333333 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8090171 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.3333333 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8090171 ) 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 ) double point group D_3 (32) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' G_4 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 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' G_4 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 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 3C2' 2 5 -6 2C3 3 4 3C2' 6 -5 -2 -E -1 -2C3 -3 -4 Cartesian axes number of k points= 346 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 2) = ( 0.0098039 0.0056603 -0.0000000), wk = 0.0028902 k( 3) = ( 0.0196078 0.0113206 -0.0000000), wk = 0.0028902 k( 4) = ( 0.0294118 0.0169809 -0.0000000), wk = 0.0028902 k( 5) = ( 0.0392157 0.0226412 -0.0000000), wk = 0.0028902 k( 6) = ( 0.0490196 0.0283015 -0.0000000), wk = 0.0028902 k( 7) = ( 0.0588235 0.0339618 -0.0000000), wk = 0.0028902 k( 8) = ( 0.0686275 0.0396221 -0.0000000), wk = 0.0028902 k( 9) = ( 0.0784314 0.0452824 -0.0000000), wk = 0.0028902 k( 10) = ( 0.0882353 0.0509427 -0.0000000), wk = 0.0028902 k( 11) = ( 0.0980392 0.0566030 -0.0000000), wk = 0.0028902 k( 12) = ( 0.1078431 0.0622633 -0.0000000), wk = 0.0028902 k( 13) = ( 0.1176471 0.0679236 -0.0000000), wk = 0.0028902 k( 14) = ( 0.1274510 0.0735839 -0.0000000), wk = 0.0028902 k( 15) = ( 0.1372549 0.0792442 -0.0000000), wk = 0.0028902 k( 16) = ( 0.1470588 0.0849044 -0.0000000), wk = 0.0028902 k( 17) = ( 0.1568627 0.0905648 -0.0000000), wk = 0.0028902 k( 18) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0028902 k( 19) = ( 0.1764706 0.1018853 -0.0000000), wk = 0.0028902 k( 20) = ( 0.1862745 0.1075456 -0.0000000), wk = 0.0028902 k( 21) = ( 0.1960784 0.1132059 -0.0000000), wk = 0.0028902 k( 22) = ( 0.2058823 0.1188662 -0.0000000), wk = 0.0028902 k( 23) = ( 0.2156863 0.1245265 -0.0000000), wk = 0.0028902 k( 24) = ( 0.2254902 0.1301868 -0.0000000), wk = 0.0028902 k( 25) = ( 0.2352941 0.1358471 -0.0000000), wk = 0.0028902 k( 26) = ( 0.2450980 0.1415074 -0.0000000), wk = 0.0028902 k( 27) = ( 0.2549020 0.1471677 -0.0000000), wk = 0.0028902 k( 28) = ( 0.2647059 0.1528280 -0.0000000), wk = 0.0028902 k( 29) = ( 0.2745098 0.1584883 -0.0000000), wk = 0.0028902 k( 30) = ( 0.2843137 0.1641486 -0.0000000), wk = 0.0028902 k( 31) = ( 0.2941177 0.1698089 -0.0000000), wk = 0.0028902 k( 32) = ( 0.3039216 0.1754692 -0.0000000), wk = 0.0028902 k( 33) = ( 0.3137255 0.1811295 -0.0000000), wk = 0.0028902 k( 34) = ( 0.3235294 0.1867898 -0.0000000), wk = 0.0028902 k( 35) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0028902 k( 36) = ( 0.3431373 0.1981104 -0.0000000), wk = 0.0028902 k( 37) = ( 0.3529412 0.2037707 -0.0000000), wk = 0.0028902 k( 38) = ( 0.3627451 0.2094310 -0.0000000), wk = 0.0028902 k( 39) = ( 0.3725490 0.2150913 -0.0000000), wk = 0.0028902 k( 40) = ( 0.3823529 0.2207516 -0.0000000), wk = 0.0028902 k( 41) = ( 0.3921569 0.2264119 -0.0000000), wk = 0.0028902 k( 42) = ( 0.4019608 0.2320722 -0.0000000), wk = 0.0028902 k( 43) = ( 0.4117647 0.2377325 -0.0000000), wk = 0.0028902 k( 44) = ( 0.4215686 0.2433928 -0.0000000), wk = 0.0028902 k( 45) = ( 0.4313726 0.2490531 -0.0000000), wk = 0.0028902 k( 46) = ( 0.4411765 0.2547134 -0.0000000), wk = 0.0028902 k( 47) = ( 0.4509804 0.2603736 -0.0000000), wk = 0.0028902 k( 48) = ( 0.4607843 0.2660339 -0.0000000), wk = 0.0028902 k( 49) = ( 0.4705882 0.2716942 -0.0000000), wk = 0.0028902 k( 50) = ( 0.4803922 0.2773545 -0.0000000), wk = 0.0028902 k( 51) = ( 0.4901961 0.2830148 -0.0000000), wk = 0.0028902 k( 52) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028902 k( 53) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028902 k( 54) = ( 0.4944444 0.2982976 -0.0000000), wk = 0.0028902 k( 55) = ( 0.4888889 0.3079201 -0.0000000), wk = 0.0028902 k( 56) = ( 0.4833333 0.3175426 -0.0000000), wk = 0.0028902 k( 57) = ( 0.4777778 0.3271651 -0.0000000), wk = 0.0028902 k( 58) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0028902 k( 59) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0028902 k( 60) = ( 0.4611111 0.3560327 -0.0000000), wk = 0.0028902 k( 61) = ( 0.4555556 0.3656552 -0.0000000), wk = 0.0028902 k( 62) = ( 0.4500000 0.3752777 -0.0000000), wk = 0.0028902 k( 63) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0028902 k( 64) = ( 0.4388889 0.3945227 -0.0000000), wk = 0.0028902 k( 65) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0028902 k( 66) = ( 0.4277778 0.4137677 -0.0000000), wk = 0.0028902 k( 67) = ( 0.4222222 0.4233902 -0.0000000), wk = 0.0028902 k( 68) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0028902 k( 69) = ( 0.4111111 0.4426352 -0.0000000), wk = 0.0028902 k( 70) = ( 0.4055556 0.4522577 -0.0000000), wk = 0.0028902 k( 71) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0028902 k( 72) = ( 0.3944444 0.4715027 -0.0000000), wk = 0.0028902 k( 73) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0028902 k( 74) = ( 0.3833333 0.4907477 -0.0000000), wk = 0.0028902 k( 75) = ( 0.3777778 0.5003702 -0.0000000), wk = 0.0028902 k( 76) = ( 0.3722222 0.5099927 -0.0000000), wk = 0.0028902 k( 77) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0028902 k( 78) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0028902 k( 79) = ( 0.3555556 0.5388603 -0.0000000), wk = 0.0028902 k( 80) = ( 0.3500000 0.5484828 -0.0000000), wk = 0.0028902 k( 81) = ( 0.3444444 0.5581053 -0.0000000), wk = 0.0028902 k( 82) = ( 0.3388889 0.5677278 -0.0000000), wk = 0.0028902 k( 83) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028902 k( 84) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028902 k( 85) = ( 0.3276836 0.5675647 -0.0000000), wk = 0.0028902 k( 86) = ( 0.3220339 0.5577791 -0.0000000), wk = 0.0028902 k( 87) = ( 0.3163842 0.5479935 -0.0000000), wk = 0.0028902 k( 88) = ( 0.3107345 0.5382079 -0.0000000), wk = 0.0028902 k( 89) = ( 0.3050848 0.5284223 -0.0000000), wk = 0.0028902 k( 90) = ( 0.2994350 0.5186367 -0.0000000), wk = 0.0028902 k( 91) = ( 0.2937853 0.5088511 -0.0000000), wk = 0.0028902 k( 92) = ( 0.2881356 0.4990655 -0.0000000), wk = 0.0028902 k( 93) = ( 0.2824859 0.4892799 -0.0000000), wk = 0.0028902 k( 94) = ( 0.2768362 0.4794943 -0.0000000), wk = 0.0028902 k( 95) = ( 0.2711864 0.4697087 -0.0000000), wk = 0.0028902 k( 96) = ( 0.2655367 0.4599231 -0.0000000), wk = 0.0028902 k( 97) = ( 0.2598870 0.4501375 -0.0000000), wk = 0.0028902 k( 98) = ( 0.2542373 0.4403519 -0.0000000), wk = 0.0028902 k( 99) = ( 0.2485876 0.4305663 -0.0000000), wk = 0.0028902 k( 100) = ( 0.2429379 0.4207807 -0.0000000), wk = 0.0028902 k( 101) = ( 0.2372881 0.4109951 -0.0000000), wk = 0.0028902 k( 102) = ( 0.2316384 0.4012095 -0.0000000), wk = 0.0028902 k( 103) = ( 0.2259887 0.3914239 -0.0000000), wk = 0.0028902 k( 104) = ( 0.2203390 0.3816383 -0.0000000), wk = 0.0028902 k( 105) = ( 0.2146893 0.3718527 -0.0000000), wk = 0.0028902 k( 106) = ( 0.2090395 0.3620671 -0.0000000), wk = 0.0028902 k( 107) = ( 0.2033898 0.3522815 -0.0000000), wk = 0.0028902 k( 108) = ( 0.1977401 0.3424959 -0.0000000), wk = 0.0028902 k( 109) = ( 0.1920904 0.3327103 -0.0000000), wk = 0.0028902 k( 110) = ( 0.1864407 0.3229247 -0.0000000), wk = 0.0028902 k( 111) = ( 0.1807910 0.3131391 -0.0000000), wk = 0.0028902 k( 112) = ( 0.1751412 0.3033535 -0.0000000), wk = 0.0028902 k( 113) = ( 0.1694915 0.2935679 -0.0000000), wk = 0.0028902 k( 114) = ( 0.1638418 0.2837823 -0.0000000), wk = 0.0028902 k( 115) = ( 0.1581921 0.2739967 -0.0000000), wk = 0.0028902 k( 116) = ( 0.1525424 0.2642111 -0.0000000), wk = 0.0028902 k( 117) = ( 0.1468927 0.2544256 -0.0000000), wk = 0.0028902 k( 118) = ( 0.1412429 0.2446399 -0.0000000), wk = 0.0028902 k( 119) = ( 0.1355932 0.2348543 -0.0000000), wk = 0.0028902 k( 120) = ( 0.1299435 0.2250687 -0.0000000), wk = 0.0028902 k( 121) = ( 0.1242938 0.2152832 -0.0000000), wk = 0.0028902 k( 122) = ( 0.1186441 0.2054976 -0.0000000), wk = 0.0028902 k( 123) = ( 0.1129943 0.1957120 -0.0000000), wk = 0.0028902 k( 124) = ( 0.1073446 0.1859264 -0.0000000), wk = 0.0028902 k( 125) = ( 0.1016949 0.1761408 -0.0000000), wk = 0.0028902 k( 126) = ( 0.0960452 0.1663552 -0.0000000), wk = 0.0028902 k( 127) = ( 0.0903955 0.1565696 -0.0000000), wk = 0.0028902 k( 128) = ( 0.0847458 0.1467840 -0.0000000), wk = 0.0028902 k( 129) = ( 0.0790961 0.1369984 -0.0000000), wk = 0.0028902 k( 130) = ( 0.0734463 0.1272128 -0.0000000), wk = 0.0028902 k( 131) = ( 0.0677966 0.1174272 -0.0000000), wk = 0.0028902 k( 132) = ( 0.0621469 0.1076416 -0.0000000), wk = 0.0028902 k( 133) = ( 0.0564972 0.0978560 -0.0000000), wk = 0.0028902 k( 134) = ( 0.0508475 0.0880704 -0.0000000), wk = 0.0028902 k( 135) = ( 0.0451977 0.0782848 -0.0000000), wk = 0.0028902 k( 136) = ( 0.0395480 0.0684992 -0.0000000), wk = 0.0028902 k( 137) = ( 0.0338983 0.0587136 -0.0000000), wk = 0.0028902 k( 138) = ( 0.0282486 0.0489280 -0.0000000), wk = 0.0028902 k( 139) = ( 0.0225989 0.0391424 -0.0000000), wk = 0.0028902 k( 140) = ( 0.0169491 0.0293568 -0.0000000), wk = 0.0028902 k( 141) = ( 0.0112994 0.0195712 -0.0000000), wk = 0.0028902 k( 142) = ( 0.0056497 0.0097856 -0.0000000), wk = 0.0028902 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 145) = ( 0.0000000 0.0000000 0.0108427), wk = 0.0028902 k( 146) = ( 0.0000000 0.0000000 0.0216854), wk = 0.0028902 k( 147) = ( 0.0000000 0.0000000 0.0325281), wk = 0.0028902 k( 148) = ( 0.0000000 0.0000000 0.0433708), wk = 0.0028902 k( 149) = ( 0.0000000 0.0000000 0.0542135), wk = 0.0028902 k( 150) = ( 0.0000000 0.0000000 0.0650562), wk = 0.0028902 k( 151) = ( 0.0000000 0.0000000 0.0758989), wk = 0.0028902 k( 152) = ( 0.0000000 0.0000000 0.0867416), wk = 0.0028902 k( 153) = ( 0.0000000 0.0000000 0.0975843), wk = 0.0028902 k( 154) = ( 0.0000000 0.0000000 0.1084270), wk = 0.0028902 k( 155) = ( 0.0000000 0.0000000 0.1192697), wk = 0.0028902 k( 156) = ( 0.0000000 0.0000000 0.1301124), wk = 0.0028902 k( 157) = ( 0.0000000 0.0000000 0.1409551), wk = 0.0028902 k( 158) = ( 0.0000000 0.0000000 0.1517978), wk = 0.0028902 k( 159) = ( 0.0000000 0.0000000 0.1626405), wk = 0.0028902 k( 160) = ( 0.0000000 0.0000000 0.1734832), wk = 0.0028902 k( 161) = ( 0.0000000 0.0000000 0.1843259), wk = 0.0028902 k( 162) = ( 0.0000000 0.0000000 0.1951686), wk = 0.0028902 k( 163) = ( 0.0000000 0.0000000 0.2060113), wk = 0.0028902 k( 164) = ( 0.0000000 0.0000000 0.2060113), wk = 0.0028902 k( 165) = ( 0.0098039 0.0056603 0.2060113), wk = 0.0028902 k( 166) = ( 0.0196078 0.0113206 0.2060113), wk = 0.0028902 k( 167) = ( 0.0294118 0.0169809 0.2060113), wk = 0.0028902 k( 168) = ( 0.0392157 0.0226412 0.2060113), wk = 0.0028902 k( 169) = ( 0.0490196 0.0283015 0.2060113), wk = 0.0028902 k( 170) = ( 0.0588235 0.0339618 0.2060113), wk = 0.0028902 k( 171) = ( 0.0686275 0.0396221 0.2060113), wk = 0.0028902 k( 172) = ( 0.0784314 0.0452824 0.2060113), wk = 0.0028902 k( 173) = ( 0.0882353 0.0509427 0.2060113), wk = 0.0028902 k( 174) = ( 0.0980392 0.0566030 0.2060113), wk = 0.0028902 k( 175) = ( 0.1078431 0.0622633 0.2060113), wk = 0.0028902 k( 176) = ( 0.1176471 0.0679236 0.2060113), wk = 0.0028902 k( 177) = ( 0.1274510 0.0735839 0.2060113), wk = 0.0028902 k( 178) = ( 0.1372549 0.0792442 0.2060113), wk = 0.0028902 k( 179) = ( 0.1470588 0.0849044 0.2060113), wk = 0.0028902 k( 180) = ( 0.1568627 0.0905648 0.2060113), wk = 0.0028902 k( 181) = ( 0.1666667 0.0962250 0.2060113), wk = 0.0028902 k( 182) = ( 0.1764706 0.1018853 0.2060113), wk = 0.0028902 k( 183) = ( 0.1862745 0.1075456 0.2060113), wk = 0.0028902 k( 184) = ( 0.1960784 0.1132059 0.2060113), wk = 0.0028902 k( 185) = ( 0.2058823 0.1188662 0.2060113), wk = 0.0028902 k( 186) = ( 0.2156863 0.1245265 0.2060113), wk = 0.0028902 k( 187) = ( 0.2254902 0.1301868 0.2060113), wk = 0.0028902 k( 188) = ( 0.2352941 0.1358471 0.2060113), wk = 0.0028902 k( 189) = ( 0.2450980 0.1415074 0.2060113), wk = 0.0028902 k( 190) = ( 0.2549020 0.1471677 0.2060113), wk = 0.0028902 k( 191) = ( 0.2647059 0.1528280 0.2060113), wk = 0.0028902 k( 192) = ( 0.2745098 0.1584883 0.2060113), wk = 0.0028902 k( 193) = ( 0.2843137 0.1641486 0.2060113), wk = 0.0028902 k( 194) = ( 0.2941177 0.1698089 0.2060113), wk = 0.0028902 k( 195) = ( 0.3039216 0.1754692 0.2060113), wk = 0.0028902 k( 196) = ( 0.3137255 0.1811295 0.2060113), wk = 0.0028902 k( 197) = ( 0.3235294 0.1867898 0.2060113), wk = 0.0028902 k( 198) = ( 0.3333333 0.1924501 0.2060113), wk = 0.0028902 k( 199) = ( 0.3431373 0.1981104 0.2060113), wk = 0.0028902 k( 200) = ( 0.3529412 0.2037707 0.2060113), wk = 0.0028902 k( 201) = ( 0.3627451 0.2094310 0.2060113), wk = 0.0028902 k( 202) = ( 0.3725490 0.2150913 0.2060113), wk = 0.0028902 k( 203) = ( 0.3823529 0.2207516 0.2060113), wk = 0.0028902 k( 204) = ( 0.3921569 0.2264119 0.2060113), wk = 0.0028902 k( 205) = ( 0.4019608 0.2320722 0.2060113), wk = 0.0028902 k( 206) = ( 0.4117647 0.2377325 0.2060113), wk = 0.0028902 k( 207) = ( 0.4215686 0.2433928 0.2060113), wk = 0.0028902 k( 208) = ( 0.4313726 0.2490531 0.2060113), wk = 0.0028902 k( 209) = ( 0.4411765 0.2547134 0.2060113), wk = 0.0028902 k( 210) = ( 0.4509804 0.2603736 0.2060113), wk = 0.0028902 k( 211) = ( 0.4607843 0.2660339 0.2060113), wk = 0.0028902 k( 212) = ( 0.4705882 0.2716942 0.2060113), wk = 0.0028902 k( 213) = ( 0.4803922 0.2773545 0.2060113), wk = 0.0028902 k( 214) = ( 0.4901961 0.2830148 0.2060113), wk = 0.0028902 k( 215) = ( 0.5000000 0.2886751 0.2060113), wk = 0.0028902 k( 216) = ( 0.5000000 0.2886751 0.2060113), wk = 0.0028902 k( 217) = ( 0.4944444 0.2982976 0.2060113), wk = 0.0028902 k( 218) = ( 0.4888889 0.3079201 0.2060113), wk = 0.0028902 k( 219) = ( 0.4833333 0.3175426 0.2060113), wk = 0.0028902 k( 220) = ( 0.4777778 0.3271651 0.2060113), wk = 0.0028902 k( 221) = ( 0.4722222 0.3367877 0.2060113), wk = 0.0028902 k( 222) = ( 0.4666667 0.3464102 0.2060113), wk = 0.0028902 k( 223) = ( 0.4611111 0.3560327 0.2060113), wk = 0.0028902 k( 224) = ( 0.4555556 0.3656552 0.2060113), wk = 0.0028902 k( 225) = ( 0.4500000 0.3752777 0.2060113), wk = 0.0028902 k( 226) = ( 0.4444444 0.3849002 0.2060113), wk = 0.0028902 k( 227) = ( 0.4388889 0.3945227 0.2060113), wk = 0.0028902 k( 228) = ( 0.4333333 0.4041452 0.2060113), wk = 0.0028902 k( 229) = ( 0.4277778 0.4137677 0.2060113), wk = 0.0028902 k( 230) = ( 0.4222222 0.4233902 0.2060113), wk = 0.0028902 k( 231) = ( 0.4166667 0.4330127 0.2060113), wk = 0.0028902 k( 232) = ( 0.4111111 0.4426352 0.2060113), wk = 0.0028902 k( 233) = ( 0.4055556 0.4522577 0.2060113), wk = 0.0028902 k( 234) = ( 0.4000000 0.4618802 0.2060113), wk = 0.0028902 k( 235) = ( 0.3944444 0.4715027 0.2060113), wk = 0.0028902 k( 236) = ( 0.3888889 0.4811252 0.2060113), wk = 0.0028902 k( 237) = ( 0.3833333 0.4907477 0.2060113), wk = 0.0028902 k( 238) = ( 0.3777778 0.5003702 0.2060113), wk = 0.0028902 k( 239) = ( 0.3722222 0.5099927 0.2060113), wk = 0.0028902 k( 240) = ( 0.3666667 0.5196152 0.2060113), wk = 0.0028902 k( 241) = ( 0.3611111 0.5292377 0.2060113), wk = 0.0028902 k( 242) = ( 0.3555556 0.5388603 0.2060113), wk = 0.0028902 k( 243) = ( 0.3500000 0.5484828 0.2060113), wk = 0.0028902 k( 244) = ( 0.3444444 0.5581053 0.2060113), wk = 0.0028902 k( 245) = ( 0.3388889 0.5677278 0.2060113), wk = 0.0028902 k( 246) = ( 0.3333333 0.5773503 0.2060113), wk = 0.0028902 k( 247) = ( 0.3333333 0.5773503 0.2060113), wk = 0.0028902 k( 248) = ( 0.3276836 0.5675647 0.2060113), wk = 0.0028902 k( 249) = ( 0.3220339 0.5577791 0.2060113), wk = 0.0028902 k( 250) = ( 0.3163842 0.5479935 0.2060113), wk = 0.0028902 k( 251) = ( 0.3107345 0.5382079 0.2060113), wk = 0.0028902 k( 252) = ( 0.3050848 0.5284223 0.2060113), wk = 0.0028902 k( 253) = ( 0.2994350 0.5186367 0.2060113), wk = 0.0028902 k( 254) = ( 0.2937853 0.5088511 0.2060113), wk = 0.0028902 k( 255) = ( 0.2881356 0.4990655 0.2060113), wk = 0.0028902 k( 256) = ( 0.2824859 0.4892799 0.2060113), wk = 0.0028902 k( 257) = ( 0.2768362 0.4794943 0.2060113), wk = 0.0028902 k( 258) = ( 0.2711864 0.4697087 0.2060113), wk = 0.0028902 k( 259) = ( 0.2655367 0.4599231 0.2060113), wk = 0.0028902 k( 260) = ( 0.2598870 0.4501375 0.2060113), wk = 0.0028902 k( 261) = ( 0.2542373 0.4403519 0.2060113), wk = 0.0028902 k( 262) = ( 0.2485876 0.4305663 0.2060113), wk = 0.0028902 k( 263) = ( 0.2429379 0.4207807 0.2060113), wk = 0.0028902 k( 264) = ( 0.2372881 0.4109951 0.2060113), wk = 0.0028902 k( 265) = ( 0.2316384 0.4012095 0.2060113), wk = 0.0028902 k( 266) = ( 0.2259887 0.3914239 0.2060113), wk = 0.0028902 k( 267) = ( 0.2203390 0.3816383 0.2060113), wk = 0.0028902 k( 268) = ( 0.2146893 0.3718527 0.2060113), wk = 0.0028902 k( 269) = ( 0.2090395 0.3620671 0.2060113), wk = 0.0028902 k( 270) = ( 0.2033898 0.3522815 0.2060113), wk = 0.0028902 k( 271) = ( 0.1977401 0.3424959 0.2060113), wk = 0.0028902 k( 272) = ( 0.1920904 0.3327103 0.2060113), wk = 0.0028902 k( 273) = ( 0.1864407 0.3229247 0.2060113), wk = 0.0028902 k( 274) = ( 0.1807910 0.3131391 0.2060113), wk = 0.0028902 k( 275) = ( 0.1751412 0.3033535 0.2060113), wk = 0.0028902 k( 276) = ( 0.1694915 0.2935679 0.2060113), wk = 0.0028902 k( 277) = ( 0.1638418 0.2837823 0.2060113), wk = 0.0028902 k( 278) = ( 0.1581921 0.2739967 0.2060113), wk = 0.0028902 k( 279) = ( 0.1525424 0.2642111 0.2060113), wk = 0.0028902 k( 280) = ( 0.1468927 0.2544256 0.2060113), wk = 0.0028902 k( 281) = ( 0.1412429 0.2446399 0.2060113), wk = 0.0028902 k( 282) = ( 0.1355932 0.2348543 0.2060113), wk = 0.0028902 k( 283) = ( 0.1299435 0.2250687 0.2060113), wk = 0.0028902 k( 284) = ( 0.1242938 0.2152832 0.2060113), wk = 0.0028902 k( 285) = ( 0.1186441 0.2054976 0.2060113), wk = 0.0028902 k( 286) = ( 0.1129943 0.1957120 0.2060113), wk = 0.0028902 k( 287) = ( 0.1073446 0.1859264 0.2060113), wk = 0.0028902 k( 288) = ( 0.1016949 0.1761408 0.2060113), wk = 0.0028902 k( 289) = ( 0.0960452 0.1663552 0.2060113), wk = 0.0028902 k( 290) = ( 0.0903955 0.1565696 0.2060113), wk = 0.0028902 k( 291) = ( 0.0847458 0.1467840 0.2060113), wk = 0.0028902 k( 292) = ( 0.0790961 0.1369984 0.2060113), wk = 0.0028902 k( 293) = ( 0.0734463 0.1272128 0.2060113), wk = 0.0028902 k( 294) = ( 0.0677966 0.1174272 0.2060113), wk = 0.0028902 k( 295) = ( 0.0621469 0.1076416 0.2060113), wk = 0.0028902 k( 296) = ( 0.0564972 0.0978560 0.2060113), wk = 0.0028902 k( 297) = ( 0.0508475 0.0880704 0.2060113), wk = 0.0028902 k( 298) = ( 0.0451977 0.0782848 0.2060113), wk = 0.0028902 k( 299) = ( 0.0395480 0.0684992 0.2060113), wk = 0.0028902 k( 300) = ( 0.0338983 0.0587136 0.2060113), wk = 0.0028902 k( 301) = ( 0.0282486 0.0489280 0.2060113), wk = 0.0028902 k( 302) = ( 0.0225989 0.0391424 0.2060113), wk = 0.0028902 k( 303) = ( 0.0169491 0.0293568 0.2060113), wk = 0.0028902 k( 304) = ( 0.0112994 0.0195712 0.2060113), wk = 0.0028902 k( 305) = ( 0.0056497 0.0097856 0.2060113), wk = 0.0028902 k( 306) = ( 0.0000000 0.0000000 0.2060113), wk = 0.0028902 k( 307) = ( 0.5000000 0.2886751 0.2060113), wk = 0.0028902 k( 308) = ( 0.5000000 0.2886751 0.1951686), wk = 0.0028902 k( 309) = ( 0.5000000 0.2886751 0.1843259), wk = 0.0028902 k( 310) = ( 0.5000000 0.2886751 0.1734832), wk = 0.0028902 k( 311) = ( 0.5000000 0.2886751 0.1626405), wk = 0.0028902 k( 312) = ( 0.5000000 0.2886751 0.1517978), wk = 0.0028902 k( 313) = ( 0.5000000 0.2886751 0.1409551), wk = 0.0028902 k( 314) = ( 0.5000000 0.2886751 0.1301124), wk = 0.0028902 k( 315) = ( 0.5000000 0.2886751 0.1192697), wk = 0.0028902 k( 316) = ( 0.5000000 0.2886751 0.1084270), wk = 0.0028902 k( 317) = ( 0.5000000 0.2886751 0.0975843), wk = 0.0028902 k( 318) = ( 0.5000000 0.2886751 0.0867416), wk = 0.0028902 k( 319) = ( 0.5000000 0.2886751 0.0758989), wk = 0.0028902 k( 320) = ( 0.5000000 0.2886751 0.0650562), wk = 0.0028902 k( 321) = ( 0.5000000 0.2886751 0.0542135), wk = 0.0028902 k( 322) = ( 0.5000000 0.2886751 0.0433708), wk = 0.0028902 k( 323) = ( 0.5000000 0.2886751 0.0325281), wk = 0.0028902 k( 324) = ( 0.5000000 0.2886751 0.0216854), wk = 0.0028902 k( 325) = ( 0.5000000 0.2886751 0.0108427), wk = 0.0028902 k( 326) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028902 k( 327) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028902 k( 328) = ( 0.3333333 0.5773503 0.0108427), wk = 0.0028902 k( 329) = ( 0.3333333 0.5773503 0.0216854), wk = 0.0028902 k( 330) = ( 0.3333333 0.5773503 0.0325281), wk = 0.0028902 k( 331) = ( 0.3333333 0.5773503 0.0433708), wk = 0.0028902 k( 332) = ( 0.3333333 0.5773503 0.0542135), wk = 0.0028902 k( 333) = ( 0.3333333 0.5773503 0.0650562), wk = 0.0028902 k( 334) = ( 0.3333333 0.5773503 0.0758989), wk = 0.0028902 k( 335) = ( 0.3333333 0.5773503 0.0867416), wk = 0.0028902 k( 336) = ( 0.3333333 0.5773503 0.0975843), wk = 0.0028902 k( 337) = ( 0.3333333 0.5773503 0.1084270), wk = 0.0028902 k( 338) = ( 0.3333333 0.5773503 0.1192697), wk = 0.0028902 k( 339) = ( 0.3333333 0.5773503 0.1301124), wk = 0.0028902 k( 340) = ( 0.3333333 0.5773503 0.1409551), wk = 0.0028902 k( 341) = ( 0.3333333 0.5773503 0.1517978), wk = 0.0028902 k( 342) = ( 0.3333333 0.5773503 0.1626405), wk = 0.0028902 k( 343) = ( 0.3333333 0.5773503 0.1734832), wk = 0.0028902 k( 344) = ( 0.3333333 0.5773503 0.1843259), wk = 0.0028902 k( 345) = ( 0.3333333 0.5773503 0.1951686), wk = 0.0028902 k( 346) = ( 0.3333333 0.5773503 0.2060113), wk = 0.0028902 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 2) = ( 0.0098039 0.0000000 0.0000000), wk = 0.0028902 k( 3) = ( 0.0196078 0.0000000 0.0000000), wk = 0.0028902 k( 4) = ( 0.0294118 0.0000000 0.0000000), wk = 0.0028902 k( 5) = ( 0.0392157 0.0000000 0.0000000), wk = 0.0028902 k( 6) = ( 0.0490196 0.0000000 0.0000000), wk = 0.0028902 k( 7) = ( 0.0588235 0.0000000 0.0000000), wk = 0.0028902 k( 8) = ( 0.0686275 0.0000000 0.0000000), wk = 0.0028902 k( 9) = ( 0.0784314 0.0000000 0.0000000), wk = 0.0028902 k( 10) = ( 0.0882353 0.0000000 0.0000000), wk = 0.0028902 k( 11) = ( 0.0980392 0.0000000 0.0000000), wk = 0.0028902 k( 12) = ( 0.1078431 0.0000000 0.0000000), wk = 0.0028902 k( 13) = ( 0.1176471 0.0000000 0.0000000), wk = 0.0028902 k( 14) = ( 0.1274510 0.0000000 0.0000000), wk = 0.0028902 k( 15) = ( 0.1372549 0.0000000 0.0000000), wk = 0.0028902 k( 16) = ( 0.1470588 0.0000000 0.0000000), wk = 0.0028902 k( 17) = ( 0.1568627 0.0000000 0.0000000), wk = 0.0028902 k( 18) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0028902 k( 19) = ( 0.1764706 0.0000000 0.0000000), wk = 0.0028902 k( 20) = ( 0.1862745 0.0000000 0.0000000), wk = 0.0028902 k( 21) = ( 0.1960784 0.0000000 0.0000000), wk = 0.0028902 k( 22) = ( 0.2058823 0.0000000 0.0000000), wk = 0.0028902 k( 23) = ( 0.2156863 0.0000000 0.0000000), wk = 0.0028902 k( 24) = ( 0.2254902 0.0000000 0.0000000), wk = 0.0028902 k( 25) = ( 0.2352941 0.0000000 0.0000000), wk = 0.0028902 k( 26) = ( 0.2450980 0.0000000 0.0000000), wk = 0.0028902 k( 27) = ( 0.2549020 0.0000000 0.0000000), wk = 0.0028902 k( 28) = ( 0.2647059 0.0000000 0.0000000), wk = 0.0028902 k( 29) = ( 0.2745098 0.0000000 0.0000000), wk = 0.0028902 k( 30) = ( 0.2843137 0.0000000 0.0000000), wk = 0.0028902 k( 31) = ( 0.2941177 0.0000000 0.0000000), wk = 0.0028902 k( 32) = ( 0.3039216 0.0000000 -0.0000000), wk = 0.0028902 k( 33) = ( 0.3137255 0.0000000 0.0000000), wk = 0.0028902 k( 34) = ( 0.3235294 0.0000000 0.0000000), wk = 0.0028902 k( 35) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0028902 k( 36) = ( 0.3431373 0.0000000 0.0000000), wk = 0.0028902 k( 37) = ( 0.3529412 0.0000000 0.0000000), wk = 0.0028902 k( 38) = ( 0.3627451 0.0000000 0.0000000), wk = 0.0028902 k( 39) = ( 0.3725490 0.0000000 0.0000000), wk = 0.0028902 k( 40) = ( 0.3823529 0.0000000 0.0000000), wk = 0.0028902 k( 41) = ( 0.3921569 0.0000000 0.0000000), wk = 0.0028902 k( 42) = ( 0.4019608 0.0000000 0.0000000), wk = 0.0028902 k( 43) = ( 0.4117647 0.0000000 0.0000000), wk = 0.0028902 k( 44) = ( 0.4215686 0.0000000 0.0000000), wk = 0.0028902 k( 45) = ( 0.4313726 0.0000000 0.0000000), wk = 0.0028902 k( 46) = ( 0.4411765 0.0000000 0.0000000), wk = 0.0028902 k( 47) = ( 0.4509804 0.0000000 0.0000000), wk = 0.0028902 k( 48) = ( 0.4607843 0.0000000 0.0000000), wk = 0.0028902 k( 49) = ( 0.4705882 0.0000000 0.0000000), wk = 0.0028902 k( 50) = ( 0.4803922 0.0000000 0.0000000), wk = 0.0028902 k( 51) = ( 0.4901961 0.0000000 0.0000000), wk = 0.0028902 k( 52) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028902 k( 53) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028902 k( 54) = ( 0.4944444 0.0111111 0.0000000), wk = 0.0028902 k( 55) = ( 0.4888889 0.0222222 0.0000000), wk = 0.0028902 k( 56) = ( 0.4833333 0.0333333 0.0000000), wk = 0.0028902 k( 57) = ( 0.4777778 0.0444444 0.0000000), wk = 0.0028902 k( 58) = ( 0.4722222 0.0555556 0.0000000), wk = 0.0028902 k( 59) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0028902 k( 60) = ( 0.4611111 0.0777778 0.0000000), wk = 0.0028902 k( 61) = ( 0.4555556 0.0888889 0.0000000), wk = 0.0028902 k( 62) = ( 0.4500000 0.1000000 0.0000000), wk = 0.0028902 k( 63) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0028902 k( 64) = ( 0.4388889 0.1222222 0.0000000), wk = 0.0028902 k( 65) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0028902 k( 66) = ( 0.4277778 0.1444444 0.0000000), wk = 0.0028902 k( 67) = ( 0.4222222 0.1555556 0.0000000), wk = 0.0028902 k( 68) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0028902 k( 69) = ( 0.4111111 0.1777778 0.0000000), wk = 0.0028902 k( 70) = ( 0.4055556 0.1888889 0.0000000), wk = 0.0028902 k( 71) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0028902 k( 72) = ( 0.3944444 0.2111111 0.0000000), wk = 0.0028902 k( 73) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0028902 k( 74) = ( 0.3833333 0.2333333 0.0000000), wk = 0.0028902 k( 75) = ( 0.3777778 0.2444444 0.0000000), wk = 0.0028902 k( 76) = ( 0.3722222 0.2555556 0.0000000), wk = 0.0028902 k( 77) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0028902 k( 78) = ( 0.3611111 0.2777778 0.0000000), wk = 0.0028902 k( 79) = ( 0.3555556 0.2888889 0.0000000), wk = 0.0028902 k( 80) = ( 0.3500000 0.3000000 0.0000000), wk = 0.0028902 k( 81) = ( 0.3444444 0.3111111 0.0000000), wk = 0.0028902 k( 82) = ( 0.3388889 0.3222222 0.0000000), wk = 0.0028902 k( 83) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028902 k( 84) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028902 k( 85) = ( 0.3276836 0.3276836 -0.0000000), wk = 0.0028902 k( 86) = ( 0.3220339 0.3220339 -0.0000000), wk = 0.0028902 k( 87) = ( 0.3163842 0.3163842 0.0000000), wk = 0.0028902 k( 88) = ( 0.3107345 0.3107345 0.0000000), wk = 0.0028902 k( 89) = ( 0.3050848 0.3050848 0.0000000), wk = 0.0028902 k( 90) = ( 0.2994350 0.2994350 -0.0000000), wk = 0.0028902 k( 91) = ( 0.2937853 0.2937853 0.0000000), wk = 0.0028902 k( 92) = ( 0.2881356 0.2881356 0.0000000), wk = 0.0028902 k( 93) = ( 0.2824859 0.2824859 0.0000000), wk = 0.0028902 k( 94) = ( 0.2768362 0.2768362 0.0000000), wk = 0.0028902 k( 95) = ( 0.2711864 0.2711864 0.0000000), wk = 0.0028902 k( 96) = ( 0.2655367 0.2655367 0.0000000), wk = 0.0028902 k( 97) = ( 0.2598870 0.2598870 0.0000000), wk = 0.0028902 k( 98) = ( 0.2542373 0.2542373 0.0000000), wk = 0.0028902 k( 99) = ( 0.2485876 0.2485876 0.0000000), wk = 0.0028902 k( 100) = ( 0.2429379 0.2429378 0.0000000), wk = 0.0028902 k( 101) = ( 0.2372881 0.2372881 0.0000000), wk = 0.0028902 k( 102) = ( 0.2316384 0.2316384 0.0000000), wk = 0.0028902 k( 103) = ( 0.2259887 0.2259887 0.0000000), wk = 0.0028902 k( 104) = ( 0.2203390 0.2203390 0.0000000), wk = 0.0028902 k( 105) = ( 0.2146893 0.2146893 0.0000000), wk = 0.0028902 k( 106) = ( 0.2090395 0.2090396 0.0000000), wk = 0.0028902 k( 107) = ( 0.2033898 0.2033898 0.0000000), wk = 0.0028902 k( 108) = ( 0.1977401 0.1977401 -0.0000000), wk = 0.0028902 k( 109) = ( 0.1920904 0.1920904 0.0000000), wk = 0.0028902 k( 110) = ( 0.1864407 0.1864407 0.0000000), wk = 0.0028902 k( 111) = ( 0.1807910 0.1807910 0.0000000), wk = 0.0028902 k( 112) = ( 0.1751412 0.1751412 -0.0000000), wk = 0.0028902 k( 113) = ( 0.1694915 0.1694915 0.0000000), wk = 0.0028902 k( 114) = ( 0.1638418 0.1638418 -0.0000000), wk = 0.0028902 k( 115) = ( 0.1581921 0.1581921 0.0000000), wk = 0.0028902 k( 116) = ( 0.1525424 0.1525424 -0.0000000), wk = 0.0028902 k( 117) = ( 0.1468927 0.1468927 0.0000000), wk = 0.0028902 k( 118) = ( 0.1412429 0.1412429 0.0000000), wk = 0.0028902 k( 119) = ( 0.1355932 0.1355932 0.0000000), wk = 0.0028902 k( 120) = ( 0.1299435 0.1299435 0.0000000), wk = 0.0028902 k( 121) = ( 0.1242938 0.1242938 -0.0000000), wk = 0.0028902 k( 122) = ( 0.1186441 0.1186441 0.0000000), wk = 0.0028902 k( 123) = ( 0.1129943 0.1129944 0.0000000), wk = 0.0028902 k( 124) = ( 0.1073446 0.1073446 0.0000000), wk = 0.0028902 k( 125) = ( 0.1016949 0.1016949 0.0000000), wk = 0.0028902 k( 126) = ( 0.0960452 0.0960452 0.0000000), wk = 0.0028902 k( 127) = ( 0.0903955 0.0903955 0.0000000), wk = 0.0028902 k( 128) = ( 0.0847458 0.0847458 0.0000000), wk = 0.0028902 k( 129) = ( 0.0790961 0.0790961 0.0000000), wk = 0.0028902 k( 130) = ( 0.0734463 0.0734463 0.0000000), wk = 0.0028902 k( 131) = ( 0.0677966 0.0677966 0.0000000), wk = 0.0028902 k( 132) = ( 0.0621469 0.0621469 0.0000000), wk = 0.0028902 k( 133) = ( 0.0564972 0.0564972 0.0000000), wk = 0.0028902 k( 134) = ( 0.0508475 0.0508475 0.0000000), wk = 0.0028902 k( 135) = ( 0.0451977 0.0451977 0.0000000), wk = 0.0028902 k( 136) = ( 0.0395480 0.0395480 0.0000000), wk = 0.0028902 k( 137) = ( 0.0338983 0.0338983 0.0000000), wk = 0.0028902 k( 138) = ( 0.0282486 0.0282486 0.0000000), wk = 0.0028902 k( 139) = ( 0.0225989 0.0225989 0.0000000), wk = 0.0028902 k( 140) = ( 0.0169491 0.0169491 0.0000000), wk = 0.0028902 k( 141) = ( 0.0112994 0.0112994 0.0000000), wk = 0.0028902 k( 142) = ( 0.0056497 0.0056497 0.0000000), wk = 0.0028902 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 145) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0028902 k( 146) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0028902 k( 147) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0028902 k( 148) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0028902 k( 149) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0028902 k( 150) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0028902 k( 151) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0028902 k( 152) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0028902 k( 153) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0028902 k( 154) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0028902 k( 155) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0028902 k( 156) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0028902 k( 157) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0028902 k( 158) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0028902 k( 159) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0028902 k( 160) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0028902 k( 161) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0028902 k( 162) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0028902 k( 163) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028902 k( 164) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028902 k( 165) = ( 0.0098039 0.0000000 0.5000000), wk = 0.0028902 k( 166) = ( 0.0196078 0.0000000 0.5000000), wk = 0.0028902 k( 167) = ( 0.0294118 0.0000000 0.5000000), wk = 0.0028902 k( 168) = ( 0.0392157 0.0000000 0.5000000), wk = 0.0028902 k( 169) = ( 0.0490196 0.0000000 0.5000000), wk = 0.0028902 k( 170) = ( 0.0588235 0.0000000 0.5000000), wk = 0.0028902 k( 171) = ( 0.0686275 0.0000000 0.5000000), wk = 0.0028902 k( 172) = ( 0.0784314 0.0000000 0.5000000), wk = 0.0028902 k( 173) = ( 0.0882353 0.0000000 0.5000000), wk = 0.0028902 k( 174) = ( 0.0980392 0.0000000 0.5000000), wk = 0.0028902 k( 175) = ( 0.1078431 0.0000000 0.5000000), wk = 0.0028902 k( 176) = ( 0.1176471 0.0000000 0.5000000), wk = 0.0028902 k( 177) = ( 0.1274510 0.0000000 0.5000000), wk = 0.0028902 k( 178) = ( 0.1372549 0.0000000 0.5000000), wk = 0.0028902 k( 179) = ( 0.1470588 0.0000000 0.5000000), wk = 0.0028902 k( 180) = ( 0.1568627 0.0000000 0.5000000), wk = 0.0028902 k( 181) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0028902 k( 182) = ( 0.1764706 0.0000000 0.5000000), wk = 0.0028902 k( 183) = ( 0.1862745 0.0000000 0.5000000), wk = 0.0028902 k( 184) = ( 0.1960784 0.0000000 0.5000000), wk = 0.0028902 k( 185) = ( 0.2058823 0.0000000 0.5000000), wk = 0.0028902 k( 186) = ( 0.2156863 0.0000000 0.5000000), wk = 0.0028902 k( 187) = ( 0.2254902 0.0000000 0.5000000), wk = 0.0028902 k( 188) = ( 0.2352941 0.0000000 0.5000000), wk = 0.0028902 k( 189) = ( 0.2450980 0.0000000 0.5000000), wk = 0.0028902 k( 190) = ( 0.2549020 0.0000000 0.5000000), wk = 0.0028902 k( 191) = ( 0.2647059 0.0000000 0.5000000), wk = 0.0028902 k( 192) = ( 0.2745098 0.0000000 0.5000000), wk = 0.0028902 k( 193) = ( 0.2843137 0.0000000 0.5000000), wk = 0.0028902 k( 194) = ( 0.2941177 0.0000000 0.5000000), wk = 0.0028902 k( 195) = ( 0.3039216 0.0000000 0.5000000), wk = 0.0028902 k( 196) = ( 0.3137255 0.0000000 0.5000000), wk = 0.0028902 k( 197) = ( 0.3235294 0.0000000 0.5000000), wk = 0.0028902 k( 198) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0028902 k( 199) = ( 0.3431373 0.0000000 0.5000000), wk = 0.0028902 k( 200) = ( 0.3529412 0.0000000 0.5000000), wk = 0.0028902 k( 201) = ( 0.3627451 0.0000000 0.5000000), wk = 0.0028902 k( 202) = ( 0.3725490 0.0000000 0.5000000), wk = 0.0028902 k( 203) = ( 0.3823529 0.0000000 0.5000000), wk = 0.0028902 k( 204) = ( 0.3921569 0.0000000 0.5000000), wk = 0.0028902 k( 205) = ( 0.4019608 0.0000000 0.5000000), wk = 0.0028902 k( 206) = ( 0.4117647 0.0000000 0.5000000), wk = 0.0028902 k( 207) = ( 0.4215686 0.0000000 0.5000000), wk = 0.0028902 k( 208) = ( 0.4313726 0.0000000 0.5000000), wk = 0.0028902 k( 209) = ( 0.4411765 0.0000000 0.5000000), wk = 0.0028902 k( 210) = ( 0.4509804 0.0000000 0.5000000), wk = 0.0028902 k( 211) = ( 0.4607843 0.0000000 0.5000000), wk = 0.0028902 k( 212) = ( 0.4705882 0.0000000 0.5000000), wk = 0.0028902 k( 213) = ( 0.4803922 0.0000000 0.5000000), wk = 0.0028902 k( 214) = ( 0.4901961 0.0000000 0.5000000), wk = 0.0028902 k( 215) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028902 k( 216) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028902 k( 217) = ( 0.4944444 0.0111111 0.5000000), wk = 0.0028902 k( 218) = ( 0.4888889 0.0222222 0.5000000), wk = 0.0028902 k( 219) = ( 0.4833333 0.0333333 0.5000000), wk = 0.0028902 k( 220) = ( 0.4777778 0.0444444 0.5000000), wk = 0.0028902 k( 221) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0028902 k( 222) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0028902 k( 223) = ( 0.4611111 0.0777778 0.5000000), wk = 0.0028902 k( 224) = ( 0.4555556 0.0888889 0.5000000), wk = 0.0028902 k( 225) = ( 0.4500000 0.1000000 0.5000000), wk = 0.0028902 k( 226) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0028902 k( 227) = ( 0.4388889 0.1222222 0.5000000), wk = 0.0028902 k( 228) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0028902 k( 229) = ( 0.4277778 0.1444444 0.5000000), wk = 0.0028902 k( 230) = ( 0.4222222 0.1555556 0.5000000), wk = 0.0028902 k( 231) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0028902 k( 232) = ( 0.4111111 0.1777778 0.5000000), wk = 0.0028902 k( 233) = ( 0.4055556 0.1888889 0.5000000), wk = 0.0028902 k( 234) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0028902 k( 235) = ( 0.3944444 0.2111111 0.5000000), wk = 0.0028902 k( 236) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0028902 k( 237) = ( 0.3833333 0.2333333 0.5000000), wk = 0.0028902 k( 238) = ( 0.3777778 0.2444444 0.5000000), wk = 0.0028902 k( 239) = ( 0.3722222 0.2555556 0.5000000), wk = 0.0028902 k( 240) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0028902 k( 241) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0028902 k( 242) = ( 0.3555556 0.2888889 0.5000000), wk = 0.0028902 k( 243) = ( 0.3500000 0.3000000 0.5000000), wk = 0.0028902 k( 244) = ( 0.3444444 0.3111111 0.5000000), wk = 0.0028902 k( 245) = ( 0.3388889 0.3222222 0.5000000), wk = 0.0028902 k( 246) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028902 k( 247) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028902 k( 248) = ( 0.3276836 0.3276836 0.5000000), wk = 0.0028902 k( 249) = ( 0.3220339 0.3220339 0.5000000), wk = 0.0028902 k( 250) = ( 0.3163842 0.3163842 0.5000000), wk = 0.0028902 k( 251) = ( 0.3107345 0.3107345 0.5000000), wk = 0.0028902 k( 252) = ( 0.3050848 0.3050848 0.5000000), wk = 0.0028902 k( 253) = ( 0.2994350 0.2994350 0.5000000), wk = 0.0028902 k( 254) = ( 0.2937853 0.2937853 0.5000000), wk = 0.0028902 k( 255) = ( 0.2881356 0.2881356 0.5000000), wk = 0.0028902 k( 256) = ( 0.2824859 0.2824859 0.5000000), wk = 0.0028902 k( 257) = ( 0.2768362 0.2768362 0.5000000), wk = 0.0028902 k( 258) = ( 0.2711864 0.2711864 0.5000000), wk = 0.0028902 k( 259) = ( 0.2655367 0.2655367 0.5000000), wk = 0.0028902 k( 260) = ( 0.2598870 0.2598870 0.5000000), wk = 0.0028902 k( 261) = ( 0.2542373 0.2542373 0.5000000), wk = 0.0028902 k( 262) = ( 0.2485876 0.2485876 0.5000000), wk = 0.0028902 k( 263) = ( 0.2429379 0.2429378 0.5000000), wk = 0.0028902 k( 264) = ( 0.2372881 0.2372881 0.5000000), wk = 0.0028902 k( 265) = ( 0.2316384 0.2316384 0.5000000), wk = 0.0028902 k( 266) = ( 0.2259887 0.2259887 0.5000000), wk = 0.0028902 k( 267) = ( 0.2203390 0.2203390 0.5000000), wk = 0.0028902 k( 268) = ( 0.2146893 0.2146893 0.5000000), wk = 0.0028902 k( 269) = ( 0.2090395 0.2090396 0.5000000), wk = 0.0028902 k( 270) = ( 0.2033898 0.2033898 0.5000000), wk = 0.0028902 k( 271) = ( 0.1977401 0.1977401 0.5000000), wk = 0.0028902 k( 272) = ( 0.1920904 0.1920904 0.5000000), wk = 0.0028902 k( 273) = ( 0.1864407 0.1864407 0.5000000), wk = 0.0028902 k( 274) = ( 0.1807910 0.1807910 0.5000000), wk = 0.0028902 k( 275) = ( 0.1751412 0.1751412 0.5000000), wk = 0.0028902 k( 276) = ( 0.1694915 0.1694915 0.5000000), wk = 0.0028902 k( 277) = ( 0.1638418 0.1638418 0.5000000), wk = 0.0028902 k( 278) = ( 0.1581921 0.1581921 0.5000000), wk = 0.0028902 k( 279) = ( 0.1525424 0.1525424 0.5000000), wk = 0.0028902 k( 280) = ( 0.1468927 0.1468927 0.5000000), wk = 0.0028902 k( 281) = ( 0.1412429 0.1412429 0.5000000), wk = 0.0028902 k( 282) = ( 0.1355932 0.1355932 0.5000000), wk = 0.0028902 k( 283) = ( 0.1299435 0.1299435 0.5000000), wk = 0.0028902 k( 284) = ( 0.1242938 0.1242938 0.5000000), wk = 0.0028902 k( 285) = ( 0.1186441 0.1186441 0.5000000), wk = 0.0028902 k( 286) = ( 0.1129943 0.1129944 0.5000000), wk = 0.0028902 k( 287) = ( 0.1073446 0.1073446 0.5000000), wk = 0.0028902 k( 288) = ( 0.1016949 0.1016949 0.5000000), wk = 0.0028902 k( 289) = ( 0.0960452 0.0960452 0.5000000), wk = 0.0028902 k( 290) = ( 0.0903955 0.0903955 0.5000000), wk = 0.0028902 k( 291) = ( 0.0847458 0.0847458 0.5000000), wk = 0.0028902 k( 292) = ( 0.0790961 0.0790961 0.5000000), wk = 0.0028902 k( 293) = ( 0.0734463 0.0734463 0.5000000), wk = 0.0028902 k( 294) = ( 0.0677966 0.0677966 0.5000000), wk = 0.0028902 k( 295) = ( 0.0621469 0.0621469 0.5000000), wk = 0.0028902 k( 296) = ( 0.0564972 0.0564972 0.5000000), wk = 0.0028902 k( 297) = ( 0.0508475 0.0508475 0.5000000), wk = 0.0028902 k( 298) = ( 0.0451977 0.0451977 0.5000000), wk = 0.0028902 k( 299) = ( 0.0395480 0.0395480 0.5000000), wk = 0.0028902 k( 300) = ( 0.0338983 0.0338983 0.5000000), wk = 0.0028902 k( 301) = ( 0.0282486 0.0282486 0.5000000), wk = 0.0028902 k( 302) = ( 0.0225989 0.0225989 0.5000000), wk = 0.0028902 k( 303) = ( 0.0169491 0.0169491 0.5000000), wk = 0.0028902 k( 304) = ( 0.0112994 0.0112994 0.5000000), wk = 0.0028902 k( 305) = ( 0.0056497 0.0056497 0.5000000), wk = 0.0028902 k( 306) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028902 k( 307) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028902 k( 308) = ( 0.5000000 0.0000000 0.4736842), wk = 0.0028902 k( 309) = ( 0.5000000 0.0000000 0.4473684), wk = 0.0028902 k( 310) = ( 0.5000000 0.0000000 0.4210526), wk = 0.0028902 k( 311) = ( 0.5000000 0.0000000 0.3947368), wk = 0.0028902 k( 312) = ( 0.5000000 0.0000000 0.3684210), wk = 0.0028902 k( 313) = ( 0.5000000 0.0000000 0.3421053), wk = 0.0028902 k( 314) = ( 0.5000000 0.0000000 0.3157895), wk = 0.0028902 k( 315) = ( 0.5000000 0.0000000 0.2894737), wk = 0.0028902 k( 316) = ( 0.5000000 0.0000000 0.2631579), wk = 0.0028902 k( 317) = ( 0.5000000 0.0000000 0.2368421), wk = 0.0028902 k( 318) = ( 0.5000000 0.0000000 0.2105263), wk = 0.0028902 k( 319) = ( 0.5000000 0.0000000 0.1842105), wk = 0.0028902 k( 320) = ( 0.5000000 0.0000000 0.1578947), wk = 0.0028902 k( 321) = ( 0.5000000 0.0000000 0.1315790), wk = 0.0028902 k( 322) = ( 0.5000000 0.0000000 0.1052632), wk = 0.0028902 k( 323) = ( 0.5000000 0.0000000 0.0789474), wk = 0.0028902 k( 324) = ( 0.5000000 0.0000000 0.0526316), wk = 0.0028902 k( 325) = ( 0.5000000 0.0000000 0.0263158), wk = 0.0028902 k( 326) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0028902 k( 327) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028902 k( 328) = ( 0.3333333 0.3333333 0.0263158), wk = 0.0028902 k( 329) = ( 0.3333333 0.3333333 0.0526316), wk = 0.0028902 k( 330) = ( 0.3333333 0.3333333 0.0789474), wk = 0.0028902 k( 331) = ( 0.3333333 0.3333333 0.1052632), wk = 0.0028902 k( 332) = ( 0.3333333 0.3333333 0.1315790), wk = 0.0028902 k( 333) = ( 0.3333333 0.3333333 0.1578947), wk = 0.0028902 k( 334) = ( 0.3333333 0.3333333 0.1842105), wk = 0.0028902 k( 335) = ( 0.3333333 0.3333333 0.2105263), wk = 0.0028902 k( 336) = ( 0.3333333 0.3333333 0.2368421), wk = 0.0028902 k( 337) = ( 0.3333333 0.3333333 0.2631579), wk = 0.0028902 k( 338) = ( 0.3333333 0.3333333 0.2894737), wk = 0.0028902 k( 339) = ( 0.3333333 0.3333333 0.3157895), wk = 0.0028902 k( 340) = ( 0.3333333 0.3333333 0.3421053), wk = 0.0028902 k( 341) = ( 0.3333333 0.3333333 0.3684211), wk = 0.0028902 k( 342) = ( 0.3333333 0.3333333 0.3947368), wk = 0.0028902 k( 343) = ( 0.3333333 0.3333333 0.4210526), wk = 0.0028902 k( 344) = ( 0.3333333 0.3333333 0.4473684), wk = 0.0028902 k( 345) = ( 0.3333333 0.3333333 0.4736842), wk = 0.0028902 k( 346) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028902 Dense grid: 92483 G-vectors FFT dimensions: ( 45, 45, 108) Smooth grid: 28097 G-vectors FFT dimensions: ( 30, 30, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.22 Mb ( 224, 64) NL pseudopotentials 0.25 Mb ( 112, 144) Each V/rho on FFT grid 0.12 Mb ( 8100) Each G-vector array 0.02 Mb ( 2890) G-vector shells 0.01 Mb ( 1339) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.88 Mb ( 224, 256) Each subspace H/S matrix 1.00 Mb ( 256, 256) Each matrix 0.28 Mb ( 144, 2, 64) The potential is recalculated from file : ./HgO.save/charge-density.dat Starting wfc are 78 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.7 secs Computing kpt #: 2 total cpu time spent up to now is 5.2 secs Computing kpt #: 3 total cpu time spent up to now is 6.8 secs Computing kpt #: 4 total cpu time spent up to now is 8.4 secs Computing kpt #: 5 total cpu time spent up to now is 9.9 secs Computing kpt #: 6 total cpu time spent up to now is 11.5 secs Computing kpt #: 7 total cpu time spent up to now is 13.1 secs Computing kpt #: 8 total cpu time spent up to now is 14.6 secs Computing kpt #: 9 total cpu time spent up to now is 16.2 secs Computing kpt #: 10 total cpu time spent up to now is 17.8 secs Computing kpt #: 11 total cpu time spent up to now is 19.4 secs Computing kpt #: 12 total cpu time spent up to now is 20.9 secs Computing kpt #: 13 total cpu time spent up to now is 22.5 secs Computing kpt #: 14 total cpu time spent up to now is 24.1 secs Computing kpt #: 15 total cpu time spent up to now is 25.7 secs Computing kpt #: 16 total cpu time spent up to now is 27.3 secs Computing kpt #: 17 total cpu time spent up to now is 28.9 secs Computing kpt #: 18 total cpu time spent up to now is 30.5 secs Computing kpt #: 19 total cpu time spent up to now is 32.1 secs Computing kpt #: 20 total cpu time spent up to now is 33.7 secs Computing kpt #: 21 total cpu time spent up to now is 35.4 secs Computing kpt #: 22 total cpu time spent up to now is 36.9 secs Computing kpt #: 23 total cpu time spent up to now is 38.6 secs Computing kpt #: 24 total cpu time spent up to now is 40.2 secs Computing kpt #: 25 total cpu time spent up to now is 41.9 secs Computing kpt #: 26 total cpu time spent up to now is 43.6 secs Computing kpt #: 27 total cpu time spent up to now is 45.4 secs Computing kpt #: 28 total cpu time spent up to now is 47.0 secs Computing kpt #: 29 total cpu time spent up to now is 48.8 secs Computing kpt #: 30 total cpu time spent up to now is 50.7 secs Computing kpt #: 31 total cpu time spent up to now is 52.7 secs Computing kpt #: 32 total cpu time spent up to now is 54.8 secs Computing kpt #: 33 total cpu time spent up to now is 56.5 secs Computing kpt #: 34 total cpu time spent up to now is 58.3 secs Computing kpt #: 35 total cpu time spent up to now is 60.2 secs Computing kpt #: 36 total cpu time spent up to now is 62.0 secs Computing kpt #: 37 total cpu time spent up to now is 64.2 secs Computing kpt #: 38 total cpu time spent up to now is 66.3 secs Computing kpt #: 39 total cpu time spent up to now is 68.2 secs Computing kpt #: 40 total cpu time spent up to now is 69.9 secs Computing kpt #: 41 total cpu time spent up to now is 71.7 secs Computing kpt #: 42 total cpu time spent up to now is 73.3 secs Computing kpt #: 43 total cpu time spent up to now is 74.9 secs Computing kpt #: 44 total cpu time spent up to now is 76.4 secs Computing kpt #: 45 total cpu time spent up to now is 78.0 secs Computing kpt #: 46 total cpu time spent up to now is 79.7 secs Computing kpt #: 47 total cpu time spent up to now is 81.3 secs Computing kpt #: 48 total cpu time spent up to now is 82.8 secs Computing kpt #: 49 total cpu time spent up to now is 84.3 secs Computing kpt #: 50 total cpu time spent up to now is 85.9 secs Computing kpt #: 51 total cpu time spent up to now is 87.5 secs Computing kpt #: 52 total cpu time spent up to now is 89.0 secs Computing kpt #: 53 total cpu time spent up to now is 90.6 secs Computing kpt #: 54 total cpu time spent up to now is 92.1 secs Computing kpt #: 55 total cpu time spent up to now is 93.6 secs Computing kpt #: 56 total cpu time spent up to now is 95.2 secs Computing kpt #: 57 total cpu time spent up to now is 96.8 secs Computing kpt #: 58 total cpu time spent up to now is 98.3 secs Computing kpt #: 59 total cpu time spent up to now is 99.8 secs Computing kpt #: 60 total cpu time spent up to now is 101.4 secs Computing kpt #: 61 total cpu time spent up to now is 103.0 secs Computing kpt #: 62 total cpu time spent up to now is 104.6 secs Computing kpt #: 63 total cpu time spent up to now is 106.1 secs Computing kpt #: 64 total cpu time spent up to now is 107.7 secs Computing kpt #: 65 total cpu time spent up to now is 109.3 secs Computing kpt #: 66 total cpu time spent up to now is 110.9 secs Computing kpt #: 67 total cpu time spent up to now is 112.5 secs Computing kpt #: 68 total cpu time spent up to now is 114.0 secs Computing kpt #: 69 total cpu time spent up to now is 115.6 secs Computing kpt #: 70 total cpu time spent up to now is 117.2 secs Computing kpt #: 71 total cpu time spent up to now is 118.8 secs Computing kpt #: 72 total cpu time spent up to now is 120.3 secs Computing kpt #: 73 total cpu time spent up to now is 121.9 secs Computing kpt #: 74 total cpu time spent up to now is 123.5 secs Computing kpt #: 75 total cpu time spent up to now is 125.1 secs Computing kpt #: 76 total cpu time spent up to now is 126.7 secs Computing kpt #: 77 total cpu time spent up to now is 128.5 secs Computing kpt #: 78 total cpu time spent up to now is 130.3 secs Computing kpt #: 79 total cpu time spent up to now is 132.1 secs Computing kpt #: 80 total cpu time spent up to now is 134.2 secs Computing kpt #: 81 total cpu time spent up to now is 136.7 secs Computing kpt #: 82 total cpu time spent up to now is 139.0 secs Computing kpt #: 83 total cpu time spent up to now is 141.8 secs Computing kpt #: 84 total cpu time spent up to now is 144.1 secs Computing kpt #: 85 total cpu time spent up to now is 147.0 secs Computing kpt #: 86 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 150.0 secs Computing kpt #: 87 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 153.0 secs Computing kpt #: 88 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 155.9 secs Computing kpt #: 89 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 158.9 secs Computing kpt #: 90 total cpu time spent up to now is 161.1 secs Computing kpt #: 91 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 164.1 secs Computing kpt #: 92 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 167.0 secs Computing kpt #: 93 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 169.9 secs Computing kpt #: 94 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 172.8 secs Computing kpt #: 95 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 175.7 secs Computing kpt #: 96 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 178.6 secs Computing kpt #: 97 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 181.5 secs Computing kpt #: 98 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 184.4 secs Computing kpt #: 99 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 187.3 secs Computing kpt #: 100 total cpu time spent up to now is 190.1 secs Computing kpt #: 101 total cpu time spent up to now is 192.9 secs Computing kpt #: 102 total cpu time spent up to now is 194.8 secs Computing kpt #: 103 total cpu time spent up to now is 196.9 secs Computing kpt #: 104 total cpu time spent up to now is 199.1 secs Computing kpt #: 105 total cpu time spent up to now is 201.4 secs Computing kpt #: 106 total cpu time spent up to now is 203.5 secs Computing kpt #: 107 total cpu time spent up to now is 205.3 secs Computing kpt #: 108 total cpu time spent up to now is 207.3 secs Computing kpt #: 109 total cpu time spent up to now is 209.1 secs Computing kpt #: 110 total cpu time spent up to now is 211.0 secs Computing kpt #: 111 total cpu time spent up to now is 212.7 secs Computing kpt #: 112 total cpu time spent up to now is 214.3 secs Computing kpt #: 113 total cpu time spent up to now is 216.1 secs Computing kpt #: 114 total cpu time spent up to now is 217.8 secs Computing kpt #: 115 total cpu time spent up to now is 219.4 secs Computing kpt #: 116 total cpu time spent up to now is 221.2 secs Computing kpt #: 117 total cpu time spent up to now is 223.0 secs Computing kpt #: 118 total cpu time spent up to now is 224.6 secs Computing kpt #: 119 total cpu time spent up to now is 226.3 secs Computing kpt #: 120 total cpu time spent up to now is 227.9 secs Computing kpt #: 121 total cpu time spent up to now is 229.6 secs Computing kpt #: 122 total cpu time spent up to now is 231.2 secs Computing kpt #: 123 total cpu time spent up to now is 232.8 secs Computing kpt #: 124 total cpu time spent up to now is 234.5 secs Computing kpt #: 125 total cpu time spent up to now is 236.1 secs Computing kpt #: 126 total cpu time spent up to now is 237.7 secs Computing kpt #: 127 total cpu time spent up to now is 239.3 secs Computing kpt #: 128 total cpu time spent up to now is 240.9 secs Computing kpt #: 129 total cpu time spent up to now is 242.5 secs Computing kpt #: 130 total cpu time spent up to now is 244.1 secs Computing kpt #: 131 total cpu time spent up to now is 245.7 secs Computing kpt #: 132 total cpu time spent up to now is 247.3 secs Computing kpt #: 133 total cpu time spent up to now is 248.9 secs Computing kpt #: 134 total cpu time spent up to now is 250.4 secs Computing kpt #: 135 total cpu time spent up to now is 252.0 secs Computing kpt #: 136 total cpu time spent up to now is 253.5 secs Computing kpt #: 137 total cpu time spent up to now is 255.1 secs Computing kpt #: 138 total cpu time spent up to now is 256.6 secs Computing kpt #: 139 total cpu time spent up to now is 258.2 secs Computing kpt #: 140 total cpu time spent up to now is 259.7 secs Computing kpt #: 141 total cpu time spent up to now is 261.3 secs Computing kpt #: 142 total cpu time spent up to now is 262.8 secs Computing kpt #: 143 total cpu time spent up to now is 264.3 secs Computing kpt #: 144 total cpu time spent up to now is 265.9 secs Computing kpt #: 145 total cpu time spent up to now is 267.4 secs Computing kpt #: 146 total cpu time spent up to now is 269.0 secs Computing kpt #: 147 total cpu time spent up to now is 270.6 secs Computing kpt #: 148 total cpu time spent up to now is 272.1 secs Computing kpt #: 149 total cpu time spent up to now is 273.7 secs Computing kpt #: 150 total cpu time spent up to now is 275.3 secs Computing kpt #: 151 total cpu time spent up to now is 276.8 secs Computing kpt #: 152 total cpu time spent up to now is 278.4 secs Computing kpt #: 153 total cpu time spent up to now is 280.0 secs Computing kpt #: 154 total cpu time spent up to now is 281.6 secs Computing kpt #: 155 total cpu time spent up to now is 283.2 secs Computing kpt #: 156 total cpu time spent up to now is 284.8 secs Computing kpt #: 157 total cpu time spent up to now is 286.4 secs Computing kpt #: 158 total cpu time spent up to now is 288.0 secs Computing kpt #: 159 total cpu time spent up to now is 289.7 secs Computing kpt #: 160 total cpu time spent up to now is 291.4 secs Computing kpt #: 161 total cpu time spent up to now is 293.4 secs Computing kpt #: 162 total cpu time spent up to now is 295.4 secs Computing kpt #: 163 total cpu time spent up to now is 297.2 secs Computing kpt #: 164 total cpu time spent up to now is 298.9 secs Computing kpt #: 165 total cpu time spent up to now is 300.6 secs Computing kpt #: 166 total cpu time spent up to now is 302.4 secs Computing kpt #: 167 total cpu time spent up to now is 304.2 secs Computing kpt #: 168 total cpu time spent up to now is 306.0 secs Computing kpt #: 169 total cpu time spent up to now is 307.8 secs Computing kpt #: 170 total cpu time spent up to now is 309.5 secs Computing kpt #: 171 total cpu time spent up to now is 311.3 secs Computing kpt #: 172 total cpu time spent up to now is 313.1 secs Computing kpt #: 173 total cpu time spent up to now is 314.8 secs Computing kpt #: 174 total cpu time spent up to now is 316.6 secs Computing kpt #: 175 total cpu time spent up to now is 318.4 secs Computing kpt #: 176 total cpu time spent up to now is 320.2 secs Computing kpt #: 177 total cpu time spent up to now is 322.3 secs Computing kpt #: 178 total cpu time spent up to now is 324.3 secs Computing kpt #: 179 total cpu time spent up to now is 326.2 secs Computing kpt #: 180 total cpu time spent up to now is 329.0 secs Computing kpt #: 181 total cpu time spent up to now is 331.0 secs Computing kpt #: 182 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 333.8 secs Computing kpt #: 183 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 336.7 secs Computing kpt #: 184 total cpu time spent up to now is 338.6 secs Computing kpt #: 185 total cpu time spent up to now is 341.0 secs Computing kpt #: 186 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 343.9 secs Computing kpt #: 187 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 346.7 secs Computing kpt #: 188 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 349.6 secs Computing kpt #: 189 total cpu time spent up to now is 352.4 secs Computing kpt #: 190 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 355.3 secs Computing kpt #: 191 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 358.2 secs Computing kpt #: 192 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 361.1 secs Computing kpt #: 193 total cpu time spent up to now is 363.5 secs Computing kpt #: 194 total cpu time spent up to now is 365.9 secs Computing kpt #: 195 total cpu time spent up to now is 368.5 secs Computing kpt #: 196 total cpu time spent up to now is 371.3 secs Computing kpt #: 197 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 374.2 secs Computing kpt #: 198 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 377.1 secs Computing kpt #: 199 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 380.0 secs Computing kpt #: 200 total cpu time spent up to now is 382.2 secs Computing kpt #: 201 total cpu time spent up to now is 384.3 secs Computing kpt #: 202 total cpu time spent up to now is 386.2 secs Computing kpt #: 203 total cpu time spent up to now is 388.1 secs Computing kpt #: 204 total cpu time spent up to now is 389.9 secs Computing kpt #: 205 total cpu time spent up to now is 391.5 secs Computing kpt #: 206 total cpu time spent up to now is 393.1 secs Computing kpt #: 207 total cpu time spent up to now is 394.7 secs Computing kpt #: 208 total cpu time spent up to now is 396.2 secs Computing kpt #: 209 total cpu time spent up to now is 397.8 secs Computing kpt #: 210 total cpu time spent up to now is 399.4 secs Computing kpt #: 211 total cpu time spent up to now is 400.9 secs Computing kpt #: 212 total cpu time spent up to now is 402.5 secs Computing kpt #: 213 total cpu time spent up to now is 404.0 secs Computing kpt #: 214 total cpu time spent up to now is 405.6 secs Computing kpt #: 215 total cpu time spent up to now is 407.1 secs Computing kpt #: 216 total cpu time spent up to now is 408.7 secs Computing kpt #: 217 total cpu time spent up to now is 410.2 secs Computing kpt #: 218 total cpu time spent up to now is 411.7 secs Computing kpt #: 219 total cpu time spent up to now is 413.3 secs Computing kpt #: 220 total cpu time spent up to now is 414.8 secs Computing kpt #: 221 total cpu time spent up to now is 416.4 secs Computing kpt #: 222 total cpu time spent up to now is 418.0 secs Computing kpt #: 223 total cpu time spent up to now is 419.6 secs Computing kpt #: 224 total cpu time spent up to now is 421.1 secs Computing kpt #: 225 total cpu time spent up to now is 422.7 secs Computing kpt #: 226 total cpu time spent up to now is 424.2 secs Computing kpt #: 227 total cpu time spent up to now is 425.8 secs Computing kpt #: 228 total cpu time spent up to now is 427.4 secs Computing kpt #: 229 total cpu time spent up to now is 428.9 secs Computing kpt #: 230 total cpu time spent up to now is 430.5 secs Computing kpt #: 231 total cpu time spent up to now is 432.1 secs Computing kpt #: 232 total cpu time spent up to now is 433.7 secs Computing kpt #: 233 total cpu time spent up to now is 435.4 secs Computing kpt #: 234 total cpu time spent up to now is 437.1 secs Computing kpt #: 235 total cpu time spent up to now is 438.7 secs Computing kpt #: 236 total cpu time spent up to now is 440.5 secs Computing kpt #: 237 total cpu time spent up to now is 442.4 secs Computing kpt #: 238 total cpu time spent up to now is 444.3 secs Computing kpt #: 239 total cpu time spent up to now is 445.9 secs Computing kpt #: 240 total cpu time spent up to now is 448.0 secs Computing kpt #: 241 total cpu time spent up to now is 450.1 secs Computing kpt #: 242 total cpu time spent up to now is 452.1 secs Computing kpt #: 243 total cpu time spent up to now is 454.2 secs Computing kpt #: 244 total cpu time spent up to now is 456.1 secs Computing kpt #: 245 total cpu time spent up to now is 458.1 secs Computing kpt #: 246 total cpu time spent up to now is 459.9 secs Computing kpt #: 247 total cpu time spent up to now is 461.8 secs Computing kpt #: 248 total cpu time spent up to now is 463.7 secs Computing kpt #: 249 total cpu time spent up to now is 465.7 secs Computing kpt #: 250 total cpu time spent up to now is 467.6 secs Computing kpt #: 251 total cpu time spent up to now is 469.6 secs Computing kpt #: 252 total cpu time spent up to now is 471.7 secs Computing kpt #: 253 total cpu time spent up to now is 473.9 secs Computing kpt #: 254 total cpu time spent up to now is 476.1 secs Computing kpt #: 255 total cpu time spent up to now is 478.2 secs Computing kpt #: 256 total cpu time spent up to now is 480.5 secs Computing kpt #: 257 total cpu time spent up to now is 482.5 secs Computing kpt #: 258 total cpu time spent up to now is 485.0 secs Computing kpt #: 259 total cpu time spent up to now is 487.6 secs Computing kpt #: 260 total cpu time spent up to now is 490.4 secs Computing kpt #: 261 total cpu time spent up to now is 493.0 secs Computing kpt #: 262 total cpu time spent up to now is 495.8 secs Computing kpt #: 263 total cpu time spent up to now is 498.6 secs Computing kpt #: 264 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 501.6 secs Computing kpt #: 265 total cpu time spent up to now is 504.4 secs Computing kpt #: 266 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 507.4 secs Computing kpt #: 267 total cpu time spent up to now is 510.1 secs Computing kpt #: 268 total cpu time spent up to now is 512.5 secs Computing kpt #: 269 total cpu time spent up to now is 515.4 secs Computing kpt #: 270 total cpu time spent up to now is 517.5 secs Computing kpt #: 271 total cpu time spent up to now is 519.7 secs Computing kpt #: 272 total cpu time spent up to now is 521.6 secs Computing kpt #: 273 total cpu time spent up to now is 523.5 secs Computing kpt #: 274 total cpu time spent up to now is 525.4 secs Computing kpt #: 275 total cpu time spent up to now is 527.2 secs Computing kpt #: 276 total cpu time spent up to now is 528.8 secs Computing kpt #: 277 total cpu time spent up to now is 530.4 secs Computing kpt #: 278 total cpu time spent up to now is 532.1 secs Computing kpt #: 279 total cpu time spent up to now is 533.7 secs Computing kpt #: 280 total cpu time spent up to now is 535.3 secs Computing kpt #: 281 total cpu time spent up to now is 536.9 secs Computing kpt #: 282 total cpu time spent up to now is 538.5 secs Computing kpt #: 283 total cpu time spent up to now is 540.2 secs Computing kpt #: 284 total cpu time spent up to now is 541.8 secs Computing kpt #: 285 total cpu time spent up to now is 543.5 secs Computing kpt #: 286 total cpu time spent up to now is 545.2 secs Computing kpt #: 287 total cpu time spent up to now is 546.9 secs Computing kpt #: 288 total cpu time spent up to now is 548.6 secs Computing kpt #: 289 total cpu time spent up to now is 550.2 secs Computing kpt #: 290 total cpu time spent up to now is 552.0 secs Computing kpt #: 291 total cpu time spent up to now is 553.6 secs Computing kpt #: 292 total cpu time spent up to now is 555.4 secs Computing kpt #: 293 total cpu time spent up to now is 557.0 secs Computing kpt #: 294 total cpu time spent up to now is 558.7 secs Computing kpt #: 295 total cpu time spent up to now is 560.4 secs Computing kpt #: 296 total cpu time spent up to now is 562.2 secs Computing kpt #: 297 total cpu time spent up to now is 563.9 secs Computing kpt #: 298 total cpu time spent up to now is 565.7 secs Computing kpt #: 299 total cpu time spent up to now is 567.4 secs Computing kpt #: 300 total cpu time spent up to now is 569.2 secs Computing kpt #: 301 total cpu time spent up to now is 571.0 secs Computing kpt #: 302 total cpu time spent up to now is 572.8 secs Computing kpt #: 303 total cpu time spent up to now is 574.6 secs Computing kpt #: 304 total cpu time spent up to now is 576.5 secs Computing kpt #: 305 total cpu time spent up to now is 578.2 secs Computing kpt #: 306 total cpu time spent up to now is 579.9 secs Computing kpt #: 307 total cpu time spent up to now is 581.5 secs Computing kpt #: 308 total cpu time spent up to now is 583.0 secs Computing kpt #: 309 total cpu time spent up to now is 584.6 secs Computing kpt #: 310 total cpu time spent up to now is 586.1 secs Computing kpt #: 311 total cpu time spent up to now is 587.6 secs Computing kpt #: 312 total cpu time spent up to now is 589.3 secs Computing kpt #: 313 total cpu time spent up to now is 590.8 secs Computing kpt #: 314 total cpu time spent up to now is 592.4 secs Computing kpt #: 315 total cpu time spent up to now is 593.9 secs Computing kpt #: 316 total cpu time spent up to now is 595.5 secs Computing kpt #: 317 total cpu time spent up to now is 597.1 secs Computing kpt #: 318 total cpu time spent up to now is 598.7 secs Computing kpt #: 319 total cpu time spent up to now is 600.2 secs Computing kpt #: 320 total cpu time spent up to now is 601.8 secs Computing kpt #: 321 total cpu time spent up to now is 603.3 secs Computing kpt #: 322 total cpu time spent up to now is 604.9 secs Computing kpt #: 323 total cpu time spent up to now is 606.5 secs Computing kpt #: 324 total cpu time spent up to now is 608.1 secs Computing kpt #: 325 total cpu time spent up to now is 609.6 secs Computing kpt #: 326 total cpu time spent up to now is 611.1 secs Computing kpt #: 327 total cpu time spent up to now is 613.7 secs Computing kpt #: 328 total cpu time spent up to now is 616.0 secs Computing kpt #: 329 total cpu time spent up to now is 618.3 secs Computing kpt #: 330 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 621.4 secs Computing kpt #: 331 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 624.5 secs Computing kpt #: 332 total cpu time spent up to now is 626.8 secs Computing kpt #: 333 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 629.9 secs Computing kpt #: 334 total cpu time spent up to now is 632.7 secs Computing kpt #: 335 total cpu time spent up to now is 635.2 secs Computing kpt #: 336 total cpu time spent up to now is 637.8 secs Computing kpt #: 337 total cpu time spent up to now is 640.2 secs Computing kpt #: 338 total cpu time spent up to now is 642.6 secs Computing kpt #: 339 total cpu time spent up to now is 644.6 secs Computing kpt #: 340 total cpu time spent up to now is 646.8 secs Computing kpt #: 341 total cpu time spent up to now is 648.9 secs Computing kpt #: 342 total cpu time spent up to now is 650.9 secs Computing kpt #: 343 total cpu time spent up to now is 653.0 secs Computing kpt #: 344 total cpu time spent up to now is 655.1 secs Computing kpt #: 345 total cpu time spent up to now is 657.1 secs Computing kpt #: 346 total cpu time spent up to now is 659.0 secs ethr = 1.85E-11, avg # of iterations = 49.7 total cpu time spent up to now is 659.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3545 PWs) bands (ev): -9.3103 -9.3103 -8.6001 -8.6001 -8.5997 -8.5997 1.0483 1.0483 1.2058 1.2058 1.6504 1.6504 1.8994 1.8994 2.1701 2.1701 2.1813 2.1813 2.3461 2.3461 2.4579 2.4579 3.4877 3.4877 3.5329 3.5329 3.6819 3.6819 3.7260 3.7260 4.0918 4.0918 4.1760 4.1760 4.3620 4.3620 5.2202 5.2202 5.3146 5.3146 6.3288 6.3288 6.5801 6.5801 6.8615 6.8615 6.8677 6.8677 8.1735 8.1735 8.4668 8.4668 8.4704 8.4704 10.1671 10.1671 12.1375 12.1375 12.1702 12.1702 15.7486 15.7486 15.8079 15.8079 k = 0.0098 0.0057-0.0000 ( 3547 PWs) bands (ev): -9.3100 -9.3100 -8.6002 -8.5999 -8.5996 -8.5996 1.0449 1.0517 1.2059 1.2059 1.6493 1.6523 1.8963 1.9033 2.1702 2.1702 2.1799 2.1833 2.3463 2.3463 2.4537 2.4627 3.4858 3.4895 3.5316 3.5345 3.6821 3.6821 3.7256 3.7265 4.0915 4.0915 4.1730 4.1788 4.3616 4.3625 5.2158 5.2244 5.3147 5.3147 6.3276 6.3312 6.5614 6.5678 6.8636 6.8649 6.8789 6.8831 8.1708 8.1750 8.4625 8.4643 8.4690 8.4742 10.1643 10.1692 12.1396 12.1405 12.1726 12.1727 15.7450 15.7521 15.8078 15.8078 k = 0.0196 0.0113-0.0000 ( 3539 PWs) bands (ev): -9.3091 -9.3091 -8.6002 -8.5996 -8.5994 -8.5991 1.0415 1.0550 1.2060 1.2061 1.6491 1.6551 1.8941 1.9078 2.1702 2.1704 2.1790 2.1857 2.3467 2.3468 2.4500 2.4681 3.4836 3.4910 3.5304 3.5362 3.6825 3.6825 3.7254 3.7270 4.0907 4.0907 4.1699 4.1815 4.3610 4.3629 5.2110 5.2281 5.3150 5.3151 6.3274 6.3347 6.5205 6.5311 6.8642 6.8669 6.9174 6.9232 8.1667 8.1751 8.4540 8.4591 8.4670 8.4768 10.1608 10.1705 12.1467 12.1485 12.1799 12.1803 15.7413 15.7553 15.8077 15.8079 k = 0.0294 0.0170-0.0000 ( 3533 PWs) bands (ev): -9.3076 -9.3076 -8.6001 -8.5993 -8.5990 -8.5984 1.0381 1.0582 1.2062 1.2065 1.6498 1.6587 1.8928 1.9130 2.1702 2.1708 2.1787 2.1886 2.3474 2.3477 2.4468 2.4743 3.4813 3.4922 3.5295 3.5381 3.6833 3.6833 3.7254 3.7277 4.0892 4.0894 4.1666 4.1839 4.3604 4.3633 5.2061 5.2314 5.3155 5.3158 6.3279 6.3393 6.4691 6.4818 6.8652 6.8692 6.9690 6.9751 8.1613 8.1740 8.4433 8.4520 8.4624 8.4779 10.1568 10.1710 12.1587 12.1613 12.1918 12.1930 15.7375 15.7582 15.8076 15.8082 k = 0.0392 0.0226-0.0000 ( 3545 PWs) bands (ev): -9.3055 -9.3055 -8.6000 -8.5989 -8.5984 -8.5975 1.0347 1.0612 1.2064 1.2072 1.6514 1.6632 1.8924 1.9187 2.1701 2.1713 2.1789 2.1919 2.3483 2.3491 2.4440 2.4812 3.4788 3.4932 3.5288 3.5402 3.6843 3.6844 3.7255 3.7285 4.0872 4.0877 4.1632 4.1862 4.3598 4.3637 5.2009 5.2343 5.3162 5.3168 6.3274 6.3449 6.4153 6.4271 6.8667 6.8719 7.0261 7.0319 8.1544 8.1716 8.4304 8.4433 8.4553 8.4775 10.1527 10.1710 12.1752 12.1788 12.2081 12.2107 15.7334 15.7603 15.8076 15.8091 k = 0.0490 0.0283-0.0000 ( 3537 PWs) bands (ev): -9.3028 -9.3028 -8.5997 -8.5984 -8.5975 -8.5963 1.0315 1.0639 1.2065 1.2081 1.6539 1.6684 1.8930 1.9249 2.1699 2.1721 2.1797 2.1955 2.3494 2.3509 2.4418 2.4888 3.4762 3.4939 3.5284 3.5423 3.6855 3.6858 3.7259 3.7294 4.0846 4.0856 4.1598 4.1883 4.3592 4.3640 5.1955 5.2365 5.3171 5.3182 6.3174 6.3508 6.3701 6.3722 6.8687 6.8752 7.0846 7.0904 8.1461 8.1679 8.4158 8.4330 8.4460 8.4760 10.1488 10.1706 12.1956 12.2010 12.2285 12.2333 15.7290 15.7613 15.8078 15.8108 k = 0.0588 0.0340-0.0000 ( 3529 PWs) bands (ev): -9.2996 -9.2995 -8.5994 -8.5979 -8.5964 -8.5949 1.0284 1.0665 1.2067 1.2093 1.6573 1.6744 1.8944 1.9313 2.1697 2.1729 2.1809 2.1994 2.3506 2.3533 2.4399 2.4974 3.4735 3.4943 3.5281 3.5446 3.6870 3.6876 3.7266 3.7305 4.0815 4.0832 4.1563 4.1902 4.3586 4.3645 5.1899 5.2380 5.3182 5.3199 6.2778 6.3141 6.3546 6.3620 6.8713 6.8788 7.1426 7.1485 8.1362 8.1629 8.3999 8.4211 8.4352 8.4735 10.1455 10.1703 12.2195 12.2275 12.2529 12.2605 15.7242 15.7609 15.8085 15.8137 k = 0.0686 0.0396-0.0000 ( 3533 PWs) bands (ev): -9.2958 -9.2957 -8.5991 -8.5973 -8.5950 -8.5933 1.0255 1.0688 1.2068 1.2108 1.6615 1.6811 1.8968 1.9378 2.1696 2.1738 2.1826 2.2035 2.3520 2.3560 2.4384 2.5068 3.4708 3.4945 3.5280 3.5469 3.6888 3.6897 3.7276 3.7316 4.0779 4.0806 4.1527 4.1919 4.3580 4.3649 5.1841 5.2388 5.3195 5.3221 6.2247 6.2591 6.3578 6.3691 6.8743 6.8828 7.1983 7.2048 8.1247 8.1566 8.3832 8.4072 8.4240 8.4701 10.1432 10.1703 12.2465 12.2578 12.2809 12.2919 15.7189 15.7588 15.8098 15.8178 k = 0.0784 0.0453-0.0000 ( 3541 PWs) bands (ev): -9.2914 -9.2914 -8.5986 -8.5966 -8.5934 -8.5915 1.0227 1.0708 1.2069 1.2125 1.6666 1.6885 1.8999 1.9445 2.1695 2.1747 2.1847 2.2077 2.3534 2.3593 2.4374 2.5171 3.4680 3.4944 3.5281 3.5493 3.6907 3.6921 3.7290 3.7330 4.0739 4.0778 4.1492 4.1934 4.3574 4.3655 5.1780 5.2386 5.3212 5.3246 6.1704 6.2060 6.3641 6.3779 6.8778 6.8872 7.2510 7.2582 8.1114 8.1490 8.3662 8.3911 8.4133 8.4662 10.1424 10.1711 12.2761 12.2911 12.3126 12.3272 15.7130 15.7551 15.8120 15.8232 k = 0.0882 0.0509-0.0000 ( 3545 PWs) bands (ev): -9.2865 -9.2865 -8.5981 -8.5959 -8.5917 -8.5895 1.0202 1.0725 1.2070 1.2145 1.6725 1.6966 1.9038 1.9510 2.1695 2.1755 2.1872 2.2120 2.3549 2.3631 2.4367 2.5282 3.4653 3.4941 3.5282 3.5518 3.6926 3.6949 3.7308 3.7346 4.0695 4.0750 4.1457 4.1947 4.3569 4.3662 5.1718 5.2375 5.3231 5.3276 6.1175 6.1553 6.3720 6.3875 6.8816 6.8917 7.2994 7.3075 8.0962 8.1401 8.3495 8.3729 8.4039 8.4621 10.1436 10.1732 12.3081 12.3266 12.3481 12.3658 15.7064 15.7498 15.8151 15.8296 k = 0.0980 0.0566-0.0000 ( 3549 PWs) bands (ev): -9.2812 -9.2811 -8.5975 -8.5951 -8.5897 -8.5873 1.0179 1.0739 1.2072 1.2168 1.6791 1.7054 1.9084 1.9573 2.1695 2.1763 2.1900 2.2163 2.3564 2.3673 2.4365 2.5403 3.4627 3.4935 3.5283 3.5543 3.6946 3.6980 3.7333 3.7366 4.0649 4.0722 4.1423 4.1958 4.3565 4.3670 5.1653 5.2353 5.3254 5.3309 6.0671 6.1075 6.3811 6.3975 6.8856 6.8964 7.3430 7.3519 8.0789 8.1298 8.3336 8.3533 8.3964 8.4580 10.1473 10.1770 12.3420 12.3632 12.3872 12.4072 15.6992 15.7430 15.8192 15.8370 k = 0.1078 0.0623-0.0000 ( 3545 PWs) bands (ev): -9.2753 -9.2752 -8.5968 -8.5942 -8.5875 -8.5849 1.0159 1.0751 1.2074 1.2193 1.6865 1.7148 1.9135 1.9634 2.1697 2.1769 2.1932 2.2204 2.3581 2.3719 2.4368 2.5532 3.4602 3.4928 3.5285 3.5570 3.6964 3.7013 3.7364 3.7390 4.0601 4.0696 4.1390 4.1967 4.3562 4.3680 5.1585 5.2320 5.3280 5.3348 6.0195 6.0630 6.3909 6.4079 6.8897 6.9010 7.3808 7.3903 8.0597 8.1179 8.3189 8.3328 8.3912 8.4543 10.1539 10.1832 12.3774 12.4005 12.4296 12.4511 15.6911 15.7348 15.8243 15.8451 k = 0.1176 0.0679-0.0000 ( 3541 PWs) bands (ev): -9.2689 -9.2688 -8.5961 -8.5933 -8.5851 -8.5823 1.0140 1.0760 1.2076 1.2220 1.6945 1.7248 1.9191 1.9691 2.1699 2.1773 2.1966 2.2243 2.3598 2.3767 2.4377 2.5669 3.4578 3.4920 3.5287 3.5597 3.6981 3.7048 3.7403 3.7420 4.0552 4.0671 4.1360 4.1975 4.3561 4.3692 5.1513 5.2276 5.3308 5.3391 5.9752 6.0219 6.4014 6.4186 6.8939 6.9055 7.4122 7.4221 8.0383 8.1044 8.3056 8.3124 8.3886 8.4513 10.1639 10.1921 12.4138 12.4384 12.4743 12.4968 15.6824 15.7251 15.8305 15.8538 k = 0.1275 0.0736-0.0000 ( 3527 PWs) bands (ev): -9.2621 -9.2620 -8.5953 -8.5923 -8.5825 -8.5795 1.0125 1.0767 1.2080 1.2249 1.7032 1.7352 1.9250 1.9743 2.1701 2.1777 2.2003 2.2280 2.3617 2.3818 2.4391 2.5813 3.4555 3.4911 3.5288 3.5624 3.6995 3.7085 3.7449 3.7458 4.0504 4.0650 4.1332 4.1982 4.3562 4.3706 5.1438 5.2221 5.3338 5.3439 5.9343 5.9846 6.4124 6.4294 6.8979 6.9098 7.4369 7.4466 8.0151 8.0889 8.2904 8.2959 8.3889 8.4494 10.1777 10.2043 12.4508 12.4767 12.5206 12.5440 15.6729 15.7140 15.8375 15.8627 k = 0.1373 0.0792-0.0000 ( 3531 PWs) bands (ev): -9.2549 -9.2548 -8.5944 -8.5913 -8.5797 -8.5766 1.0112 1.0771 1.2085 1.2278 1.7124 1.7462 1.9310 1.9790 2.1704 2.1778 2.2042 2.2313 2.3636 2.3869 2.4413 2.5962 3.4534 3.4903 3.5290 3.5653 3.7006 3.7121 3.7499 3.7510 4.0456 4.0633 4.1307 4.1987 4.3565 4.3723 5.1359 5.2156 5.3369 5.3493 5.8971 5.9512 6.4237 6.4403 6.9015 6.9136 7.4545 7.4634 7.9900 8.0714 8.2715 8.2860 8.3922 8.4489 10.1956 10.2201 12.4879 12.5149 12.5679 12.5921 15.6625 15.7014 15.8452 15.8719 k = 0.1471 0.0849-0.0000 ( 3527 PWs) bands (ev): -9.2472 -9.2471 -8.5935 -8.5902 -8.5768 -8.5735 1.0101 1.0772 1.2092 1.2308 1.7220 1.7575 1.9372 1.9831 2.1707 2.1779 2.2083 2.2342 2.3658 2.3918 2.4444 2.6115 3.4515 3.4895 3.5291 3.5682 3.7014 3.7158 3.7553 3.7573 4.0411 4.0620 4.1285 4.1993 4.3570 4.3743 5.1276 5.2082 5.3401 5.3552 5.8636 5.9216 6.4354 6.4514 6.9047 6.9168 7.4652 7.4726 7.9636 8.0517 8.2535 8.2783 8.3981 8.4499 10.2179 10.2399 12.5247 12.5529 12.6155 12.6407 15.6513 15.6872 15.8534 15.8810 k = 0.1569 0.0906-0.0000 ( 3527 PWs) bands (ev): -9.2393 -9.2392 -8.5925 -8.5890 -8.5737 -8.5703 1.0093 1.0772 1.2100 1.2339 1.7320 1.7691 1.9432 1.9866 2.1710 2.1779 2.2125 2.2367 2.3680 2.3963 2.4484 2.6271 3.4498 3.4888 3.5293 3.5711 3.7020 3.7195 3.7617 3.7646 4.0370 4.0612 4.1269 4.1998 4.3579 4.3765 5.1189 5.2000 5.3434 5.3616 5.8339 5.8959 6.4472 6.4625 6.9073 6.9193 7.4691 7.4741 7.9360 8.0300 8.2371 8.2722 8.4063 8.4525 10.2448 10.2640 12.5607 12.5902 12.6629 12.6895 15.6391 15.6710 15.8615 15.8898 k = 0.1667 0.0962-0.0000 ( 3521 PWs) bands (ev): -9.2310 -9.2309 -8.5914 -8.5878 -8.5705 -8.5669 1.0087 1.0769 1.2110 1.2369 1.7423 1.7809 1.9490 1.9894 2.1712 2.1778 2.2168 2.2388 2.3704 2.4003 2.4534 2.6428 3.4483 3.4884 3.5296 3.5741 3.7026 3.7233 3.7689 3.7727 4.0332 4.0610 4.1257 4.2004 4.3590 4.3791 5.1100 5.1913 5.3467 5.3684 5.8079 5.8740 6.4592 6.4737 6.9090 6.9208 7.4665 7.4686 7.9079 8.0070 8.2226 8.2672 8.4161 8.4564 10.2764 10.2926 12.5955 12.6265 12.7097 12.7379 15.6257 15.6528 15.8690 15.8982 k = 0.1765 0.1019-0.0000 ( 3525 PWs) bands (ev): -9.2224 -9.2223 -8.5903 -8.5866 -8.5671 -8.5634 1.0083 1.0765 1.2121 1.2398 1.7528 1.7928 1.9545 1.9916 2.1712 2.1777 2.2214 2.2405 2.3730 2.4038 2.4595 2.6585 3.4471 3.4884 3.5301 3.5772 3.7031 3.7272 3.7771 3.7816 4.0300 4.0612 4.1251 4.2011 4.3605 4.3819 5.1008 5.1822 5.3501 5.3756 5.7855 5.8557 6.4713 6.4851 6.9096 6.9212 7.4555 7.4588 7.8796 7.9832 8.2097 8.2631 8.4268 8.4614 10.3128 10.3258 12.6286 12.6612 12.7554 12.7857 15.6107 15.6321 15.8750 15.9061 k = 0.1863 0.1075-0.0000 ( 3525 PWs) bands (ev): -9.2135 -9.2134 -8.5891 -8.5852 -8.5636 -8.5598 1.0081 1.0759 1.2135 1.2427 1.7633 1.8046 1.9594 1.9931 2.1710 2.1777 2.2261 2.2420 2.3756 2.4066 2.4666 2.6738 3.4461 3.4887 3.5306 3.5803 3.7038 3.7313 3.7860 3.7911 4.0274 4.0620 4.1252 4.2020 4.3623 4.3851 5.0917 5.1731 5.3534 5.3831 5.7666 5.8408 6.4833 6.4968 6.9090 6.9202 7.4368 7.4450 7.8519 7.9594 8.1985 8.2596 8.4377 8.4669 10.3538 10.3636 12.6596 12.6939 12.7997 12.8325 15.5937 15.6086 15.8786 15.9130 k = 0.1961 0.1132-0.0000 ( 3529 PWs) bands (ev): -9.2044 -9.2043 -8.5878 -8.5839 -8.5600 -8.5562 1.0081 1.0751 1.2149 1.2454 1.7737 1.8162 1.9638 1.9941 2.1704 2.1778 2.2310 2.2433 2.3782 2.4089 2.4745 2.6886 3.4453 3.4895 3.5315 3.5835 3.7049 3.7358 3.7958 3.8012 4.0254 4.0633 4.1260 4.2032 4.3645 4.3885 5.0827 5.1642 5.3568 5.3907 5.7509 5.8290 6.4951 6.5091 6.9071 6.9178 7.4123 7.4264 7.8253 7.9365 8.1888 8.2566 8.4482 8.4726 10.3995 10.4061 12.6880 12.7243 12.8424 12.8780 15.5734 15.5822 15.8790 15.9184 k = 0.2059 0.1189-0.0000 ( 3533 PWs) bands (ev): -9.1952 -9.1950 -8.5865 -8.5825 -8.5563 -8.5524 1.0083 1.0742 1.2165 1.2480 1.7838 1.8273 1.9674 1.9945 2.1696 2.1781 2.2361 2.2444 2.3809 2.4107 2.4830 2.7028 3.4449 3.4908 3.5326 3.5868 3.7064 3.7407 3.8063 3.8119 4.0242 4.0651 4.1276 4.2047 4.3671 4.3922 5.0741 5.1557 5.3600 5.3982 5.7383 5.8201 6.5064 6.5222 6.9037 6.9136 7.3827 7.4032 7.8004 7.9151 8.1805 8.2541 8.4578 8.4780 10.4495 10.4530 12.7134 12.7519 12.8832 12.9219 15.5460 15.5556 15.8755 15.9215 k = 0.2157 0.1245-0.0000 ( 3527 PWs) bands (ev): -9.1857 -9.1856 -8.5851 -8.5811 -8.5525 -8.5486 1.0086 1.0732 1.2182 1.2505 1.7934 1.8380 1.9701 1.9945 2.1685 2.1784 2.2416 2.2457 2.3834 2.4121 2.4922 2.7162 3.4447 3.4927 3.5340 3.5901 3.7085 3.7462 3.8175 3.8231 4.0238 4.0673 4.1301 4.2066 4.3701 4.3962 5.0661 5.1478 5.3631 5.4055 5.7286 5.8136 6.5172 6.5362 6.8987 6.9076 7.3485 7.3760 7.7778 7.8957 8.1733 8.2520 8.4661 8.4825 10.5034 10.5043 12.7356 12.7763 12.9220 12.9641 15.5098 15.5284 15.8675 15.9212 k = 0.2255 0.1302-0.0000 ( 3527 PWs) bands (ev): -9.1762 -9.1760 -8.5837 -8.5796 -8.5487 -8.5447 1.0092 1.0720 1.2201 1.2528 1.8024 1.8479 1.9718 1.9942 2.1673 2.1787 2.2467 2.2478 2.3858 2.4131 2.5019 2.7286 3.4448 3.4950 3.5358 3.5935 3.7114 3.7522 3.8293 3.8347 4.0241 4.0700 4.1334 4.2090 4.3736 4.4005 5.0589 5.1409 5.3659 5.4123 5.7216 5.8095 6.5271 6.5512 6.8920 6.8995 7.3104 7.3453 7.7581 7.8788 8.1673 8.2504 8.4728 8.4859 10.5589 10.5616 12.7541 12.7971 12.9586 13.0042 15.4666 15.4971 15.8545 15.9167 k = 0.2353 0.1358-0.0000 ( 3523 PWs) bands (ev): -9.1666 -9.1664 -8.5822 -8.5781 -8.5448 -8.5407 1.0098 1.0709 1.2220 1.2550 1.8106 1.8568 1.9723 1.9938 2.1659 2.1790 2.2486 2.2537 2.3880 2.4138 2.5120 2.7399 3.4452 3.4977 3.5381 3.5971 3.7153 3.7589 3.8418 3.8469 4.0254 4.0730 4.1378 4.2120 4.3775 4.4050 5.0527 5.1349 5.3683 5.4183 5.7171 5.8073 6.5362 6.5672 6.8838 6.8893 7.2692 7.3118 7.7414 7.8644 8.1623 8.2492 8.4778 8.4881 10.6175 10.6229 12.7686 12.8139 12.9930 13.0422 15.4162 15.4599 15.8357 15.9078 k = 0.2451 0.1415-0.0000 ( 3523 PWs) bands (ev): -9.1569 -9.1567 -8.5807 -8.5765 -8.5408 -8.5368 1.0106 1.0696 1.2239 1.2569 1.8177 1.8647 1.9717 1.9932 2.1644 2.1791 2.2507 2.2604 2.3899 2.4141 2.5225 2.7501 3.4460 3.5008 3.5410 3.6008 3.7202 3.7664 3.8547 3.8596 4.0274 4.0764 4.1430 4.2155 4.3819 4.4098 5.0477 5.1302 5.3701 5.4233 5.7150 5.8068 6.5440 6.5840 6.8737 6.8772 7.2255 7.2764 7.7279 7.8526 8.1583 8.2485 8.4809 8.4887 10.6792 10.6872 12.7789 12.8266 13.0251 13.0778 15.3582 15.4153 15.8101 15.8952 k = 0.2549 0.1472-0.0000 ( 3519 PWs) bands (ev): -9.1473 -9.1471 -8.5791 -8.5749 -8.5368 -8.5328 1.0116 1.0684 1.2259 1.2587 1.8236 1.8713 1.9698 1.9926 2.1629 2.1790 2.2533 2.2676 2.3916 2.4142 2.5334 2.7590 3.4470 3.5039 3.5444 3.6046 3.7262 3.7746 3.8679 3.8729 4.0303 4.0802 4.1492 4.2198 4.3869 4.4147 5.0441 5.1268 5.3712 5.4268 5.7154 5.8079 6.5502 6.6012 6.8601 6.8645 7.1804 7.2405 7.7175 7.8434 8.1552 8.2482 8.4821 8.4878 10.7437 10.7542 12.7849 12.8348 13.0549 13.1112 15.2925 15.3624 15.7768 15.8806 k = 0.2647 0.1528-0.0000 ( 3519 PWs) bands (ev): -9.1377 -9.1374 -8.5774 -8.5733 -8.5329 -8.5289 1.0126 1.0671 1.2279 1.2603 1.8283 1.8765 1.9668 1.9918 2.1614 2.1788 2.2565 2.2753 2.3929 2.4140 2.5448 2.7668 3.4484 3.5071 3.5484 3.6087 3.7334 3.7836 3.8814 3.8872 4.0341 4.0844 4.1562 4.2248 4.3923 4.4199 5.0420 5.1248 5.3714 5.4287 5.7181 5.8104 6.5539 6.6184 6.8424 6.8522 7.1350 7.2054 7.7099 7.8364 8.1530 8.2484 8.4813 8.4855 10.8105 10.8234 12.7864 12.8383 13.0824 13.1421 15.2197 15.3005 15.7357 15.8655 k = 0.2745 0.1585-0.0000 ( 3523 PWs) bands (ev): -9.1282 -9.1279 -8.5758 -8.5717 -8.5289 -8.5249 1.0138 1.0658 1.2298 1.2618 1.8315 1.8804 1.9629 1.9906 2.1598 2.1783 2.2602 2.2835 2.3940 2.4135 2.5567 2.7734 3.4501 3.5100 3.5531 3.6129 3.7418 3.7933 3.8950 3.9023 4.0387 4.0890 4.1640 4.2306 4.3983 4.4252 5.0416 5.1242 5.3705 5.4285 5.7230 5.8142 6.5542 6.6345 6.8212 6.8395 7.0908 7.1730 7.7050 7.8316 8.1516 8.2489 8.4787 8.4819 10.8794 10.8945 12.7834 12.8372 13.1075 13.1705 15.1406 15.2296 15.6881 15.8499 k = 0.2843 0.1641-0.0000 ( 3525 PWs) bands (ev): -9.1187 -9.1185 -8.5741 -8.5700 -8.5249 -8.5210 1.0150 1.0645 1.2318 1.2630 1.8333 1.8828 1.9582 1.9891 2.1583 2.1776 2.2643 2.2920 2.3947 2.4127 2.5692 2.7791 3.4520 3.5127 3.5583 3.6174 3.7513 3.8037 3.9090 3.9183 4.0442 4.0940 4.1726 4.2374 4.4048 4.4308 5.0430 5.1252 5.3683 5.4262 5.7300 5.8190 6.5500 6.6478 6.7969 6.8267 7.0498 7.1449 7.7024 7.8286 8.1510 8.2498 8.4740 8.4773 10.9498 10.9670 12.7760 12.8314 13.1303 13.1964 15.0564 15.1504 15.6355 15.8329 k = 0.2941 0.1698-0.0000 ( 3525 PWs) bands (ev): -9.1095 -9.1092 -8.5723 -8.5683 -8.5210 -8.5172 1.0163 1.0633 1.2337 1.2641 1.8336 1.8838 1.9529 1.9872 2.1567 2.1766 2.2688 2.3008 2.3952 2.4117 2.5823 2.7839 3.4542 3.5150 3.5640 3.6220 3.7618 3.8146 3.9235 3.9350 4.0505 4.0993 4.1819 4.2451 4.4118 4.4366 5.0461 5.1277 5.3646 5.4215 5.7390 5.8249 6.5399 6.6553 6.7703 6.8139 7.0148 7.1229 7.7018 7.8273 8.1511 8.2509 8.4675 8.4717 11.0215 11.0406 12.7642 12.8209 13.1508 13.2197 14.9682 15.0646 15.5787 15.8119 k = 0.3039 0.1755-0.0000 ( 3523 PWs) bands (ev): -9.1004 -9.1001 -8.5705 -8.5666 -8.5172 -8.5134 1.0177 1.0621 1.2356 1.2651 1.8325 1.8835 1.9470 1.9847 2.1551 2.1754 2.2735 2.3095 2.3955 2.4104 2.5961 2.7881 3.4566 3.5170 3.5701 3.6268 3.7732 3.8257 3.9386 3.9525 4.0576 4.1051 4.1918 4.2538 4.4192 4.4427 5.0511 5.1318 5.3591 5.4145 5.7498 5.8318 6.5230 6.6519 6.7441 6.8009 6.9891 7.1083 7.7028 7.8274 8.1518 8.2522 8.4596 8.4650 11.0940 11.1149 12.7484 12.8060 13.1690 13.2406 14.8772 14.9739 15.5182 15.7825 k = 0.3137 0.1811-0.0000 ( 3517 PWs) bands (ev): -9.0916 -9.0913 -8.5687 -8.5649 -8.5134 -8.5097 1.0192 1.0610 1.2375 1.2659 1.8302 1.8818 1.9408 1.9817 2.1534 2.1739 2.2784 2.3181 2.3957 2.4089 2.6107 2.7920 3.4592 3.5185 3.5765 3.6318 3.7852 3.8369 3.9546 3.9705 4.0656 4.1112 4.2025 4.2636 4.4270 4.4490 5.0580 5.1374 5.3518 5.4051 5.7622 5.8396 6.4987 6.6319 6.7226 6.7868 6.9758 7.1018 7.7053 7.8288 8.1531 8.2535 8.4505 8.4573 11.1670 11.1896 12.7287 12.7868 13.1850 13.2588 14.7847 14.8802 15.4540 15.7384 k = 0.3235 0.1868-0.0000 ( 3519 PWs) bands (ev): -9.0830 -9.0827 -8.5669 -8.5632 -8.5097 -8.5061 1.0207 1.0599 1.2393 1.2666 1.8268 1.8790 1.9345 1.9782 2.1518 2.1723 2.2832 2.3261 2.3960 2.4071 2.6259 2.7956 3.4618 3.5197 3.5830 3.6370 3.7976 3.8480 3.9715 3.9890 4.0744 4.1177 4.2139 4.2745 4.4352 4.4557 5.0669 5.1444 5.3425 5.3934 5.7758 5.8481 6.4672 6.5958 6.7057 6.7702 6.9764 7.1033 7.7089 7.8310 8.1548 8.2547 8.4405 8.4486 11.2401 11.2642 12.7057 12.7639 13.1987 13.2745 14.6918 14.7850 15.3861 15.6747 k = 0.3333 0.1925-0.0000 ( 3523 PWs) bands (ev): -9.0747 -9.0744 -8.5651 -8.5615 -8.5060 -8.5026 1.0223 1.0589 1.2410 1.2671 1.8224 1.8750 1.9281 1.9742 2.1501 2.1704 2.2878 2.3332 2.3963 2.4053 2.6419 2.7993 3.4646 3.5206 3.5896 3.6422 3.8101 3.8587 3.9893 4.0078 4.0841 4.1246 4.2262 4.2865 4.4436 4.4627 5.0776 5.1528 5.3311 5.3796 5.7905 5.8574 6.4292 6.5497 6.6901 6.7510 6.9891 7.1120 7.7134 7.8341 8.1570 8.2558 8.4297 8.4393 11.3130 11.3384 12.6798 12.7377 13.2101 13.2875 14.5993 14.6898 15.3148 15.5926 k = 0.3431 0.1981-0.0000 ( 3521 PWs) bands (ev): -9.0667 -9.0664 -8.5633 -8.5598 -8.5025 -8.4992 1.0239 1.0580 1.2427 1.2676 1.8173 1.8699 1.9218 1.9698 2.1483 2.1683 2.2922 2.3391 2.3967 2.4034 2.6584 2.8031 3.4674 3.5212 3.5962 3.6474 3.8226 3.8688 4.0079 4.0266 4.0947 4.1318 4.2396 4.2998 4.4520 4.4701 5.0901 5.1624 5.3174 5.3639 5.8060 5.8672 6.3860 6.4978 6.6738 6.7301 7.0109 7.1271 7.7186 7.8378 8.1594 8.2566 8.4183 8.4293 11.3852 11.4118 12.6516 12.7087 13.2191 13.2977 14.5081 14.5959 15.2408 15.4987 k = 0.3529 0.2038-0.0000 ( 3521 PWs) bands (ev): -9.0591 -9.0588 -8.5615 -8.5581 -8.4992 -8.4960 1.0256 1.0571 1.2444 1.2679 1.8116 1.8638 1.9158 1.9650 2.1466 2.1661 2.2962 2.3437 2.3969 2.4019 2.6753 2.8074 3.4702 3.5214 3.6029 3.6526 3.8349 3.8783 4.0270 4.0450 4.1064 4.1394 4.2544 4.3142 4.4606 4.4779 5.1044 5.1726 5.3016 5.3468 5.8220 5.8775 6.3388 6.4426 6.6565 6.7084 7.0389 7.1474 7.7244 7.8420 8.1621 8.2568 8.4065 8.4191 11.4564 11.4839 12.6220 12.6779 13.2257 13.3050 14.4193 14.5040 15.1650 15.3995 k = 0.3627 0.2094-0.0000 ( 3515 PWs) bands (ev): -9.0519 -9.0516 -8.5597 -8.5565 -8.4959 -8.4929 1.0273 1.0564 1.2460 1.2682 1.8055 1.8569 1.9103 1.9598 2.1449 2.1637 2.3000 2.3468 2.3962 2.4016 2.6926 2.8122 3.4731 3.5214 3.6094 3.6577 3.8467 3.8870 4.0461 4.0627 4.1191 4.1474 4.2709 4.3300 4.4690 4.4861 5.1203 5.1827 5.2838 5.3293 5.8383 5.8880 6.2891 6.3858 6.6386 6.6864 7.0708 7.1717 7.7306 7.8465 8.1649 8.2565 8.3944 8.4087 11.5260 11.5541 12.5918 12.6461 13.2297 13.3092 14.3335 14.4151 15.0882 15.2991 k = 0.3725 0.2151-0.0000 ( 3509 PWs) bands (ev): -9.0450 -9.0447 -8.5579 -8.5549 -8.4929 -8.4900 1.0290 1.0557 1.2476 1.2684 1.7991 1.8493 1.9051 1.9543 2.1432 2.1613 2.3034 2.3486 2.3944 2.4022 2.7100 2.8174 3.4758 3.5212 3.6159 3.6625 3.8580 3.8950 4.0646 4.0792 4.1326 4.1559 4.2896 4.3473 4.4774 4.4944 5.1372 5.1906 5.2644 5.3133 5.8545 5.8986 6.2378 6.3282 6.6204 6.6646 7.1052 7.1989 7.7372 7.8512 8.1678 8.2553 8.3824 8.3984 11.5935 11.6217 12.5621 12.6146 13.2307 13.3098 14.2516 14.3299 15.0117 15.2003 k = 0.3824 0.2208-0.0000 ( 3510 PWs) bands (ev): -9.0386 -9.0383 -8.5562 -8.5534 -8.4900 -8.4873 1.0308 1.0550 1.2491 1.2684 1.7928 1.8411 1.9005 1.9487 2.1415 2.1587 2.3066 2.3494 2.3923 2.4031 2.7272 2.8231 3.4786 3.5207 3.6223 3.6671 3.8686 3.9023 4.0818 4.0947 4.1465 4.1651 4.3109 4.3664 4.4857 4.5029 5.1536 5.1924 5.2448 5.3026 5.8705 5.9088 6.1861 6.2707 6.6022 6.6432 7.1409 7.2281 7.7440 7.8559 8.1706 8.2532 8.3705 8.3884 11.6581 11.6858 12.5341 12.5846 13.2285 13.3064 14.1745 14.2492 14.9365 15.1047 k = 0.3922 0.2264-0.0000 ( 3506 PWs) bands (ev): -9.0326 -9.0324 -8.5546 -8.5519 -8.4872 -8.4847 1.0325 1.0544 1.2506 1.2684 1.7866 1.8326 1.8964 1.9429 2.1399 2.1561 2.3094 2.3492 2.3901 2.4037 2.7442 2.8292 3.4812 3.5200 3.6286 3.6713 3.8785 3.9088 4.0970 4.1092 4.1599 4.1754 4.3349 4.3874 4.4939 4.5114 5.1644 5.1841 5.2302 5.3019 5.8857 5.9181 6.1354 6.2137 6.5843 6.6224 7.1771 7.2585 7.7511 7.8605 8.1734 8.2501 8.3591 8.3788 11.7188 11.7454 12.5095 12.5580 13.2224 13.2984 14.1031 14.1736 14.8636 15.0135 k = 0.4020 0.2321-0.0000 ( 3506 PWs) bands (ev): -9.0271 -9.0269 -8.5530 -8.5506 -8.4847 -8.4824 1.0342 1.0539 1.2520 1.2684 1.7807 1.8240 1.8929 1.9370 2.1384 2.1535 2.3120 2.3485 2.3880 2.4039 2.7607 2.8355 3.4838 3.5192 3.6348 3.6750 3.8876 3.9147 4.1100 4.1226 4.1719 4.1868 4.3620 4.4107 4.5020 4.5196 5.1562 5.1666 5.2317 5.3117 5.8991 5.9259 6.0872 6.1581 6.5670 6.6023 7.2130 7.2890 7.7585 7.8648 8.1759 8.2460 8.3484 8.3700 11.7745 11.7989 12.4899 12.5368 13.2120 13.2853 14.0384 14.1038 14.7940 14.9274 k = 0.4118 0.2377-0.0000 ( 3502 PWs) bands (ev): -9.0221 -9.0218 -8.5515 -8.5493 -8.4823 -8.4803 1.0359 1.0534 1.2534 1.2682 1.7753 1.8154 1.8899 1.9311 2.1371 2.1509 2.3144 2.3473 2.3861 2.4035 2.7766 2.8418 3.4863 3.5182 3.6407 3.6783 3.8960 3.9199 4.1212 4.1346 4.1827 4.1987 4.3920 4.4364 4.5100 4.5275 5.1310 5.1418 5.2492 5.3289 5.9076 5.9314 6.0451 6.1044 6.5505 6.5831 7.2480 7.3189 7.7663 7.8687 8.1781 8.2408 8.3385 8.3618 11.8236 11.8449 12.4773 12.5233 13.1965 13.2664 13.9813 14.0407 14.7287 14.8470 k = 0.4216 0.2434-0.0000 ( 3502 PWs) bands (ev): -9.0176 -9.0173 -8.5501 -8.5481 -8.4802 -8.4783 1.0375 1.0529 1.2548 1.2680 1.7703 1.8070 1.8874 1.9253 2.1359 2.1484 2.3165 2.3458 2.3845 2.4025 2.7915 2.8478 3.4887 3.5171 3.6465 3.6810 3.9035 3.9245 4.1310 4.1447 4.1927 4.2098 4.4246 4.4644 4.5179 4.5353 5.0991 5.1111 5.2735 5.3506 5.9020 5.9364 6.0148 6.0549 6.5351 6.5649 7.2816 7.3473 7.7744 7.8719 8.1800 8.2348 8.3298 8.3544 11.8646 11.8818 12.4737 12.5198 13.1752 13.2414 13.9322 13.9849 14.6684 14.7728 k = 0.4314 0.2491-0.0000 ( 3506 PWs) bands (ev): -9.0135 -9.0133 -8.5489 -8.5471 -8.4783 -8.4767 1.0391 1.0524 1.2561 1.2677 1.7661 1.7989 1.8855 1.9197 2.1348 2.1460 2.3186 2.3441 2.3832 2.4011 2.8054 2.8534 3.4911 3.5159 3.6521 3.6832 3.9103 3.9283 4.1397 4.1531 4.2020 4.2197 4.4595 4.4938 4.5259 4.5435 5.0636 5.0768 5.3008 5.3753 5.8769 5.9374 5.9967 6.0181 6.5210 6.5479 7.3133 7.3735 7.7830 7.8743 8.1815 8.2282 8.3224 8.3477 11.8962 11.9089 12.4806 12.5280 13.1476 13.2102 13.8915 13.9369 14.6139 14.7052 k = 0.4412 0.2547-0.0000 ( 3510 PWs) bands (ev): -9.0100 -9.0098 -8.5477 -8.5462 -8.4766 -8.4752 1.0406 1.0519 1.2573 1.2673 1.7626 1.7913 1.8842 1.9142 2.1340 2.1437 2.3205 2.3423 2.3823 2.3993 2.8182 2.8584 3.4933 3.5146 3.6574 3.6848 3.9163 3.9316 4.1473 4.1598 4.2106 4.2280 4.4952 4.5211 4.5349 4.5554 5.0255 5.0398 5.3301 5.4020 5.8404 5.9176 5.9858 6.0080 6.5085 6.5323 7.3426 7.3968 7.7921 7.8756 8.1826 8.2213 8.3166 8.3415 11.9181 11.9265 12.4986 12.5481 13.1136 13.1731 13.8590 13.8969 14.5659 14.6446 k = 0.4510 0.2604-0.0000 ( 3494 PWs) bands (ev): -9.0070 -9.0069 -8.5467 -8.5454 -8.4751 -8.4739 1.0420 1.0514 1.2585 1.2669 1.7599 1.7843 1.8836 1.9091 2.1334 2.1416 2.3223 2.3405 2.3819 2.3972 2.8296 2.8625 3.4955 3.5132 3.6624 3.6857 3.9216 3.9342 4.1540 4.1651 4.2184 4.2345 4.5245 4.5387 4.5505 4.5795 4.9854 5.0009 5.3608 5.4300 5.8007 5.8786 5.9886 6.0090 6.4979 6.5183 7.3691 7.4165 7.8018 7.8756 8.1834 8.2145 8.3123 8.3358 11.9312 11.9361 12.5272 12.5788 13.0738 13.1311 13.8341 13.8648 14.5252 14.5913 k = 0.4608 0.2660-0.0000 ( 3490 PWs) bands (ev): -9.0046 -9.0044 -8.5458 -8.5448 -8.4739 -8.4729 1.0434 1.0508 1.2597 1.2664 1.7581 1.7779 1.8835 1.9042 2.1331 2.1397 2.3241 2.3386 2.3818 2.3949 2.8397 2.8656 3.4975 3.5117 3.6670 3.6860 3.9260 3.9361 4.1597 4.1690 4.2254 4.2392 4.5367 4.5463 4.5846 4.6139 4.9439 4.9605 5.3924 5.4580 5.7618 5.8356 5.9955 6.0119 6.4892 6.5060 7.3924 7.4320 7.8119 7.8741 8.1840 8.2079 8.3097 8.3305 11.9375 11.9400 12.5645 12.6175 13.0294 13.0849 13.8160 13.8398 14.4923 14.5458 k = 0.4706 0.2717-0.0000 ( 3496 PWs) bands (ev): -9.0026 -9.0026 -8.5451 -8.5443 -8.4729 -8.4722 1.0447 1.0502 1.2607 1.2658 1.7572 1.7722 1.8841 1.8998 2.1330 2.1380 2.3259 2.3367 2.3823 2.3925 2.8482 2.8675 3.4995 3.5102 3.6712 3.6856 3.9298 3.9373 4.1645 4.1716 4.2313 4.2423 4.5428 4.5501 4.6252 4.6520 4.9016 4.9191 5.4242 5.4843 5.7269 5.7935 6.0025 6.0148 6.4828 6.4957 7.4123 7.4431 7.8223 7.8710 8.1847 8.2020 8.3087 8.3256 11.9392 11.9405 12.6082 12.6608 12.9826 13.0360 13.8036 13.8211 14.4678 14.5083 k = 0.4804 0.2774-0.0000 ( 3498 PWs) bands (ev): -9.0013 -9.0012 -8.5446 -8.5440 -8.4722 -8.4717 1.0458 1.0495 1.2617 1.2651 1.7573 1.7674 1.8852 1.8958 2.1331 2.1365 2.3276 2.3348 2.3832 2.3902 2.8553 2.8680 3.5014 3.5085 3.6749 3.6847 3.9328 3.9378 4.1683 4.1731 4.2362 4.2438 4.5471 4.5520 4.6671 4.6911 4.8596 4.8776 5.4553 5.5050 5.7003 5.7545 6.0085 6.0167 6.4788 6.4875 7.4283 7.4494 7.8326 7.8662 8.1856 8.1969 8.3091 8.3210 11.9388 11.9396 12.6549 12.7033 12.9379 12.9863 13.7962 13.8078 14.4519 14.4792 k = 0.4902 0.2830-0.0000 ( 3498 PWs) bands (ev): -9.0004 -9.0004 -8.5442 -8.5439 -8.4717 -8.4714 1.0469 1.0487 1.2627 1.2644 1.7584 1.7635 1.8870 1.8923 2.1335 2.1352 2.3294 2.3329 2.3844 2.3880 2.8608 2.8671 3.5033 3.5069 3.6782 3.6831 3.9351 3.9376 4.1710 4.1735 4.2400 4.2439 4.5501 4.5526 4.7078 4.7268 4.8217 4.8378 5.4837 5.5136 5.6886 5.7208 6.0131 6.0171 6.4772 6.4816 7.4403 7.4510 7.8426 7.8597 8.1871 8.1927 8.3108 8.3169 11.9380 11.9384 12.6999 12.7340 12.9061 12.9400 13.7933 13.7990 14.4451 14.4589 k = 0.5000 0.2887-0.0000 ( 3496 PWs) bands (ev): -9.0001 -9.0001 -8.5439 -8.5439 -8.4714 -8.4714 1.0478 1.0478 1.2636 1.2636 1.7605 1.7605 1.8894 1.8894 2.1343 2.1343 2.3311 2.3311 2.3861 2.3861 2.8647 2.8647 3.5051 3.5051 3.6809 3.6809 3.9367 3.9367 4.1728 4.1728 4.2426 4.2426 4.5519 4.5519 4.7378 4.7378 4.8089 4.8089 5.5053 5.5053 5.6966 5.6966 6.0160 6.0160 6.4782 6.4782 7.4479 7.4479 7.8517 7.8517 8.1895 8.1895 8.3135 8.3135 11.9377 11.9377 12.7328 12.7328 12.9068 12.9068 13.7942 13.7942 14.4474 14.4474 k = 0.5000 0.2887-0.0000 ( 3496 PWs) bands (ev): -9.0001 -9.0001 -8.5439 -8.5439 -8.4714 -8.4714 1.0478 1.0478 1.2636 1.2636 1.7605 1.7605 1.8894 1.8894 2.1343 2.1343 2.3311 2.3311 2.3861 2.3861 2.8647 2.8647 3.5051 3.5051 3.6809 3.6809 3.9367 3.9367 4.1728 4.1728 4.2426 4.2426 4.5519 4.5519 4.7378 4.7378 4.8089 4.8089 5.5053 5.5053 5.6966 5.6966 6.0160 6.0160 6.4782 6.4782 7.4479 7.4479 7.8517 7.8517 8.1895 8.1895 8.3135 8.3135 11.9377 11.9377 12.7328 12.7328 12.9068 12.9068 13.7942 13.7942 14.4474 14.4474 k = 0.4944 0.2983-0.0000 ( 3502 PWs) bands (ev): -9.0000 -9.0000 -8.5440 -8.5438 -8.4716 -8.4714 1.0478 1.0480 1.2598 1.2674 1.7606 1.7610 1.8882 1.8916 2.1342 2.1348 2.3281 2.3343 2.3855 2.3870 2.8639 2.8644 3.5008 3.5090 3.6771 3.6842 3.9365 3.9370 4.1713 4.1735 4.2398 4.2438 4.5492 4.5509 4.7299 4.7381 4.8112 4.8196 5.5053 5.5062 5.6954 5.6986 6.0172 6.0179 6.4759 6.4767 7.4456 7.4525 7.8489 7.8541 8.1871 8.1878 8.3108 8.3133 11.9396 11.9416 12.7352 12.7360 12.9070 12.9078 13.7942 13.7957 14.4449 14.4495 k = 0.4889 0.3079-0.0000 ( 3506 PWs) bands (ev): -8.9997 -8.9997 -8.5438 -8.5435 -8.4718 -8.4714 1.0478 1.0483 1.2560 1.2713 1.7615 1.7622 1.8882 1.8949 2.1346 2.1358 2.3253 2.3376 2.3853 2.3882 2.8619 2.8629 3.4961 3.5125 3.6729 3.6871 3.9363 3.9373 4.1690 4.1734 4.2354 4.2435 4.5430 4.5462 4.7187 4.7309 4.8258 4.8384 5.5061 5.5081 5.6949 5.7011 6.0215 6.0232 6.4699 6.4716 7.4453 7.4592 7.8456 7.8560 8.1807 8.1821 8.3054 8.3103 11.9473 11.9513 12.7431 12.7448 12.9085 12.9102 13.7958 13.7988 14.4418 14.4510 k = 0.4833 0.3175-0.0000 ( 3502 PWs) bands (ev): -8.9992 -8.9991 -8.5435 -8.5430 -8.4721 -8.4716 1.0480 1.0487 1.2523 1.2752 1.7629 1.7642 1.8893 1.8992 2.1355 2.1372 2.3227 2.3410 2.3855 2.3897 2.8588 2.8603 3.4911 3.5155 3.6684 3.6894 3.9362 3.9377 4.1658 4.1723 4.2298 4.2419 4.5338 4.5384 4.7070 4.7204 4.8482 4.8621 5.5078 5.5108 5.6953 5.7042 6.0289 6.0316 6.4605 6.4629 7.4466 7.4679 7.8417 7.8577 8.1705 8.1727 8.2975 8.3046 11.9606 11.9666 12.7563 12.7591 12.9113 12.9139 13.7988 13.8034 14.4383 14.4520 k = 0.4778 0.3272-0.0000 ( 3506 PWs) bands (ev): -8.9984 -8.9984 -8.5431 -8.5424 -8.4725 -8.4718 1.0483 1.0491 1.2487 1.2791 1.7650 1.7670 1.8915 1.9043 2.1369 2.1391 2.3204 2.3445 2.3862 2.3914 2.8546 2.8566 3.4857 3.5179 3.6635 3.6913 3.9361 3.9381 4.1614 4.1699 4.2237 4.2394 4.5222 4.5281 4.6954 4.7089 4.8752 4.8893 5.5104 5.5145 5.6965 5.7076 6.0392 6.0431 6.4481 6.4511 7.4487 7.4780 7.8370 7.8591 8.1567 8.1597 8.2873 8.2965 11.9795 11.9874 12.7746 12.7788 12.9153 12.9190 13.8034 13.8094 14.4341 14.4524 k = 0.4722 0.3368-0.0000 ( 3504 PWs) bands (ev): -8.9974 -8.9974 -8.5425 -8.5416 -8.4730 -8.4721 1.0487 1.0497 1.2452 1.2830 1.7677 1.7706 1.8948 1.9101 2.1388 2.1413 2.3183 2.3480 2.3875 2.3934 2.8494 2.8518 3.4801 3.5198 3.6584 3.6928 3.9360 3.9385 4.1558 4.1657 4.2178 4.2364 4.5090 4.5158 4.6839 4.6972 4.9054 4.9193 5.5137 5.5191 5.6986 5.7112 6.0523 6.0576 6.4331 6.4366 7.4508 7.4886 7.8316 7.8604 8.1400 8.1438 8.2752 8.2863 12.0038 12.0135 12.7974 12.8036 12.9205 12.9257 13.8095 13.8169 14.4293 14.4521 k = 0.4667 0.3464-0.0000 ( 3514 PWs) bands (ev): -8.9963 -8.9962 -8.5418 -8.5407 -8.4735 -8.4725 1.0491 1.0504 1.2418 1.2868 1.7711 1.7749 1.8990 1.9166 2.1410 2.1439 2.3164 2.3514 2.3895 2.3955 2.8432 2.8459 3.4741 3.5210 3.6532 3.6939 3.9359 3.9388 4.1489 4.1591 4.2130 4.2332 4.4946 4.5023 4.6723 4.6852 4.9381 4.9515 5.5179 5.5246 5.7013 5.7150 6.0680 6.0749 6.4160 6.4197 7.4519 7.4989 7.8252 7.8615 8.1211 8.1255 8.2618 8.2742 12.0332 12.0446 12.8242 12.8332 12.9271 12.9344 13.8170 13.8257 14.4239 14.4511 k = 0.4611 0.3560-0.0000 ( 3508 PWs) bands (ev): -8.9949 -8.9948 -8.5409 -8.5397 -8.4742 -8.4730 1.0496 1.0511 1.2385 1.2906 1.7750 1.7802 1.9041 1.9237 2.1437 2.1468 2.3148 2.3546 2.3922 2.3979 2.8360 2.8391 3.4680 3.5215 3.6481 3.6946 3.9359 3.9392 4.1406 4.1502 4.2096 4.2302 4.4795 4.4881 4.6604 4.6728 4.9728 4.9857 5.5228 5.5311 5.7047 5.7189 6.0860 6.0945 6.3973 6.4009 7.4507 7.5077 7.8178 7.8624 8.1010 8.1057 8.2474 8.2607 12.0674 12.0806 12.8538 12.8671 12.9352 12.9457 13.8259 13.8360 14.4177 14.4493 k = 0.4556 0.3657-0.0000 ( 3512 PWs) bands (ev): -8.9934 -8.9933 -8.5400 -8.5385 -8.4749 -8.4735 1.0502 1.0519 1.2354 1.2944 1.7796 1.7862 1.9101 1.9311 2.1468 2.1499 2.3135 2.3574 2.3958 2.4003 2.8281 2.8313 3.4617 3.5212 3.6432 3.6950 3.9358 3.9394 4.1311 4.1394 4.2076 4.2275 4.4640 4.4735 4.6482 4.6601 5.0091 5.0215 5.5285 5.5386 5.7086 5.7228 6.1061 6.1160 6.3778 6.3808 7.4463 7.5135 7.8093 7.8627 8.0808 8.0853 8.2326 8.2461 12.1063 12.1210 12.8841 12.9039 12.9457 12.9612 13.8362 13.8475 14.4107 14.4465 k = 0.4500 0.3753-0.0000 ( 3512 PWs) bands (ev): -8.9917 -8.9916 -8.5388 -8.5372 -8.4757 -8.4741 1.0508 1.0528 1.2323 1.2981 1.7848 1.7931 1.9167 1.9388 2.1501 2.1533 2.3126 2.3598 2.4003 2.4029 2.8194 2.8227 3.4553 3.5200 3.6386 3.6952 3.9356 3.9396 4.1206 4.1272 4.2068 4.2252 4.4485 4.4589 4.6354 4.6468 5.0466 5.0586 5.5349 5.5471 5.7130 5.7268 6.1280 6.1389 6.3579 6.3598 7.4374 7.5148 7.7997 7.8620 8.0618 8.0657 8.2180 8.2309 12.1494 12.1657 12.9121 12.9374 12.9644 12.9836 13.8478 13.8602 14.4028 14.4427 k = 0.4444 0.3849-0.0000 ( 3512 PWs) bands (ev): -8.9899 -8.9898 -8.5376 -8.5358 -8.4765 -8.4748 1.0514 1.0536 1.2295 1.3017 1.7906 1.8007 1.9239 1.9467 2.1536 2.1568 2.3121 2.3617 2.4055 2.4058 2.8101 2.8133 3.4488 3.5178 3.6346 3.6951 3.9353 3.9395 4.1093 4.1145 4.2067 4.2233 4.4330 4.4444 4.6222 4.6331 5.0851 5.0969 5.5421 5.5566 5.7178 5.7308 6.1513 6.1623 6.3383 6.3387 7.4234 7.5101 7.7893 7.8594 8.0454 8.0483 8.2042 8.2155 12.1964 12.2142 12.9347 12.9563 13.0021 13.0154 13.8607 13.8742 14.3939 14.4377 k = 0.4389 0.3945-0.0000 ( 3512 PWs) bands (ev): -8.9879 -8.9878 -8.5362 -8.5343 -8.4774 -8.4756 1.0521 1.0545 1.2268 1.3052 1.7970 1.8091 1.9315 1.9546 2.1573 2.1604 2.3120 2.3633 2.4082 2.4122 2.8002 2.8033 3.4423 3.5145 3.6313 3.6950 3.9347 3.9390 4.0977 4.1016 4.2072 4.2218 4.4177 4.4305 4.6086 4.6190 5.1243 5.1361 5.5500 5.5673 5.7229 5.7348 6.1753 6.1847 6.3171 6.3215 7.4036 7.4979 7.7784 7.8539 8.0323 8.0346 8.1916 8.2004 12.2470 12.2662 12.9529 12.9696 13.0490 13.0550 13.8748 13.8893 14.3841 14.4314 k = 0.4333 0.4041-0.0000 ( 3508 PWs) bands (ev): -8.9858 -8.9857 -8.5348 -8.5327 -8.4784 -8.4764 1.0528 1.0554 1.2243 1.3086 1.8040 1.8182 1.9395 1.9624 2.1609 2.1641 2.3124 2.3646 2.4108 2.4193 2.7900 2.7927 3.4358 3.5103 3.6287 3.6947 3.9337 3.9382 4.0860 4.0891 4.2080 4.2206 4.4027 4.4170 4.5947 4.6045 5.1640 5.1759 5.5587 5.5790 5.7283 5.7389 6.1989 6.2033 6.2970 6.3091 7.3778 7.4773 7.7675 7.8450 8.0231 8.0253 8.1807 8.1861 12.3009 12.3214 12.9687 12.9826 13.0994 13.0997 13.8901 13.9055 14.3733 14.4239 k = 0.4278 0.4138-0.0000 ( 3504 PWs) bands (ev): -8.9837 -8.9835 -8.5332 -8.5309 -8.4794 -8.4772 1.0535 1.0563 1.2219 1.3118 1.8114 1.8278 1.9477 1.9700 2.1644 2.1677 2.3134 2.3655 2.4134 2.4271 2.7795 2.7817 3.4294 3.5052 3.6270 3.6945 3.9322 3.9368 4.0747 4.0775 4.2092 4.2198 4.3882 4.4043 4.5805 4.5898 5.2039 5.2162 5.5681 5.5919 5.7339 5.7431 6.2129 6.2189 6.2815 6.3063 7.3460 7.4482 7.7570 7.8328 8.0175 8.0204 8.1721 8.1730 12.3575 12.3794 12.9837 12.9961 13.1473 13.1519 13.9066 13.9228 14.3618 14.4150 k = 0.4222 0.4234-0.0000 ( 3498 PWs) bands (ev): -8.9814 -8.9813 -8.5316 -8.5291 -8.4805 -8.4782 1.0541 1.0571 1.2198 1.3149 1.8193 1.8380 1.9561 1.9773 2.1675 2.1714 2.3148 2.3662 2.4158 2.4354 2.7688 2.7705 3.4232 3.4992 3.6261 3.6942 3.9299 3.9347 4.0640 4.0670 4.2105 4.2193 4.3741 4.3922 4.5662 4.5749 5.2438 5.2568 5.5782 5.6059 5.7397 5.7474 6.2106 6.2247 6.2807 6.3161 7.3084 7.4112 7.7471 7.8178 8.0147 8.0191 8.1617 8.1660 12.4167 12.4399 12.9985 13.0101 13.1964 13.2053 13.9242 13.9410 14.3496 14.4049 k = 0.4167 0.4330-0.0000 ( 3490 PWs) bands (ev): -8.9791 -8.9790 -8.5299 -8.5273 -8.4817 -8.4791 1.0548 1.0578 1.2178 1.3179 1.8275 1.8485 1.9646 1.9843 2.1703 2.1749 2.3168 2.3666 2.4182 2.4441 2.7582 2.7591 3.4172 3.4925 3.6259 3.6940 3.9268 3.9318 4.0544 4.0579 4.2119 4.2191 4.3607 4.3809 4.5519 4.5600 5.2835 5.2974 5.5891 5.6210 5.7457 5.7518 6.2000 6.2132 6.2978 6.3344 7.2657 7.3673 7.7377 7.8014 8.0137 8.0200 8.1525 8.1626 12.4779 12.5025 13.0133 13.0247 13.2460 13.2589 13.9429 13.9603 14.3371 14.3937 k = 0.4111 0.4426-0.0000 ( 3484 PWs) bands (ev): -8.9768 -8.9767 -8.5281 -8.5253 -8.4828 -8.4801 1.0555 1.0585 1.2160 1.3207 1.8360 1.8593 1.9730 1.9909 2.1724 2.1781 2.3194 2.3669 2.4203 2.4530 2.7477 2.7477 3.4115 3.4853 3.6265 3.6939 3.9226 3.9280 4.0461 4.0504 4.2134 4.2193 4.3478 4.3704 4.5377 4.5453 5.3227 5.3378 5.6008 5.6371 5.7519 5.7562 6.1862 6.1958 6.3211 6.3561 7.2186 7.3178 7.7288 7.7844 8.0134 8.0222 8.1459 8.1620 12.5408 12.5669 13.0284 13.0399 13.2948 13.3116 13.9627 13.9805 14.3250 14.3819 k = 0.4056 0.4523-0.0000 ( 3484 PWs) bands (ev): -8.9745 -8.9744 -8.5263 -8.5233 -8.4840 -8.4812 1.0561 1.0592 1.2144 1.3233 1.8447 1.8702 1.9815 1.9971 2.1738 2.1811 2.3225 2.3670 2.4224 2.4621 2.7365 2.7376 3.4062 3.4777 3.6277 3.6939 3.9175 3.9235 4.0393 4.0445 4.2149 4.2198 4.3356 4.3606 4.5238 4.5307 5.3613 5.3777 5.6132 5.6541 5.7582 5.7607 6.1716 6.1774 6.3457 6.3785 7.1677 7.2640 7.7205 7.7678 8.0131 8.0249 8.1419 8.1637 12.6048 12.6325 13.0436 13.0555 13.3421 13.3623 13.9836 14.0017 14.3138 14.3698 k = 0.4000 0.4619-0.0000 ( 3480 PWs) bands (ev): -8.9722 -8.9721 -8.5244 -8.5213 -8.4853 -8.4823 1.0567 1.0597 1.2129 1.3257 1.8534 1.8810 1.9899 2.0030 2.1743 2.1837 2.3261 2.3670 2.4242 2.4713 2.7255 2.7278 3.4014 3.4698 3.6295 3.6939 3.9114 3.9183 4.0340 4.0402 4.2164 4.2207 4.3240 4.3515 4.5102 4.5165 5.3990 5.4170 5.6263 5.6718 5.7647 5.7653 6.1574 6.1592 6.3701 6.4001 7.1139 7.2070 7.7128 7.7520 8.0124 8.0279 8.1404 8.1672 12.6697 12.6990 13.0591 13.0716 13.3865 13.4098 14.0055 14.0236 14.3047 14.3584 k = 0.3944 0.4715-0.0000 ( 3488 PWs) bands (ev): -8.9700 -8.9699 -8.5225 -8.5193 -8.4866 -8.4834 1.0572 1.0602 1.2117 1.3280 1.8621 1.8914 1.9983 2.0086 2.1739 2.1859 2.3301 2.3670 2.4259 2.4802 2.7151 2.7185 3.3971 3.4619 3.6319 3.6940 3.9046 3.9126 4.0303 4.0374 4.2179 4.2219 4.3132 4.3431 4.4972 4.5028 5.4357 5.4553 5.6400 5.6900 5.7698 5.7714 6.1419 6.1442 6.3938 6.4204 7.0579 7.1477 7.7060 7.7377 8.0110 8.0313 8.1407 8.1719 12.7347 12.7659 13.0746 13.0880 13.4271 13.4524 14.0287 14.0463 14.2988 14.3488 k = 0.3889 0.4811-0.0000 ( 3488 PWs) bands (ev): -8.9678 -8.9677 -8.5206 -8.5172 -8.4878 -8.4845 1.0577 1.0606 1.2106 1.3300 1.8706 1.9013 2.0066 2.0140 2.1725 2.1875 2.3344 2.3668 2.4274 2.4890 2.7052 2.7098 3.3933 3.4540 3.6349 3.6941 3.8976 3.9066 4.0278 4.0357 4.2194 4.2235 4.3031 4.3354 4.4848 4.4897 5.4712 5.4923 5.6543 5.7082 5.7742 5.7783 6.1258 6.1323 6.4164 6.4387 7.0006 7.0871 7.7000 7.7250 8.0095 8.0351 8.1423 8.1771 12.7993 12.8327 13.0903 13.1046 13.4625 13.4885 14.0533 14.0697 14.2976 14.3421 k = 0.3833 0.4907-0.0000 ( 3490 PWs) bands (ev): -8.9658 -8.9657 -8.5187 -8.5151 -8.4892 -8.4857 1.0582 1.0609 1.2096 1.3318 1.8789 1.9103 2.0148 2.0194 2.1701 2.1884 2.3389 2.3667 2.4288 2.4973 2.6961 2.7018 3.3902 3.4462 3.6383 3.6941 3.8905 3.9007 4.0264 4.0350 4.2208 4.2254 4.2937 4.3284 4.4732 4.4773 5.5052 5.5276 5.6692 5.7259 5.7784 5.7855 6.1112 6.1220 6.4378 6.4550 6.9428 7.0260 7.6951 7.7141 8.0080 8.0397 8.1442 8.1822 12.8629 12.8987 13.1060 13.1215 13.4913 13.5164 14.0797 14.0935 14.3022 14.3401 k = 0.3778 0.5004-0.0000 ( 3486 PWs) bands (ev): -8.9638 -8.9637 -8.5167 -8.5131 -8.4905 -8.4869 1.0586 1.0612 1.2088 1.3335 1.8867 1.9183 2.0229 2.0248 2.1666 2.1887 2.3434 2.3666 2.4300 2.5051 2.6878 2.6946 3.3877 3.4387 3.6421 3.6939 3.8839 3.8950 4.0258 4.0350 4.2222 4.2275 4.2851 4.3221 4.4624 4.4658 5.5376 5.5610 5.6845 5.7422 5.7824 5.7932 6.0985 6.1135 6.4581 6.4690 6.8853 6.9652 7.6912 7.7051 8.0070 8.0452 8.1460 8.1866 12.9247 12.9632 13.1218 13.1388 13.5126 13.5349 14.1085 14.1179 14.3136 14.3441 k = 0.3722 0.5100-0.0000 ( 3486 PWs) bands (ev): -8.9620 -8.9620 -8.5148 -8.5110 -8.4919 -8.4881 1.0590 1.0614 1.2081 1.3349 1.8942 1.9249 2.0305 2.0309 2.1623 2.1883 2.3478 2.3666 2.4312 2.5122 2.6805 2.6880 3.3860 3.4314 3.6464 3.6936 3.8780 3.8895 4.0258 4.0355 4.2236 4.2298 4.2772 4.3165 4.4526 4.4551 5.5683 5.5918 5.7002 5.7563 5.7860 5.8014 6.0879 6.1068 6.4772 6.4808 6.8290 6.9055 7.6883 7.6980 8.0067 8.0519 8.1470 8.1899 12.9835 13.0249 13.1382 13.1566 13.5252 13.5432 14.1406 14.1430 14.3318 14.3552 k = 0.3667 0.5196-0.0000 ( 3484 PWs) bands (ev): -8.9604 -8.9604 -8.5130 -8.5090 -8.4932 -8.4894 1.0594 1.0615 1.2076 1.3362 1.9011 1.9300 2.0364 2.0385 2.1572 2.1873 2.3521 2.3666 2.4322 2.5187 2.6743 2.6822 3.3849 3.4246 3.6510 3.6929 3.8730 3.8845 4.0263 4.0364 4.2250 4.2321 4.2700 4.3117 4.4439 4.4455 5.5969 5.6198 5.7159 5.7677 5.7892 5.8098 6.0800 6.1018 6.4904 6.4953 6.7750 6.8478 7.6864 7.6926 8.0075 8.0597 8.1468 8.1917 13.0380 13.0814 13.1567 13.1756 13.5289 13.5415 14.1695 14.1764 14.3559 14.3736 k = 0.3611 0.5292-0.0000 ( 3480 PWs) bands (ev): -8.9590 -8.9589 -8.5112 -8.5071 -8.4946 -8.4906 1.0598 1.0615 1.2071 1.3372 1.9075 1.9336 2.0423 2.0458 2.1515 2.1857 2.3559 2.3667 2.4332 2.5242 2.6691 2.6772 3.3846 3.4181 3.6559 3.6918 3.8690 3.8800 4.0269 4.0374 4.2265 4.2343 4.2635 4.3078 4.4362 4.4371 5.6233 5.6443 5.7313 5.7761 5.7919 5.8175 6.0750 6.0983 6.4979 6.5127 6.7246 6.7931 7.6853 7.6888 8.0093 8.0688 8.1451 8.1920 13.0859 13.1261 13.1830 13.1972 13.5238 13.5308 14.1984 14.2164 14.3843 14.3989 k = 0.3556 0.5389-0.0000 ( 3478 PWs) bands (ev): -8.9578 -8.9577 -8.5094 -8.5052 -8.4959 -8.4918 1.0601 1.0615 1.2068 1.3381 1.9132 1.9355 2.0482 2.0525 2.1456 2.1838 2.3594 2.3668 2.4340 2.5289 2.6652 2.6729 3.3851 3.4122 3.6609 3.6903 3.8662 3.8759 4.0277 4.0385 4.2282 4.2363 4.2576 4.3048 4.4298 4.4299 5.6471 5.6651 5.7459 5.7820 5.7943 5.8232 6.0731 6.0959 6.5036 6.5295 6.6792 6.7425 7.6848 7.6863 8.0122 8.0791 8.1419 8.1905 13.1242 13.1522 13.2230 13.2233 13.5108 13.5127 14.2306 14.2605 14.4142 14.4297 k = 0.3500 0.5485-0.0000 ( 3482 PWs) bands (ev): -8.9568 -8.9568 -8.5078 -8.5035 -8.4973 -8.4930 1.0603 1.0615 1.2065 1.3388 1.9184 1.9361 2.0537 2.0582 2.1399 2.1817 2.3622 2.3670 2.4348 2.5325 2.6625 2.6692 3.3862 3.4067 3.6659 3.6883 3.8646 3.8724 4.0285 4.0395 4.2302 4.2379 4.2524 4.3028 4.4242 4.4247 5.6677 5.6816 5.7590 5.7861 5.7966 5.8258 6.0742 6.0941 6.5072 6.5461 6.6409 6.6973 7.6847 7.6849 8.0160 8.0904 8.1373 8.1872 13.1511 13.1666 13.2544 13.2685 13.4893 13.4911 14.2669 14.3083 14.4414 14.4639 k = 0.3444 0.5581-0.0000 ( 3482 PWs) bands (ev): -8.9561 -8.9561 -8.5064 -8.5019 -8.4985 -8.4942 1.0606 1.0614 1.2064 1.3392 1.9231 1.9353 2.0585 2.0625 2.1350 2.1799 2.3645 2.3670 2.4353 2.5351 2.6611 2.6662 3.3881 3.4018 3.6708 3.6858 3.8640 3.8694 4.0292 4.0403 4.2324 4.2392 4.2476 4.3015 4.4201 4.4209 5.6842 5.6934 5.7702 5.7887 5.7988 5.8251 6.0775 6.0922 6.5085 6.5624 6.6119 6.6591 7.6843 7.6848 8.0202 8.1021 8.1315 8.1826 13.1682 13.1757 13.2872 13.3119 13.4633 13.4668 14.3074 14.3588 14.4593 14.4974 k = 0.3389 0.5677-0.0000 ( 3484 PWs) bands (ev): -8.9556 -8.9556 -8.5052 -8.5006 -8.4995 -8.4951 1.0608 1.0612 1.2063 1.3395 1.9271 1.9334 2.0622 2.0647 2.1317 2.1786 2.3660 2.3670 2.4357 2.5366 2.6609 2.6638 3.3906 3.3975 3.6754 3.6828 3.8643 3.8671 4.0297 4.0408 4.2349 4.2400 4.2434 4.3009 4.4177 4.4184 5.6957 5.7000 5.7795 5.7898 5.8004 5.8220 6.0819 6.0897 6.5078 6.5777 6.5940 6.6306 7.6842 7.6848 8.0239 8.1130 8.1254 8.1776 13.1780 13.1808 13.3153 13.3489 13.4392 13.4412 14.3519 14.4040 14.4642 14.5183 k = 0.3333 0.5774-0.0000 ( 3492 PWs) bands (ev): -8.9555 -8.9555 -8.5048 -8.5001 -8.5001 -8.4956 1.0610 1.0610 1.2062 1.3396 1.9306 1.9306 2.0645 2.0645 2.1306 2.1781 2.3667 2.3667 2.4358 2.5371 2.6619 2.6619 3.3938 3.3938 3.6793 3.6793 3.8653 3.8653 4.0299 4.0410 4.2368 4.2406 4.2406 4.3008 4.4172 4.4172 5.7009 5.7009 5.7869 5.7869 5.8008 5.8200 6.0862 6.0862 6.5069 6.5868 6.5868 6.6184 7.6845 7.6845 8.0256 8.1203 8.1203 8.1750 13.1819 13.1819 13.3277 13.3673 13.4272 13.4272 14.3973 14.3973 14.4940 14.4940 k = 0.3333 0.5774-0.0000 ( 3492 PWs) bands (ev): -8.9555 -8.9555 -8.5048 -8.5001 -8.5001 -8.4956 1.0610 1.0610 1.2062 1.3396 1.9306 1.9306 2.0645 2.0645 2.1306 2.1781 2.3667 2.3667 2.4358 2.5371 2.6619 2.6619 3.3938 3.3938 3.6793 3.6793 3.8653 3.8653 4.0299 4.0410 4.2368 4.2406 4.2406 4.3008 4.4172 4.4172 5.7009 5.7009 5.7869 5.7869 5.8008 5.8200 6.0862 6.0862 6.5069 6.5868 6.5868 6.6184 7.6845 7.6845 8.0256 8.1203 8.1203 8.1750 13.1819 13.1819 13.3277 13.3673 13.4272 13.4272 14.3973 14.3973 14.4940 14.4940 k = 0.3277 0.5676-0.0000 ( 3496 PWs) bands (ev): -8.9557 -8.9557 -8.5053 -8.5005 -8.4997 -8.4951 1.0608 1.0612 1.2063 1.3395 1.9270 1.9336 2.0617 2.0652 2.1317 2.1787 2.3662 2.3667 2.4357 2.5366 2.6606 2.6641 3.3905 3.3976 3.6754 3.6826 3.8643 3.8670 4.0297 4.0408 4.2345 4.2410 4.2428 4.3009 4.4174 4.4187 5.6961 5.6992 5.7771 5.7894 5.8023 5.8227 6.0821 6.0894 6.5089 6.5853 6.5881 6.6284 7.6839 7.6850 8.0231 8.1182 8.1195 8.1790 13.1784 13.1800 13.3152 13.3499 13.4367 13.4429 14.3382 14.3914 14.4725 14.5533 k = 0.3220 0.5578-0.0000 ( 3482 PWs) bands (ev): -8.9562 -8.9561 -8.5064 -8.5015 -8.4989 -8.4942 1.0605 1.0614 1.2063 1.3392 1.9227 1.9361 2.0571 2.0644 2.1347 2.1803 2.3654 2.3659 2.4352 2.5352 2.6596 2.6673 3.3879 3.4020 3.6711 3.6849 3.8641 3.8691 4.0289 4.0401 4.2310 4.2413 4.2469 4.3012 4.4191 4.4221 5.6857 5.6904 5.7613 5.7828 5.8084 5.8296 6.0783 6.0910 6.5165 6.5870 6.5956 6.6474 7.6827 7.6855 8.0145 8.1097 8.1209 8.1902 13.1695 13.1719 13.2876 13.3180 13.4579 13.4679 14.2616 14.3033 14.5233 14.6195 k = 0.3164 0.5480-0.0000 ( 3481 PWs) bands (ev): -8.9570 -8.9570 -8.5078 -8.5029 -8.4980 -8.4932 1.0602 1.0616 1.2065 1.3388 1.9179 1.9380 2.0514 2.0621 2.1390 2.1828 2.3642 2.3644 2.4343 2.5329 2.6590 2.6715 3.3858 3.4069 3.6664 3.6859 3.8646 3.8715 4.0276 4.0387 4.2275 4.2414 4.2517 4.3018 4.4220 4.4272 5.6699 5.6747 5.7425 5.7704 5.8157 5.8382 6.0758 6.0913 6.5300 6.5972 6.6078 6.6694 7.6810 7.6858 7.9997 8.0941 8.1283 8.2055 13.1542 13.1567 13.2553 13.2832 13.4806 13.4907 14.1814 14.2114 14.5830 14.6888 k = 0.3107 0.5382-0.0000 ( 3481 PWs) bands (ev): -8.9582 -8.9581 -8.5094 -8.5044 -8.4971 -8.4922 1.0599 1.0618 1.2067 1.3381 1.9128 1.9393 2.0453 2.0586 2.1439 2.1860 2.3621 2.3627 2.4330 2.5298 2.6587 2.6764 3.3843 3.4122 3.6614 3.6857 3.8660 3.8739 4.0257 4.0368 4.2240 4.2411 4.2570 4.3029 4.4262 4.4338 5.6488 5.6524 5.7227 5.7542 5.8228 5.8467 6.0754 6.0910 6.5483 6.6156 6.6244 6.6938 7.6785 7.6860 7.9799 8.0748 8.1391 8.2225 13.1317 13.1335 13.2224 13.2483 13.5008 13.5087 14.1056 14.1273 14.6455 14.7603 k = 0.3051 0.5284-0.0000 ( 3481 PWs) bands (ev): -8.9598 -8.9597 -8.5111 -8.5060 -8.4963 -8.4913 1.0595 1.0620 1.2069 1.3373 1.9074 1.9400 2.0393 2.0544 2.1492 2.1896 2.3593 2.3608 2.4313 2.5261 2.6585 2.6818 3.3833 3.4179 3.6560 3.6841 3.8681 3.8764 4.0231 4.0342 4.2205 4.2402 4.2626 4.3047 4.4315 4.4415 5.6228 5.6243 5.7026 5.7357 5.8292 5.8543 6.0777 6.0912 6.5699 6.6405 6.6455 6.7204 7.6754 7.6859 7.9562 8.0528 8.1523 8.2403 13.1008 13.1015 13.1903 13.2143 13.5161 13.5202 14.0401 14.0559 14.7091 14.8330 k = 0.2994 0.5186-0.0000 ( 3485 PWs) bands (ev): -8.9617 -8.9616 -8.5128 -8.5077 -8.4957 -8.4906 1.0590 1.0622 1.2071 1.3363 1.9019 1.9401 2.0340 2.0497 2.1545 2.1935 2.3558 2.3585 2.4292 2.5219 2.6583 2.6878 3.3827 3.4240 3.6504 3.6812 3.8708 3.8787 4.0198 4.0309 4.2170 4.2386 4.2684 4.3074 4.4378 4.4500 5.5918 5.5927 5.6824 5.7157 5.8347 5.8603 6.0826 6.0929 6.5930 6.6698 6.6713 6.7499 7.6715 7.6854 7.9296 8.0287 8.1668 8.2584 13.0600 13.0608 13.1597 13.1818 13.5234 13.5244 13.9895 14.0014 14.7728 14.9065 k = 0.2938 0.5089-0.0000 ( 3481 PWs) bands (ev): -8.9640 -8.9640 -8.5146 -8.5094 -8.4952 -8.4900 1.0585 1.0624 1.2074 1.3352 1.8965 1.9396 2.0294 2.0447 2.1598 2.1974 2.3519 2.3560 2.4267 2.5172 2.6581 2.6940 3.3826 3.4302 3.6445 3.6771 3.8739 3.8809 4.0160 4.0271 4.2135 4.2362 4.2744 4.3111 4.4450 4.4588 5.5567 5.5595 5.6617 5.6946 5.8395 5.8644 6.0901 6.0966 6.6163 6.7015 6.7018 6.7828 7.6668 7.6847 7.9007 8.0031 8.1821 8.2762 13.0086 13.0110 13.1309 13.1513 13.5174 13.5245 13.9569 13.9665 14.8358 14.9801 k = 0.2881 0.4991-0.0000 ( 3487 PWs) bands (ev): -8.9668 -8.9667 -8.5165 -8.5113 -8.4948 -8.4896 1.0579 1.0626 1.2078 1.3339 1.8911 1.9385 2.0257 2.0397 2.1650 2.2010 2.3476 2.3532 2.4238 2.5121 2.6576 2.7004 3.3828 3.4366 3.6383 3.6720 3.8772 3.8828 4.0117 4.0227 4.2098 4.2330 4.2804 4.3156 4.4528 4.4676 5.5202 5.5245 5.6405 5.6726 5.8434 5.8667 6.1000 6.1027 6.6392 6.7334 6.7362 6.8198 7.6613 7.6836 7.8702 7.9763 8.1977 8.2937 12.9474 12.9513 13.1044 13.1231 13.5028 13.5164 13.9431 13.9514 14.8976 15.0535 k = 0.2825 0.4893-0.0000 ( 3491 PWs) bands (ev): -8.9699 -8.9698 -8.5185 -8.5132 -8.4946 -8.4894 1.0573 1.0629 1.2081 1.3324 1.8859 1.9370 2.0231 2.0347 2.1699 2.2045 2.3429 2.3501 2.4207 2.5067 2.6568 2.7068 3.3833 3.4430 3.6319 3.6662 3.8805 3.8845 4.0070 4.0179 4.2060 4.2290 4.2863 4.3209 4.4610 4.4759 5.4834 5.4886 5.6186 5.6499 5.8469 5.8671 6.1113 6.1121 6.6615 6.7644 6.7734 6.8609 7.6548 7.6822 7.8390 7.9491 8.2133 8.3105 12.8771 12.8824 13.0805 13.0975 13.4822 13.5021 13.9462 13.9535 14.9579 15.1265 k = 0.2768 0.4795-0.0000 ( 3495 PWs) bands (ev): -8.9734 -8.9733 -8.5205 -8.5152 -8.4946 -8.4893 1.0566 1.0631 1.2086 1.3308 1.8810 1.9352 2.0213 2.0300 2.1745 2.2075 2.3380 2.3468 2.4174 2.5011 2.6556 2.7132 3.3840 3.4495 3.6254 3.6597 3.8834 3.8858 4.0018 4.0129 4.2019 4.2243 4.2919 4.3267 4.4693 4.4833 5.4473 5.4529 5.5960 5.6264 5.8499 5.8661 6.1222 6.1261 6.6835 6.7940 6.8123 6.9055 7.6471 7.6805 7.8078 7.9220 8.2287 8.3265 12.7990 12.8054 13.0593 13.0746 13.4589 13.4842 13.9629 13.9691 15.0166 15.1987 k = 0.2712 0.4697-0.0000 ( 3497 PWs) bands (ev): -8.9773 -8.9772 -8.5226 -8.5173 -8.4948 -8.4895 1.0558 1.0635 1.2090 1.3291 1.8764 1.9332 2.0205 2.0256 2.1789 2.2102 2.3328 2.3433 2.4140 2.4954 2.6538 2.7195 3.3849 3.4558 3.6187 3.6527 3.8857 3.8867 3.9965 4.0077 4.1976 4.2191 4.2971 4.3327 4.4773 4.4894 5.4126 5.4180 5.5730 5.6023 5.8527 5.8640 6.1350 6.1416 6.7051 6.8223 6.8517 6.9524 7.6381 7.6786 7.7776 7.8956 8.2437 8.3417 12.7147 12.7219 13.0410 13.0545 13.4351 13.4652 13.9899 13.9950 15.0736 15.2699 k = 0.2655 0.4599-0.0000 ( 3505 PWs) bands (ev): -8.9816 -8.9815 -8.5248 -8.5194 -8.4951 -8.4898 1.0548 1.0638 1.2095 1.3272 1.8723 1.9312 2.0203 2.0216 2.1829 2.2123 2.3275 2.3397 2.4105 2.4895 2.6515 2.7255 3.3859 3.4618 3.6120 3.6456 3.8871 3.8873 3.9909 4.0026 4.1930 4.2135 4.3018 4.3387 4.4849 4.4939 5.3800 5.3847 5.5496 5.5777 5.8554 5.8611 6.1494 6.1586 6.7263 6.8493 6.8903 7.0003 7.6275 7.6765 7.7498 7.8710 8.2581 8.3560 12.6255 12.6334 13.0256 13.0372 13.4121 13.4463 14.0248 14.0287 15.1291 15.3398 k = 0.2599 0.4501-0.0000 ( 3505 PWs) bands (ev): -8.9863 -8.9861 -8.5270 -8.5216 -8.4957 -8.4904 1.0538 1.0642 1.2100 1.3252 1.8685 1.9292 2.0180 2.0207 2.1866 2.2140 2.3221 2.3359 2.4071 2.4837 2.6486 2.7313 3.3868 3.4676 3.6052 3.6385 3.8875 3.8875 3.9853 3.9978 4.1881 4.2074 4.3060 4.3444 4.4916 4.4964 5.3498 5.3533 5.5260 5.5529 5.8577 5.8582 6.1651 6.1766 6.7470 6.8753 6.9273 7.0476 7.6152 7.6744 7.7256 7.8489 8.2718 8.3692 12.5330 12.5413 13.0131 13.0226 13.3906 13.4282 14.0660 14.0687 15.1832 15.4080 k = 0.2542 0.4404-0.0000 ( 3509 PWs) bands (ev): -8.9913 -8.9912 -8.5293 -8.5239 -8.4964 -8.4911 1.0527 1.0646 1.2106 1.3230 1.8652 1.9275 2.0148 2.0216 2.1899 2.2152 2.3166 2.3320 2.4037 2.4779 2.6450 2.7367 3.3877 3.4728 3.5986 3.6315 3.8864 3.8871 3.9797 3.9934 4.1828 4.2011 4.3096 4.3496 4.4966 4.4971 5.3224 5.3242 5.5026 5.5280 5.8542 5.8611 6.1818 6.1955 6.7673 6.9003 6.9614 7.0927 7.6022 7.6722 7.7059 7.8304 8.2846 8.3813 12.4380 12.4467 13.0032 13.0107 13.3706 13.4112 14.1125 14.1139 15.2358 15.4737 k = 0.2486 0.4306-0.0000 ( 3507 PWs) bands (ev): -8.9968 -8.9967 -8.5316 -8.5262 -8.4973 -8.4920 1.0515 1.0651 1.2111 1.3208 1.8624 1.9261 2.0120 2.0227 2.1929 2.2159 2.3111 2.3280 2.4006 2.4722 2.6407 2.7418 3.3884 3.4775 3.5922 3.6249 3.8840 3.8863 3.9741 3.9897 4.1770 4.1945 4.3123 4.3540 4.4944 4.5013 5.2978 5.2979 5.4795 5.5033 5.8507 5.8643 6.1991 6.2151 6.7868 6.9241 6.9917 7.1332 7.5904 7.6701 7.6910 7.8165 8.2966 8.3923 12.3416 12.3504 12.9959 13.0013 13.3520 13.3952 14.1636 14.1638 15.2870 15.5362 k = 0.2429 0.4208-0.0000 ( 3513 PWs) bands (ev): -9.0026 -9.0025 -8.5340 -8.5286 -8.4985 -8.4931 1.0501 1.0656 1.2117 1.3184 1.8601 1.9250 2.0097 2.0241 2.1953 2.2162 2.3057 2.3238 2.3976 2.4667 2.6358 2.7466 3.3889 3.4816 3.5861 3.6186 3.8800 3.8849 3.9687 3.9867 4.1708 4.1878 4.3143 4.3573 4.4900 4.5039 5.2742 5.2763 5.4572 5.4791 5.8474 5.8676 6.2170 6.2351 6.8055 6.9468 7.0173 7.1667 7.5831 7.6683 7.6804 7.8083 8.3077 8.4022 12.2442 12.2533 12.9909 12.9940 13.3348 13.3801 14.2180 14.2189 15.3366 15.5944 k = 0.2373 0.4110-0.0000 ( 3521 PWs) bands (ev): -9.0089 -9.0087 -8.5364 -8.5311 -8.4998 -8.4945 1.0487 1.0661 1.2123 1.3159 1.8582 1.9242 2.0077 2.0256 2.1974 2.2159 2.3003 2.3195 2.3950 2.4614 2.6302 2.7509 3.3892 3.4847 3.5805 3.6129 3.8745 3.8830 3.9635 3.9842 4.1641 4.1808 4.3153 4.3591 4.4835 4.5047 5.2536 5.2575 5.4359 5.4557 5.8443 5.8710 6.2350 6.2553 6.8233 6.9680 7.0378 7.1905 7.5834 7.6667 7.6741 7.8066 8.3177 8.4110 12.1465 12.1557 12.9879 12.9888 13.3186 13.3656 14.2761 14.2781 15.3847 15.6471 k = 0.2316 0.4012-0.0000 ( 3525 PWs) bands (ev): -9.0154 -9.0153 -8.5389 -8.5336 -8.5013 -8.4960 1.0471 1.0667 1.2129 1.3134 1.8567 1.9238 2.0062 2.0271 2.1990 2.2151 2.2950 2.3150 2.3928 2.4563 2.6241 2.7549 3.3893 3.4870 3.5755 3.6078 3.8678 3.8804 3.9584 3.9823 4.1569 4.1738 4.3154 4.3591 4.4755 4.5037 5.2358 5.2409 5.4161 5.4331 5.8416 5.8745 6.2532 6.2756 6.8399 6.9877 7.0530 7.2031 7.5928 7.6654 7.6723 7.8118 8.3267 8.4186 12.0489 12.0581 12.9853 12.9868 13.3032 13.3517 14.3381 14.3410 15.4311 15.6934 k = 0.2260 0.3914-0.0000 ( 3521 PWs) bands (ev): -9.0224 -9.0223 -8.5414 -8.5361 -8.5029 -8.4977 1.0455 1.0672 1.2135 1.3107 1.8556 1.9236 2.0050 2.0285 2.2000 2.2139 2.2900 2.3104 2.3909 2.4516 2.6175 2.7585 3.3891 3.4881 3.5712 3.6034 3.8600 3.8772 3.9537 3.9806 4.1492 4.1667 4.3145 4.3565 4.4668 4.5010 5.2208 5.2263 5.3979 5.4118 5.8392 5.8779 6.2712 6.2958 6.8552 7.0055 7.0633 7.2053 7.6089 7.6645 7.6773 7.8238 8.3346 8.4252 11.9516 11.9608 12.9833 12.9872 13.2885 13.3382 14.4036 14.4075 15.4755 15.7327 k = 0.2203 0.3816-0.0000 ( 3517 PWs) bands (ev): -9.0296 -9.0295 -8.5439 -8.5387 -8.5048 -8.4995 1.0437 1.0679 1.2140 1.3080 1.8547 1.9236 2.0041 2.0297 2.2006 2.2123 2.2851 2.3056 2.3894 2.4472 2.6105 2.7616 3.3887 3.4881 3.5678 3.5997 3.8514 3.8734 3.9491 3.9789 4.1410 4.1595 4.3125 4.3510 4.4582 4.4966 5.2084 5.2131 5.3818 5.3919 5.8372 5.8810 6.2890 6.3156 6.8691 7.0212 7.0694 7.1997 7.6251 7.6642 7.6935 7.8422 8.3414 8.4307 11.8549 11.8641 12.9824 12.9888 13.2742 13.3247 14.4725 14.4774 15.5179 15.7650 k = 0.2147 0.3719-0.0000 ( 3517 PWs) bands (ev): -9.0372 -9.0371 -8.5465 -8.5413 -8.5068 -8.5016 1.0419 1.0685 1.2145 1.3052 1.8541 1.9237 2.0036 2.0306 2.2007 2.2104 2.2805 2.3007 2.3884 2.4431 2.6031 2.7644 3.3881 3.4871 3.5653 3.5967 3.8422 3.8689 3.9446 3.9772 4.1323 4.1523 4.3095 4.3420 4.4505 4.4908 5.1985 5.2008 5.3679 5.3736 5.8354 5.8837 6.3063 6.3349 6.8816 7.0345 7.0725 7.1894 7.6367 7.6646 7.7231 7.8660 8.3472 8.4351 11.7590 11.7681 12.9823 12.9911 13.2600 13.3110 14.5446 14.5504 15.5578 15.7905 k = 0.2090 0.3621-0.0000 ( 3521 PWs) bands (ev): -9.0451 -9.0451 -8.5490 -8.5439 -8.5090 -8.5038 1.0400 1.0691 1.2150 1.3023 1.8536 1.9238 2.0033 2.0312 2.2002 2.2080 2.2761 2.2958 2.3878 2.4393 2.5955 2.7668 3.3874 3.4851 3.5635 3.5942 3.8325 3.8639 3.9402 3.9750 4.1233 4.1451 4.3055 4.3295 4.4441 4.4838 5.1891 5.1907 5.3563 5.3570 5.8337 5.8856 6.3232 6.3535 6.8927 7.0453 7.0739 7.1772 7.6455 7.6661 7.7617 7.8939 8.3519 8.4386 11.6641 11.6730 12.9825 12.9939 13.2457 13.2969 14.6197 14.6263 15.5950 15.8098 k = 0.2034 0.3523-0.0000 ( 3517 PWs) bands (ev): -9.0533 -9.0533 -8.5515 -8.5465 -8.5113 -8.5062 1.0380 1.0697 1.2154 1.2993 1.8532 1.9237 2.0033 2.0314 2.1994 2.2054 2.2721 2.2907 2.3875 2.4359 2.5876 2.7687 3.3868 3.4823 3.5625 3.5923 3.8226 3.8583 3.9358 3.9723 4.1139 4.1380 4.3005 4.3142 4.4390 4.4759 5.1778 5.1846 5.3422 5.3470 5.8321 5.8866 6.3394 6.3712 6.9026 7.0535 7.0745 7.1653 7.6543 7.6686 7.8048 7.9251 8.3556 8.4411 11.5704 11.5791 12.9828 12.9967 13.2312 13.2823 14.6975 14.7049 15.6292 15.8235 k = 0.1977 0.3425-0.0000 ( 3509 PWs) bands (ev): -9.0618 -9.0618 -8.5541 -8.5491 -8.5138 -8.5088 1.0359 1.0704 1.2157 1.2963 1.8526 1.9234 2.0034 2.0310 2.1983 2.2025 2.2684 2.2857 2.3877 2.4326 2.5797 2.7701 3.3862 3.4791 3.5620 3.5908 3.8127 3.8522 3.9311 3.9688 4.1045 4.1309 4.2946 4.2968 4.4349 4.4675 5.1668 5.1802 5.3295 5.3397 5.8305 5.8865 6.3548 6.3880 6.9116 7.0592 7.0754 7.1550 7.6644 7.6725 7.8496 7.9582 8.3583 8.4427 11.4780 11.4864 12.9828 12.9992 13.2161 13.2668 14.7775 14.7856 15.6603 15.8324 k = 0.1921 0.3327-0.0000 ( 3509 PWs) bands (ev): -9.0706 -9.0705 -8.5566 -8.5517 -8.5164 -8.5115 1.0339 1.0710 1.2160 1.2933 1.8518 1.9227 2.0037 2.0302 2.1969 2.1994 2.2650 2.2808 2.3881 2.4296 2.5717 2.7709 3.3858 3.4755 3.5619 3.5897 3.8029 3.8456 3.9261 3.9643 4.0950 4.1238 4.2782 4.2880 4.4314 4.4587 5.1563 5.1770 5.3188 5.3341 5.8287 5.8850 6.3694 6.4035 6.9199 7.0629 7.0772 7.1470 7.6763 7.6778 7.8947 7.9925 8.3601 8.4435 11.3871 11.3952 12.9821 13.0009 13.2003 13.2503 14.8593 14.8680 15.6880 15.8370 k = 0.1864 0.3229-0.0000 ( 3521 PWs) bands (ev): -9.0796 -9.0795 -8.5591 -8.5542 -8.5192 -8.5144 1.0317 1.0716 1.2162 1.2901 1.8506 1.9214 2.0041 2.0288 2.1953 2.1962 2.2618 2.2759 2.3888 2.4268 2.5637 2.7711 3.3857 3.4719 3.5621 3.5888 3.7933 3.8387 3.9206 3.9587 4.0858 4.1169 4.2591 4.2808 4.4282 4.4499 5.1463 5.1748 5.3101 5.3299 5.8266 5.8821 6.3832 6.4178 6.9277 7.0650 7.0805 7.1416 7.6846 7.6902 7.9390 8.0270 8.3611 8.4436 11.2978 11.3055 12.9802 13.0013 13.1835 13.2326 14.9421 14.9515 15.7125 15.8381 k = 0.1808 0.3131-0.0000 ( 3521 PWs) bands (ev): -9.0887 -9.0887 -8.5615 -8.5568 -8.5221 -8.5173 1.0296 1.0722 1.2163 1.2870 1.8489 1.9194 2.0046 2.0268 2.1930 2.1938 2.2590 2.2712 2.3896 2.4240 2.5559 2.7707 3.3860 3.4685 3.5624 3.5879 3.7840 3.8315 3.9144 3.9517 4.0770 4.1102 4.2403 4.2731 4.4251 4.4411 5.1370 5.1735 5.3034 5.3268 5.8241 5.8776 6.3959 6.4308 6.9353 7.0659 7.0860 7.1392 7.6928 7.7060 7.9818 8.0611 8.3613 8.4430 11.2104 11.2176 12.9770 13.0002 13.1655 13.2134 15.0254 15.0352 15.7338 15.8364 k = 0.1751 0.3034-0.0000 ( 3523 PWs) bands (ev): -9.0981 -9.0981 -8.5639 -8.5593 -8.5251 -8.5204 1.0275 1.0728 1.2164 1.2837 1.8467 1.9166 2.0052 2.0243 2.1897 2.1923 2.2564 2.2666 2.3905 2.4213 2.5481 2.7695 3.3867 3.4653 3.5628 3.5870 3.7752 3.8241 3.9075 3.9432 4.0689 4.1037 4.2222 4.2652 4.4220 4.4327 5.1287 5.1729 5.2987 5.3245 5.8213 5.8716 6.4077 6.4423 6.9424 7.0655 7.0940 7.1402 7.7026 7.7236 8.0226 8.0941 8.3609 8.4418 11.1251 11.1316 12.9719 12.9971 13.1463 13.1927 15.1080 15.1181 15.7522 15.8330 k = 0.1695 0.2936-0.0000 ( 3525 PWs) bands (ev): -9.1076 -9.1076 -8.5663 -8.5617 -8.5282 -8.5236 1.0255 1.0733 1.2163 1.2804 1.8437 1.9127 2.0057 2.0213 2.1866 2.1910 2.2541 2.2622 2.3914 2.4187 2.5404 2.7673 3.3879 3.4625 3.5633 3.5860 3.7669 3.8164 3.8996 3.9334 4.0616 4.0975 4.2053 4.2573 4.4187 4.4246 5.1215 5.1730 5.2957 5.3229 5.8182 5.8643 6.4185 6.4523 6.9487 7.0634 7.1052 7.1455 7.7138 7.7428 8.0609 8.1257 8.3600 8.4402 11.0420 11.0477 12.9648 12.9918 13.1257 13.1703 15.1889 15.1990 15.7684 15.8285 k = 0.1638 0.2838-0.0000 ( 3533 PWs) bands (ev): -9.1173 -9.1173 -8.5686 -8.5641 -8.5314 -8.5269 1.0234 1.0738 1.2162 1.2771 1.8399 1.9077 2.0063 2.0179 2.1837 2.1898 2.2521 2.2581 2.3923 2.4160 2.5329 2.7643 3.3896 3.4603 3.5638 3.5847 3.7593 3.8087 3.8909 3.9222 4.0551 4.0916 4.1899 4.2496 4.4153 4.4169 5.1153 5.1737 5.2945 5.3218 5.8150 5.8558 6.4282 6.4609 6.9537 7.0593 7.1201 7.1554 7.7264 7.7632 8.0963 8.1552 8.3587 8.4382 10.9613 10.9662 12.9553 12.9838 13.1034 13.1461 15.2665 15.2763 15.7828 15.8240 k = 0.1582 0.2740-0.0000 ( 3529 PWs) bands (ev): -9.1270 -9.1270 -8.5708 -8.5665 -8.5346 -8.5302 1.0215 1.0744 1.2160 1.2737 1.8353 1.9016 2.0067 2.0140 2.1810 2.1889 2.2503 2.2541 2.3931 2.4133 2.5255 2.7601 3.3919 3.4588 3.5644 3.5831 3.7523 3.8009 3.8813 3.9098 4.0496 4.0861 4.1762 4.2422 4.4097 4.4118 5.1104 5.1749 5.2948 5.3212 5.8117 5.8466 6.4368 6.4680 6.9570 7.0532 7.1389 7.1700 7.7403 7.7848 8.1286 8.1824 8.3573 8.4360 10.8835 10.8873 12.9433 12.9730 13.0794 13.1199 15.3394 15.3481 15.7961 15.8203 k = 0.1525 0.2642-0.0000 ( 3525 PWs) bands (ev): -9.1368 -9.1368 -8.5729 -8.5687 -8.5379 -8.5337 1.0196 1.0749 1.2158 1.2703 1.8298 1.8943 2.0071 2.0099 2.1786 2.1881 2.2487 2.2502 2.3937 2.4105 2.5182 2.7548 3.3946 3.4578 3.5649 3.5811 3.7460 3.7931 3.8709 3.8966 4.0449 4.0809 4.1643 4.2353 4.4029 4.4082 5.1068 5.1767 5.2965 5.3208 5.8087 5.8369 6.4444 6.4736 6.9587 7.0456 7.1615 7.1887 7.7554 7.8071 8.1573 8.2070 8.3559 8.4337 10.8086 10.8112 12.9285 12.9591 13.0536 13.0917 15.4059 15.4128 15.8090 15.8183 k = 0.1469 0.2544-0.0000 ( 3529 PWs) bands (ev): -9.1467 -9.1466 -8.5750 -8.5710 -8.5413 -8.5371 1.0179 1.0753 1.2155 1.2668 1.8235 1.8859 2.0053 2.0073 2.1766 2.1874 2.2465 2.2473 2.3942 2.4076 2.5111 2.7483 3.3979 3.4576 3.5653 3.5787 3.7404 3.7853 3.8599 3.8828 4.0411 4.0763 4.1542 4.2290 4.3967 4.4046 5.1043 5.1789 5.2994 5.3208 5.8063 5.8273 6.4509 6.4777 6.9588 7.0368 7.1873 7.2109 7.7716 7.8301 8.1824 8.2286 8.3545 8.4315 10.7370 10.7383 12.9108 12.9420 13.0259 13.0614 15.4647 15.4685 15.8185 15.8219 k = 0.1412 0.2446-0.0000 ( 3529 PWs) bands (ev): -9.1565 -9.1565 -8.5771 -8.5731 -8.5447 -8.5406 1.0162 1.0758 1.2151 1.2633 1.8164 1.8765 2.0005 2.0072 2.1749 2.1868 2.2428 2.2461 2.3944 2.4046 2.5040 2.7405 3.4015 3.4580 3.5658 3.5759 3.7354 3.7777 3.8485 3.8687 4.0380 4.0720 4.1458 4.2234 4.3910 4.4009 5.1030 5.1817 5.3033 5.3210 5.8047 5.8183 6.4562 6.4803 6.9576 7.0271 7.2157 7.2359 7.7889 7.8534 8.2037 8.2470 8.3535 8.4293 10.6687 10.6690 12.8902 12.9216 12.9963 13.0290 15.5143 15.5147 15.8212 15.8350 k = 0.1356 0.2349-0.0000 ( 3521 PWs) bands (ev): -9.1663 -9.1663 -8.5790 -8.5752 -8.5481 -8.5442 1.0148 1.0762 1.2147 1.2598 1.8085 1.8662 1.9954 2.0069 2.1735 2.1863 2.2393 2.2450 2.3944 2.4016 2.4970 2.7315 3.4055 3.4591 3.5661 3.5727 3.7311 3.7703 3.8370 3.8546 4.0356 4.0683 4.1391 4.2185 4.3857 4.3973 5.1029 5.1849 5.3079 5.3215 5.8044 5.8104 6.4602 6.4813 6.9554 7.0169 7.2460 7.2631 7.8070 7.8768 8.2212 8.2622 8.3528 8.4275 10.6028 10.6048 12.8667 12.8980 12.9648 12.9946 15.5500 15.5559 15.8260 15.8479 k = 0.1299 0.2251-0.0000 ( 3525 PWs) bands (ev): -9.1761 -9.1760 -8.5809 -8.5772 -8.5515 -8.5477 1.0135 1.0766 1.2143 1.2562 1.8000 1.8552 1.9900 2.0063 2.1724 2.1858 2.2357 2.2440 2.3941 2.3985 2.4901 2.7213 3.4097 3.4608 3.5663 3.5692 3.7274 3.7631 3.8254 3.8407 4.0339 4.0651 4.1338 4.2142 4.3810 4.3938 5.1037 5.1885 5.3131 5.3221 5.8041 5.8057 6.4630 6.4808 6.9523 7.0064 7.2773 7.2915 7.8259 7.9002 8.2350 8.2741 8.3524 8.4261 10.5408 10.5448 12.8403 12.8711 12.9312 12.9582 15.5768 15.5889 15.8319 15.8598 k = 0.1243 0.2153-0.0000 ( 3521 PWs) bands (ev): -9.1857 -9.1856 -8.5826 -8.5791 -8.5549 -8.5512 1.0123 1.0770 1.2138 1.2527 1.7909 1.8436 1.9843 2.0052 2.1717 2.1852 2.2322 2.2431 2.3936 2.3954 2.4833 2.7100 3.4142 3.4629 3.5655 3.5665 3.7241 3.7562 3.8142 3.8273 4.0329 4.0625 4.1299 4.2107 4.3767 4.3904 5.1056 5.1925 5.3185 5.3229 5.8001 5.8091 6.4646 6.4787 6.9486 6.9959 7.3087 7.3204 7.8455 7.9233 8.2456 8.2828 8.3523 8.4252 10.4831 10.4892 12.8113 12.8412 12.8958 12.9198 15.5965 15.6150 15.8377 15.8700 k = 0.1186 0.2055-0.0000 ( 3517 PWs) bands (ev): -9.1952 -9.1951 -8.5843 -8.5809 -8.5582 -8.5547 1.0114 1.0773 1.2133 1.2492 1.7814 1.8315 1.9784 2.0038 2.1711 2.1846 2.2287 2.2422 2.3922 2.3927 2.4767 2.6976 3.4187 3.4655 3.5616 3.5664 3.7213 3.7497 3.8034 3.8145 4.0326 4.0604 4.1272 4.2078 4.3728 4.3872 5.1083 5.1967 5.3237 5.3239 5.7989 5.8148 6.4647 6.4753 6.9445 6.9854 7.3393 7.3489 7.8658 7.9459 8.2534 8.2885 8.3525 8.4249 10.4298 10.4382 12.7797 12.8084 12.8585 12.8796 15.6113 15.6358 15.8422 15.8778 k = 0.1130 0.1957-0.0000 ( 3519 PWs) bands (ev): -9.2045 -9.2044 -8.5859 -8.5826 -8.5616 -8.5582 1.0107 1.0775 1.2128 1.2456 1.7715 1.8192 1.9721 2.0020 2.1708 2.1839 2.2252 2.2411 2.3890 2.3916 2.4704 2.6843 3.4233 3.4684 3.5577 3.5662 3.7187 3.7436 3.7932 3.8024 4.0330 4.0588 4.1255 4.2055 4.3694 4.3842 5.1117 5.2011 5.3245 5.3290 5.8011 5.8234 6.4636 6.4704 6.9401 6.9750 7.3680 7.3761 7.8865 7.9678 8.2591 8.2916 8.3527 8.4252 10.3811 10.3920 12.7458 12.7730 12.8196 12.8379 15.6228 15.6526 15.8450 15.8827 k = 0.1073 0.1859-0.0000 ( 3521 PWs) bands (ev): -9.2136 -9.2136 -8.5874 -8.5843 -8.5648 -8.5616 1.0102 1.0777 1.2124 1.2421 1.7614 1.8067 1.9656 1.9996 2.1706 2.1832 2.2217 2.2400 2.3857 2.3901 2.4643 2.6703 3.4278 3.4715 3.5539 3.5657 3.7163 3.7378 3.7837 3.7911 4.0341 4.0579 4.1247 4.2037 4.3665 4.3814 5.1158 5.2056 5.3253 5.3333 5.8073 5.8350 6.4611 6.4643 6.9355 6.9650 7.3939 7.4008 7.9076 7.9889 8.2635 8.2929 8.3532 8.4261 10.3372 10.3507 12.7099 12.7353 12.7792 12.7947 15.6324 15.6667 15.8459 15.8849 k = 0.1017 0.1761-0.0000 ( 3513 PWs) bands (ev): -9.2225 -9.2224 -8.5888 -8.5859 -8.5680 -8.5650 1.0100 1.0779 1.2119 1.2387 1.7513 1.7942 1.9590 1.9968 2.1705 2.1824 2.2181 2.2386 2.3826 2.3883 2.4587 2.6556 3.4322 3.4747 3.5502 3.5651 3.7141 3.7324 3.7750 3.7808 4.0358 4.0575 4.1247 4.2023 4.3640 4.3788 5.1205 5.2101 5.3259 5.3368 5.8178 5.8500 6.4571 6.4574 6.9307 6.9553 7.4157 7.4219 7.9290 8.0090 8.2672 8.2931 8.3540 8.4276 10.2981 10.3142 12.6723 12.6956 12.7375 12.7504 15.6409 15.6789 15.8451 15.8844 k = 0.0960 0.1664-0.0000 ( 3523 PWs) bands (ev): -9.2311 -9.2311 -8.5902 -8.5874 -8.5711 -8.5682 1.0101 1.0779 1.2114 1.2353 1.7412 1.7818 1.9522 1.9935 2.1705 2.1815 2.2145 2.2370 2.3794 2.3861 2.4536 2.6406 3.4364 3.4778 3.5466 3.5642 3.7119 3.7273 3.7672 3.7714 4.0382 4.0577 4.1253 4.2012 4.3619 4.3765 5.1255 5.2145 5.3263 5.3392 5.8331 5.8686 6.4489 6.4525 6.9259 6.9460 7.4324 7.4383 7.9504 8.0278 8.2709 8.2931 8.3555 8.4295 10.2639 10.2826 12.6332 12.6544 12.6947 12.7051 15.6489 15.6898 15.8429 15.8818 k = 0.0904 0.1566-0.0000 ( 3523 PWs) bands (ev): -9.2394 -9.2394 -8.5914 -8.5888 -8.5741 -8.5714 1.0104 1.0778 1.2109 1.2320 1.7311 1.7696 1.9454 1.9897 2.1705 2.1806 2.2109 2.2350 2.3763 2.3835 2.4491 2.6254 3.4405 3.4808 3.5434 3.5631 3.7097 3.7225 3.7603 3.7630 4.0411 4.0584 4.1266 4.2003 4.3602 4.3744 5.1309 5.2188 5.3265 5.3405 5.8532 5.8911 6.4399 6.4465 6.9209 6.9372 7.4428 7.4486 7.9716 8.0455 8.2754 8.2939 8.3580 8.4320 10.2344 10.2556 12.5931 12.6120 12.6512 12.6594 15.6567 15.6997 15.8397 15.8774 k = 0.0847 0.1468-0.0000 ( 3523 PWs) bands (ev): -9.2474 -9.2473 -8.5926 -8.5901 -8.5770 -8.5745 1.0110 1.0776 1.2105 1.2289 1.7214 1.7577 1.9386 1.9854 2.1706 2.1796 2.2073 2.2326 2.3733 2.3805 2.4453 2.6102 3.4445 3.4836 3.5404 3.5618 3.7075 3.7180 3.7543 3.7557 4.0446 4.0597 4.1284 4.1996 4.3589 4.3726 5.1366 5.2229 5.3264 5.3406 5.8782 5.9174 6.4304 6.4395 6.9159 6.9288 7.4460 7.4519 7.9926 8.0619 8.2812 8.2964 8.3617 8.4348 10.2096 10.2332 12.5524 12.5689 12.6072 12.6134 15.6644 15.7090 15.8359 15.8716 k = 0.0791 0.1370-0.0000 ( 3531 PWs) bands (ev): -9.2550 -9.2549 -8.5937 -8.5913 -8.5798 -8.5774 1.0118 1.0773 1.2101 1.2258 1.7119 1.7462 1.9320 1.9806 2.1706 2.1787 2.2037 2.2299 2.3703 2.3773 2.4423 2.5952 3.4482 3.4861 3.5377 3.5603 3.7052 3.7136 3.7493 3.7493 4.0484 4.0614 4.1305 4.1989 4.3579 4.3710 5.1425 5.2267 5.3261 5.3397 5.9080 5.9477 6.4204 6.4317 6.9108 6.9208 7.4414 7.4472 8.0129 8.0772 8.2889 8.3012 8.3668 8.4381 10.1891 10.2149 12.5114 12.5254 12.5632 12.5675 15.6721 15.7176 15.8316 15.8649 k = 0.0734 0.1272-0.0000 ( 3537 PWs) bands (ev): -9.2622 -9.2622 -8.5947 -8.5924 -8.5824 -8.5802 1.0130 1.0768 1.2096 1.2229 1.7029 1.7351 1.9255 1.9754 2.1706 2.1777 2.2002 2.2268 2.3675 2.3739 2.4399 2.5805 3.4518 3.4884 3.5354 3.5586 3.7028 3.7094 3.7439 3.7451 4.0526 4.0635 4.1331 4.1983 4.3572 4.3696 5.1484 5.2302 5.3255 5.3380 5.9425 5.9819 6.4102 6.4232 6.9058 6.9133 7.4285 7.4341 8.0324 8.0915 8.2986 8.3089 8.3734 8.4419 10.1729 10.2004 12.4705 12.4821 12.5194 12.5222 15.6797 15.7257 15.8274 15.8576 k = 0.0678 0.1174-0.0000 ( 3537 PWs) bands (ev): -9.2690 -9.2689 -8.5956 -8.5935 -8.5849 -8.5829 1.0144 1.0760 1.2092 1.2202 1.6943 1.7246 1.9194 1.9698 2.1706 2.1768 2.1969 2.2234 2.3648 2.3703 2.4383 2.5663 3.4552 3.4902 3.5335 3.5569 3.7003 3.7054 3.7395 3.7416 4.0569 4.0659 4.1359 4.1976 4.3569 4.3685 5.1545 5.2332 5.3247 5.3357 5.9813 6.0198 6.4001 6.4142 6.9009 6.9064 7.4075 7.4125 8.0510 8.1049 8.3102 8.3195 8.3813 8.4460 10.1605 10.1894 12.4303 12.4395 12.4763 12.4778 15.6871 15.7333 15.8233 15.8501 k = 0.0621 0.1076-0.0000 ( 3533 PWs) bands (ev): -9.2754 -9.2753 -8.5964 -8.5945 -8.5872 -8.5854 1.0161 1.0751 1.2089 1.2177 1.6864 1.7146 1.9136 1.9638 2.1706 2.1758 2.1936 2.2197 2.3622 2.3668 2.4373 2.5528 3.4585 3.4918 3.5318 3.5550 3.6978 3.7016 3.7358 3.7388 4.0614 4.0686 4.1390 4.1968 4.3567 4.3675 5.1605 5.2356 5.3237 5.3330 6.0242 6.0615 6.3902 6.4049 6.8961 6.8999 7.3786 7.3829 8.0684 8.1175 8.3237 8.3326 8.3905 8.4504 10.1516 10.1814 12.3910 12.3979 12.4343 12.4348 15.6943 15.7402 15.8195 15.8425 k = 0.0565 0.0979-0.0000 ( 3533 PWs) bands (ev): -9.2812 -9.2812 -8.5971 -8.5954 -8.5894 -8.5877 1.0181 1.0739 1.2085 1.2154 1.6791 1.7052 1.9084 1.9576 2.1706 2.1749 2.1906 2.2158 2.3597 2.3634 2.4368 2.5400 3.4616 3.4930 3.5305 3.5530 3.6954 3.6982 3.7329 3.7365 4.0659 4.0715 4.1423 4.1958 4.3568 4.3666 5.1666 5.2375 5.3226 5.3301 6.0707 6.1065 6.3807 6.3954 6.8914 6.8939 7.3425 7.3459 8.0847 8.1290 8.3385 8.3477 8.4005 8.4549 10.1459 10.1759 12.3532 12.3579 12.3936 12.3938 15.7012 15.7465 15.8162 15.8352 k = 0.0508 0.0881-0.0000 ( 3543 PWs) bands (ev): -9.2866 -9.2866 -8.5978 -8.5962 -8.5914 -8.5898 1.0203 1.0724 1.2081 1.2134 1.6724 1.6965 1.9038 1.9511 2.1705 2.1741 2.1878 2.2116 2.3574 2.3602 2.4369 2.5280 3.4647 3.4938 3.5295 3.5509 3.6930 3.6950 3.7306 3.7346 4.0702 4.0745 4.1457 4.1947 4.3571 4.3659 5.1726 5.2387 5.3215 5.3272 6.1204 6.1546 6.3720 6.3860 6.8869 6.8884 7.3002 7.3024 8.0997 8.1394 8.3543 8.3640 8.4110 8.4596 10.1428 10.1725 12.3172 12.3199 12.3547 12.3553 15.7077 15.7518 15.8134 15.8284 k = 0.0452 0.0783-0.0000 ( 3543 PWs) bands (ev): -9.2915 -9.2914 -8.5984 -8.5969 -8.5931 -8.5918 1.0228 1.0707 1.2078 1.2116 1.6666 1.6884 1.8999 1.9445 2.1705 2.1733 2.1852 2.2075 2.3552 2.3573 2.4375 2.5169 3.4677 3.4943 3.5289 3.5488 3.6908 3.6922 3.7288 3.7330 4.0744 4.0774 4.1492 4.1934 4.3575 4.3654 5.1785 5.2392 5.3203 5.3244 6.1726 6.2055 6.3643 6.3769 6.8827 6.8834 7.2526 7.2535 8.1134 8.1485 8.3707 8.3808 8.4217 8.4641 10.1419 10.1707 12.2834 12.2844 12.3185 12.3193 15.7138 15.7562 15.8113 15.8223 k = 0.0395 0.0685-0.0000 ( 3535 PWs) bands (ev): -9.2958 -9.2958 -8.5989 -8.5976 -8.5947 -8.5936 1.0255 1.0687 1.2074 1.2101 1.6615 1.6810 1.8967 1.9378 2.1705 2.1726 2.1830 2.2033 2.3532 2.3547 2.4385 2.5066 3.4706 3.4944 3.5285 3.5466 3.6888 3.6897 3.7275 3.7316 4.0782 4.0803 4.1527 4.1919 4.3580 4.3649 5.1843 5.2390 5.3191 5.3220 6.2265 6.2588 6.3583 6.3682 6.8787 6.8790 7.2003 7.2007 8.1258 8.1563 8.3871 8.3974 8.4322 8.4684 10.1430 10.1701 12.2518 12.2522 12.2855 12.2863 15.7193 15.7593 15.8097 15.8172 k = 0.0339 0.0587-0.0000 ( 3539 PWs) bands (ev): -9.2996 -9.2996 -8.5993 -8.5982 -8.5961 -8.5951 1.0284 1.0664 1.2071 1.2088 1.6573 1.6743 1.8944 1.9312 2.1704 2.1719 2.1812 2.1993 2.3514 2.3524 2.4399 2.4973 3.4734 3.4943 3.5283 3.5444 3.6870 3.6876 3.7266 3.7305 4.0817 4.0831 4.1563 4.1902 4.3586 4.3644 5.1900 5.2381 5.3180 5.3198 6.2792 6.3136 6.3563 6.3604 6.8751 6.8752 7.1439 7.1456 8.1368 8.1627 8.4030 8.4131 8.4419 8.4721 10.1454 10.1702 12.2225 12.2240 12.2561 12.2567 15.7244 15.7610 15.8086 15.8132 k = 0.0282 0.0489-0.0000 ( 3539 PWs) bands (ev): -9.3029 -9.3028 -8.5997 -8.5987 -8.5972 -8.5965 1.0315 1.0639 1.2068 1.2078 1.6539 1.6683 1.8929 1.9248 2.1704 2.1714 2.1798 2.1954 2.3499 2.3504 2.4418 2.4888 3.4762 3.4939 3.5285 3.5423 3.6855 3.6858 3.7259 3.7294 4.0847 4.0855 4.1598 4.1883 4.3592 4.3640 5.1955 5.2365 5.3171 5.3181 6.3180 6.3502 6.3707 6.3726 6.8718 6.8721 7.0854 7.0884 8.1463 8.1678 8.4181 8.4275 8.4507 8.4750 10.1488 10.1706 12.1970 12.1992 12.2305 12.2309 15.7291 15.7613 15.8080 15.8105 k = 0.0226 0.0391-0.0000 ( 3539 PWs) bands (ev): -9.3055 -9.3055 -8.5999 -8.5991 -8.5981 -8.5976 1.0347 1.0611 1.2065 1.2070 1.6514 1.6631 1.8924 1.9187 2.1704 2.1709 2.1790 2.1918 2.3486 2.3488 2.4441 2.4811 3.4788 3.4932 3.5289 3.5401 3.6842 3.6844 3.7255 3.7285 4.0872 4.0877 4.1633 4.1862 4.3598 4.3637 5.2009 5.2342 5.3162 5.3167 6.3275 6.3448 6.4155 6.4276 6.8691 6.8694 7.0265 7.0307 8.1545 8.1715 8.4318 8.4401 8.4580 8.4769 10.1527 10.1710 12.1756 12.1781 12.2091 12.2094 15.7334 15.7603 15.8078 15.8089 k = 0.0169 0.0294-0.0000 ( 3535 PWs) bands (ev): -9.3076 -9.3076 -8.6001 -8.5994 -8.5988 -8.5985 1.0381 1.0582 1.2063 1.2065 1.6498 1.6587 1.8928 1.9130 2.1704 2.1706 2.1787 2.1886 2.3475 2.3476 2.4468 2.4742 3.4813 3.4922 3.5295 3.5381 3.6832 3.6833 3.7254 3.7277 4.0892 4.0894 4.1666 4.1839 4.3604 4.3633 5.2061 5.2314 5.3155 5.3157 6.3279 6.3393 6.4694 6.4821 6.8671 6.8672 6.9692 6.9743 8.1613 8.1740 8.4440 8.4505 8.4636 8.4776 10.1568 10.1710 12.1588 12.1611 12.1923 12.1924 15.7375 15.7582 15.8077 15.8081 k = 0.0113 0.0196-0.0000 ( 3539 PWs) bands (ev): -9.3091 -9.3091 -8.6002 -8.5997 -8.5993 -8.5992 1.0415 1.0550 1.2060 1.2061 1.6491 1.6551 1.8941 1.9078 2.1703 2.1703 2.1790 2.1857 2.3467 2.3468 2.4500 2.4681 3.4836 3.4909 3.5304 3.5362 3.6825 3.6825 3.7254 3.7270 4.0907 4.0907 4.1699 4.1815 4.3610 4.3629 5.2111 5.2281 5.3150 5.3151 6.3275 6.3347 6.5206 6.5313 6.8655 6.8656 6.9175 6.9228 8.1667 8.1751 8.4543 8.4586 8.4673 8.4767 10.1608 10.1705 12.1467 12.1485 12.1801 12.1801 15.7413 15.7553 15.8078 15.8079 k = 0.0056 0.0098-0.0000 ( 3539 PWs) bands (ev): -9.3100 -9.3100 -8.6002 -8.5999 -8.5996 -8.5996 1.0449 1.0517 1.2059 1.2059 1.6493 1.6523 1.8963 1.9033 2.1702 2.1702 2.1799 2.1833 2.3463 2.3463 2.4537 2.4627 3.4858 3.4895 3.5316 3.5345 3.6821 3.6821 3.7256 3.7265 4.0915 4.0915 4.1730 4.1788 4.3616 4.3625 5.2158 5.2244 5.3147 5.3147 6.3276 6.3312 6.5615 6.5679 6.8640 6.8645 6.8789 6.8830 8.1708 8.1750 8.4625 8.4642 8.4691 8.4742 10.1643 10.1692 12.1396 12.1405 12.1727 12.1727 15.7450 15.7521 15.8078 15.8079 k = 0.0000 0.0000 0.0000 ( 3545 PWs) bands (ev): -9.3103 -9.3103 -8.6001 -8.6001 -8.5997 -8.5997 1.0483 1.0483 1.2058 1.2058 1.6504 1.6504 1.8994 1.8994 2.1701 2.1701 2.1813 2.1813 2.3461 2.3461 2.4579 2.4579 3.4877 3.4877 3.5329 3.5329 3.6819 3.6819 3.7260 3.7260 4.0918 4.0918 4.1760 4.1760 4.3620 4.3620 5.2202 5.2202 5.3146 5.3146 6.3288 6.3288 6.5801 6.5801 6.8615 6.8615 6.8677 6.8677 8.1735 8.1735 8.4668 8.4668 8.4704 8.4704 10.1671 10.1671 12.1375 12.1375 12.1702 12.1702 15.7486 15.7486 15.8079 15.8079 k = 0.0000 0.0000 0.0000 ( 3545 PWs) bands (ev): -9.3103 -9.3103 -8.6001 -8.6001 -8.5997 -8.5997 1.0483 1.0483 1.2058 1.2058 1.6504 1.6504 1.8994 1.8994 2.1701 2.1701 2.1813 2.1813 2.3461 2.3461 2.4579 2.4579 3.4877 3.4877 3.5329 3.5329 3.6819 3.6819 3.7260 3.7260 4.0918 4.0918 4.1760 4.1760 4.3620 4.3620 5.2202 5.2202 5.3146 5.3146 6.3288 6.3288 6.5801 6.5801 6.8615 6.8615 6.8677 6.8677 8.1735 8.1735 8.4668 8.4668 8.4704 8.4704 10.1671 10.1671 12.1375 12.1375 12.1702 12.1702 15.7486 15.7486 15.8079 15.8079 k = 0.0000 0.0000 0.0108 ( 3539 PWs) bands (ev): -9.3097 -9.3096 -8.6257 -8.6253 -8.5751 -8.5748 1.0160 1.0799 1.1588 1.2532 1.6344 1.6664 1.8973 1.9030 2.1548 2.1768 2.1833 2.1851 2.3255 2.3707 2.4313 2.4874 3.4878 3.4879 3.5325 3.5337 3.6729 3.6904 3.7168 3.7334 4.0896 4.0938 4.1687 4.1833 4.3613 4.3624 5.1831 5.2578 5.2841 5.3453 6.2927 6.3035 6.6027 6.6154 6.8616 6.8638 6.8674 6.8705 8.1673 8.1795 8.4444 8.4488 8.4876 8.4911 10.1641 10.1735 12.0742 12.1096 12.1978 12.2277 15.6242 15.6804 15.8786 15.9411 k = 0.0000 0.0000 0.0217 ( 3539 PWs) bands (ev): -9.3077 -9.3077 -8.6517 -8.6513 -8.5509 -8.5505 0.9831 1.1102 1.1123 1.3006 1.6186 1.6825 1.8964 1.9081 2.1378 2.1716 2.1880 2.1942 2.3084 2.3994 2.4075 2.5198 3.4880 3.4884 3.5323 3.5346 3.6633 3.6981 3.7063 3.7390 4.0872 4.0956 4.1615 4.1906 4.3600 4.3622 5.1469 5.2541 5.2957 5.3760 6.2217 6.2363 6.6634 6.6819 6.8642 6.8686 6.8695 6.8757 8.1607 8.1852 8.4208 8.4263 8.5068 8.5105 10.1646 10.1834 12.0079 12.0462 12.2546 12.2820 15.5057 15.5591 16.0138 16.0798 k = 0.0000 0.0000 0.0325 ( 3539 PWs) bands (ev): -9.3045 -9.3044 -8.6782 -8.6778 -8.5274 -8.5270 0.9500 1.0668 1.1391 1.3477 1.6029 1.6985 1.8968 1.9149 2.1197 2.1656 2.1901 2.2029 2.2942 2.3865 2.4322 2.5550 3.4880 3.4895 3.5326 3.5358 3.6534 3.6947 3.7051 3.7424 4.0846 4.0974 4.1544 4.1980 4.3582 4.3617 5.1118 5.2246 5.3335 5.4065 6.1382 6.1536 6.7357 6.7572 6.8692 6.8740 6.8759 6.8836 8.1539 8.1908 8.3959 8.4035 8.5240 8.5284 10.1685 10.1965 11.9390 11.9803 12.3079 12.3327 15.3935 15.4441 16.1538 16.2236 k = 0.0000 0.0000 0.0434 ( 3539 PWs) bands (ev): -9.3000 -9.2999 -8.7050 -8.7046 -8.5047 -8.5044 0.9172 1.0225 1.1664 1.3941 1.5875 1.7144 1.8980 1.9232 2.1012 2.1592 2.1914 2.2097 2.2821 2.3681 2.4687 2.5930 3.4873 3.4912 3.5332 3.5369 3.6432 3.6825 3.7111 3.7437 4.0818 4.0991 4.1473 4.2053 4.3558 4.3608 5.0782 5.1960 5.3709 5.4366 6.0499 6.0650 6.8091 6.8326 6.8764 6.8813 6.8856 6.8946 8.1471 8.1968 8.3702 8.3805 8.5393 8.5447 10.1760 10.2128 11.8678 11.9122 12.3573 12.3798 15.2879 15.3358 16.2981 16.3720 k = 0.0000 0.0000 0.0542 ( 3540 PWs) bands (ev): -9.2942 -9.2941 -8.7320 -8.7316 -8.4831 -8.4827 0.8850 0.9797 1.1918 1.4395 1.5724 1.7301 1.9001 1.9331 2.0827 2.1525 2.1920 2.2149 2.2714 2.3520 2.5086 2.6337 3.4857 3.4935 3.5340 3.5380 3.6329 3.6704 3.7163 3.7429 4.0789 4.1009 4.1403 4.2126 4.3528 4.3595 5.0463 5.1684 5.4075 5.4662 5.9600 5.9743 6.8763 6.8838 6.8856 6.8976 6.9119 6.9124 8.1405 8.2034 8.3437 8.3579 8.5524 8.5591 10.1872 10.2324 11.7946 11.8422 12.4028 12.4229 15.1892 15.2345 16.4463 16.5248 k = 0.0000 0.0000 0.0651 ( 3540 PWs) bands (ev): -9.2871 -9.2870 -8.7592 -8.7588 -8.4625 -8.4621 0.8536 0.9386 1.2152 1.4836 1.5576 1.7453 1.9027 1.9444 2.0649 2.1458 2.1919 2.2189 2.2619 2.3380 2.5515 2.6769 3.4824 3.4963 3.5351 3.5389 3.6226 3.6591 3.7204 3.7398 4.0759 4.1029 4.1334 4.2199 4.3491 4.3578 5.0166 5.1420 5.4433 5.4950 5.8700 5.8831 6.8961 6.8965 6.9119 6.9128 6.9580 6.9800 8.1343 8.2111 8.3167 8.3362 8.5631 8.5715 10.2020 10.2552 11.7196 11.7705 12.4443 12.4621 15.0977 15.1403 16.5980 16.6816 k = 0.0000 0.0000 0.0759 ( 3540 PWs) bands (ev): -9.2788 -9.2787 -8.7865 -8.7861 -8.4430 -8.4427 0.8235 0.8994 1.2368 1.5261 1.5431 1.7601 1.9056 1.9569 2.0479 2.1394 2.1911 2.2218 2.2530 2.3258 2.5971 2.7224 3.4769 3.4996 3.5362 3.5396 3.6125 3.6494 3.7235 3.7346 4.0728 4.1052 4.1266 4.2271 4.3447 4.3558 4.9893 5.1171 5.4777 5.5229 5.7809 5.7923 6.9077 6.9089 6.9284 6.9322 7.0179 7.0442 8.1287 8.2205 8.2895 8.3162 8.5714 8.5817 10.2205 10.2812 11.6433 11.6976 12.4815 12.4973 15.0134 15.0534 16.7524 16.8417 k = 0.0000 0.0000 0.0867 ( 3534 PWs) bands (ev): -9.2692 -9.2691 -8.8137 -8.8133 -8.4247 -8.4244 0.7949 0.8625 1.2565 1.5290 1.5668 1.7743 1.9087 1.9705 2.0320 2.1338 2.1896 2.2239 2.2445 2.3151 2.6448 2.7700 3.4685 3.5029 3.5373 3.5401 3.6028 3.6420 3.7255 3.7274 4.0699 4.1080 4.1200 4.2343 4.3394 4.3534 4.9647 5.0940 5.5106 5.5495 5.6937 5.7030 6.9203 6.9224 6.9470 6.9513 7.0734 7.1020 8.1236 8.2320 8.2623 8.2988 8.5771 8.5897 10.2428 10.3104 11.5658 11.6236 12.5147 12.5284 14.9367 14.9739 16.9092 17.0049 k = 0.0000 0.0000 0.0976 ( 3540 PWs) bands (ev): -9.2585 -9.2584 -8.8408 -8.8404 -8.4078 -8.4075 0.7680 0.8278 1.2744 1.5153 1.6053 1.7876 1.9119 1.9848 2.0174 2.1290 2.1874 2.2248 2.2368 2.3055 2.6943 2.8194 3.4568 3.5057 3.5383 3.5406 3.5936 3.6374 3.7186 3.7264 4.0672 4.1114 4.1135 4.2414 4.3331 4.3508 4.9432 5.0728 5.5416 5.5748 5.6091 5.6156 6.9336 6.9366 6.9675 6.9718 7.1220 7.1521 8.1186 8.2354 8.2461 8.2855 8.5800 8.5951 10.2689 10.3427 11.4876 11.5490 12.5437 12.5556 14.8675 14.9019 17.0675 17.1705 k = 0.0000 0.0000 0.1084 ( 3540 PWs) bands (ev): -9.2465 -9.2464 -8.8677 -8.8673 -8.3922 -8.3919 0.7433 0.7958 1.2907 1.5019 1.6414 1.8000 1.9150 1.9997 2.0041 2.1255 2.1845 2.2232 2.2313 2.2970 2.7452 2.8703 3.4415 3.5066 3.5394 3.5419 3.5850 3.6356 3.7083 3.7261 4.0648 4.1072 4.1156 4.2483 4.3258 4.3478 4.9251 5.0539 5.5277 5.5308 5.5706 5.5984 6.9475 6.9512 6.9898 6.9936 7.1628 7.1938 8.1131 8.2092 8.2630 8.2778 8.5801 8.5979 10.2988 10.3781 11.4090 11.4740 12.5687 12.5788 14.8058 14.8374 17.2268 17.3380 k = 0.0000 0.0000 0.1193 ( 3552 PWs) bands (ev): -9.2334 -9.2333 -8.8944 -8.8940 -8.3780 -8.3778 0.7207 0.7664 1.3056 1.4890 1.6749 1.8111 1.9180 1.9921 2.0148 2.1233 2.1809 2.2170 2.2301 2.2891 2.7970 2.9223 3.4230 3.5042 3.5404 3.5449 3.5771 3.6363 3.6969 3.7248 4.0627 4.1012 4.1208 4.2552 4.3173 4.3445 4.9109 5.0376 5.4493 5.4505 5.5972 5.6202 6.9615 6.9656 7.0135 7.0166 7.1953 7.2266 8.1063 8.1839 8.2769 8.2829 8.5772 8.5980 10.3326 10.4166 11.3303 11.3990 12.5899 12.5984 14.7517 14.7801 17.3859 17.5065 k = 0.0000 0.0000 0.1301 ( 3552 PWs) bands (ev): -9.2191 -9.2190 -8.9207 -8.9204 -8.3653 -8.3652 0.7007 0.7399 1.3193 1.4764 1.7056 1.8207 1.9208 1.9815 2.0300 2.1226 2.1766 2.2091 2.2304 2.2819 2.8491 2.9749 3.4015 3.4975 3.5415 3.5500 3.5702 3.6391 3.6850 3.7223 4.0611 4.0954 4.1270 4.2620 4.3076 4.3410 4.9008 5.0242 5.3716 5.3780 5.6213 5.6400 6.9754 6.9797 7.0385 7.0405 7.2196 7.2503 8.0980 8.1599 8.2834 8.3056 8.5713 8.5952 10.3704 10.4583 11.2518 11.3242 12.6075 12.6146 14.7049 14.7302 17.5441 17.6753 k = 0.0000 0.0000 0.1410 ( 3552 PWs) bands (ev): -9.2037 -9.2036 -8.9466 -8.9463 -8.3543 -8.3541 0.6833 0.7164 1.3321 1.4642 1.7333 1.8286 1.9236 1.9723 2.0450 2.1233 2.1714 2.2009 2.2311 2.2751 2.9010 3.0276 3.3773 3.4860 3.5426 3.5567 3.5642 3.6434 3.6730 3.7189 4.0600 4.0899 4.1346 4.2687 4.2965 4.3371 4.8952 5.0140 5.2984 5.3109 5.6427 5.6575 6.9886 6.9929 7.0644 7.0651 7.2359 7.2652 8.0887 8.1377 8.2969 8.3307 8.5623 8.5895 10.4121 10.5031 11.1740 11.2501 12.6219 12.6277 14.6653 14.6873 17.7001 17.8433 k = 0.0000 0.0000 0.1518 ( 3540 PWs) bands (ev): -9.1872 -9.1870 -8.9721 -8.9717 -8.3448 -8.3446 0.6687 0.6959 1.3440 1.4524 1.7577 1.8346 1.9264 1.9644 2.0597 2.1254 2.1655 2.1925 2.2321 2.2687 2.9522 3.0800 3.3507 3.4696 3.5435 3.5593 3.5645 3.6489 3.6613 3.7146 4.0594 4.0847 4.1435 4.2754 4.2842 4.3329 4.8946 5.0076 5.2301 5.2499 5.6611 5.6727 7.0009 7.0048 7.0900 7.0909 7.2447 7.2720 8.0793 8.1175 8.3162 8.3576 8.5503 8.5808 10.4577 10.5510 11.0973 11.1769 12.6334 12.6380 14.6327 14.6512 17.8527 18.0091 k = 0.0000 0.0000 0.1626 ( 3552 PWs) bands (ev): -9.1697 -9.1695 -8.9970 -8.9967 -8.3369 -8.3368 0.6571 0.6786 1.3553 1.4409 1.7789 1.8385 1.9293 1.9578 2.0738 2.1288 2.1587 2.1841 2.2333 2.2628 3.0022 3.1315 3.3217 3.4484 3.5444 3.5553 3.5731 3.6501 3.6551 3.7094 4.0594 4.0800 4.1539 4.2706 4.2820 4.3284 4.8994 5.0054 5.1674 5.1955 5.6765 5.6852 7.0117 7.0151 7.1147 7.1175 7.2467 7.2714 8.0707 8.0998 8.3396 8.3856 8.5352 8.5691 10.5071 10.6019 11.0219 11.1048 12.6422 12.6457 14.6067 14.6218 18.0003 18.1710 k = 0.0000 0.0000 0.1735 ( 3552 PWs) bands (ev): -9.1512 -9.1510 -9.0213 -9.0210 -8.3308 -8.3307 0.6485 0.6645 1.3662 1.4298 1.7968 1.8402 1.9321 1.9523 2.0873 2.1333 2.1512 2.1758 2.2351 2.2572 3.0505 3.1815 3.2905 3.4223 3.5452 3.5522 3.5821 3.6395 3.6619 3.7036 4.0600 4.0756 4.1658 4.2559 4.2885 4.3236 4.9100 5.0078 5.1107 5.1480 5.6888 5.6949 7.0207 7.0234 7.1389 7.1439 7.2427 7.2646 8.0638 8.0849 8.3657 8.4139 8.5171 8.5544 10.5603 10.6557 10.9482 11.0342 12.6488 12.6513 14.5873 14.5987 18.1414 18.3265 k = 0.0000 0.0000 0.1843 ( 3540 PWs) bands (ev): -9.1317 -9.1314 -9.0449 -9.0446 -8.3264 -8.3264 0.6430 0.6536 1.3769 1.4189 1.8113 1.8396 1.9349 1.9478 2.1001 2.1389 2.1427 2.1676 2.2373 2.2522 3.0968 3.2296 3.2568 3.3916 3.5458 3.5500 3.5914 3.6295 3.6689 3.6972 4.0612 4.0717 4.1791 4.2405 4.2948 4.3184 4.9268 5.0154 5.0604 5.1077 5.6978 5.7018 7.0276 7.0295 7.1622 7.1695 7.2337 7.2525 8.0593 8.0731 8.3932 8.4417 8.4963 8.5368 10.6171 10.7125 10.8766 10.9654 12.6534 12.6550 14.5742 14.5818 18.2744 18.4725 k = 0.0000 0.0000 0.1952 ( 3540 PWs) bands (ev): -9.1113 -9.1110 -9.0678 -9.0675 -8.3238 -8.3237 0.6408 0.6460 1.3873 1.4083 1.8227 1.8366 1.9378 1.9440 2.1120 2.1333 2.1452 2.1597 2.2402 2.2476 3.1406 3.2207 3.2751 3.3566 3.5465 3.5484 3.6008 3.6198 3.6762 3.6904 4.0630 4.0683 4.1936 4.2247 4.3011 4.3129 4.9500 5.0168 5.0287 5.0745 5.7036 5.7055 7.0320 7.0330 7.1839 7.1939 7.2203 7.2361 8.0578 8.0645 8.4208 8.4685 8.4730 8.5164 10.6774 10.7720 10.8074 10.8986 12.6562 12.6570 14.5672 14.5710 18.3977 18.6047 k = 0.0000 0.0000 0.2060 ( 3540 PWs) bands (ev): -9.0900 -9.0900 -9.0897 -9.0897 -8.3229 -8.3229 0.6418 0.6418 1.3978 1.3978 1.8310 1.8310 1.9408 1.9408 2.1231 2.1231 2.1522 2.1522 2.2436 2.2436 3.1820 3.1820 3.3176 3.3176 3.5473 3.5473 3.6102 3.6102 3.6834 3.6834 4.0654 4.0654 4.2089 4.2089 4.3071 4.3071 4.9800 4.9800 5.0483 5.0483 5.7062 5.7062 7.0339 7.0339 7.2035 7.2035 7.2163 7.2163 8.0595 8.0595 8.4477 8.4477 8.4935 8.4935 10.7409 10.7409 10.8341 10.8341 12.6574 12.6574 14.5661 14.5661 18.5102 18.5102 k = 0.0000 0.0000 0.2060 ( 3540 PWs) bands (ev): -9.0900 -9.0900 -9.0897 -9.0897 -8.3229 -8.3229 0.6418 0.6418 1.3978 1.3978 1.8310 1.8310 1.9408 1.9408 2.1231 2.1231 2.1522 2.1522 2.2436 2.2436 3.1820 3.1820 3.3176 3.3176 3.5473 3.5473 3.6102 3.6102 3.6834 3.6834 4.0654 4.0654 4.2089 4.2089 4.3071 4.3071 4.9800 4.9800 5.0483 5.0483 5.7062 5.7062 7.0339 7.0339 7.2035 7.2035 7.2163 7.2163 8.0595 8.0595 8.4477 8.4477 8.4935 8.4935 10.7409 10.7409 10.8341 10.8341 12.6574 12.6574 14.5661 14.5661 18.5102 18.5102 k = 0.0098 0.0057 0.2060 ( 3536 PWs) bands (ev): -9.0898 -9.0897 -9.0895 -9.0893 -8.3229 -8.3229 0.6418 0.6425 1.3981 1.3981 1.8271 1.8350 1.9406 1.9416 2.1230 2.1230 2.1521 2.1530 2.2431 2.2442 3.1760 3.1874 3.3175 3.3175 3.5420 3.5530 3.6098 3.6099 3.6829 3.6839 4.0651 4.0654 4.2028 4.2149 4.3073 4.3073 4.9800 4.9801 5.0485 5.0492 5.7054 5.7079 7.0292 7.0368 7.2022 7.2029 7.2129 7.2198 8.0498 8.0670 8.4394 8.4557 8.4934 8.4940 10.7418 10.7418 10.8343 10.8354 12.6617 12.6621 14.5648 14.5658 18.5044 18.5049 k = 0.0196 0.0113 0.2060 ( 3540 PWs) bands (ev): -9.0892 -9.0890 -9.0888 -9.0884 -8.3230 -8.3230 0.6425 0.6439 1.3990 1.3990 1.8233 1.8391 1.9410 1.9430 2.1225 2.1228 2.1528 2.1545 2.2428 2.2449 3.1695 3.1922 3.3170 3.3173 3.5372 3.5592 3.6087 3.6090 3.6824 3.6845 4.0646 4.0652 4.1966 4.2206 4.3077 4.3078 4.9800 4.9804 5.0496 5.0514 5.7054 5.7104 7.0231 7.0378 7.1969 7.2016 7.2103 7.2235 8.0387 8.0720 8.4321 8.4601 8.4928 8.4976 10.7446 10.7448 10.8363 10.8383 12.6752 12.6760 14.5619 14.5638 18.4865 18.4898 k = 0.0294 0.0170 0.2060 ( 3544 PWs) bands (ev): -9.0883 -9.0879 -9.0876 -9.0870 -8.3231 -8.3231 0.6440 0.6460 1.4005 1.4005 1.8197 1.8433 1.9419 1.9451 2.1218 2.1225 2.1543 2.1564 2.2425 2.2458 3.1626 3.1961 3.3161 3.3170 3.5330 3.5656 3.6066 3.6076 3.6821 3.6851 4.0639 4.0647 4.1906 4.2260 4.3084 4.3086 4.9797 4.9812 5.0516 5.0551 5.7064 5.7137 7.0155 7.0368 7.1879 7.1990 7.2087 7.2279 8.0266 8.0743 8.4256 8.4580 8.4920 8.5069 10.7493 10.7497 10.8402 10.8428 12.6976 12.6987 14.5572 14.5602 18.4558 18.4660 k = 0.0392 0.0226 0.2060 ( 3544 PWs) bands (ev): -9.0870 -9.0863 -9.0858 -9.0850 -8.3233 -8.3233 0.6462 0.6489 1.4026 1.4026 1.8162 1.8474 1.9432 1.9479 2.1208 2.1223 2.1564 2.1588 2.2424 2.2468 3.1555 3.1992 3.3147 3.3167 3.5293 3.5722 3.6037 3.6060 3.6819 3.6857 4.0630 4.0640 4.1846 4.2311 4.3092 4.3099 4.9790 4.9825 5.0543 5.0602 5.7083 5.7178 7.0068 7.0338 7.1761 7.1933 7.2090 7.2329 8.0139 8.0736 8.4187 8.4501 8.4918 8.5204 10.7559 10.7569 10.8463 10.8490 12.7285 12.7298 14.5509 14.5549 18.4128 18.4345 k = 0.0490 0.0283 0.2060 ( 3544 PWs) bands (ev): -9.0853 -9.0844 -9.0835 -9.0825 -8.3236 -8.3236 0.6490 0.6524 1.4052 1.4052 1.8130 1.8515 1.9450 1.9513 2.1197 2.1223 2.1591 2.1615 2.2424 2.2480 3.1481 3.2013 3.3128 3.3166 3.5262 3.5790 3.5999 3.6042 3.6818 3.6864 4.0620 4.0631 4.1789 4.2357 4.3103 4.3115 4.9779 4.9842 5.0576 5.0669 5.7111 5.7226 6.9970 7.0289 7.1621 7.1845 7.2114 7.2386 8.0011 8.0703 8.4099 8.4381 8.4933 8.5360 10.7646 10.7664 10.8547 10.8572 12.7676 12.7689 14.5429 14.5480 18.3580 18.3955 k = 0.0588 0.0340 0.2060 ( 3544 PWs) bands (ev): -9.0832 -9.0821 -9.0806 -9.0795 -8.3239 -8.3239 0.6525 0.6565 1.4084 1.4084 1.8099 1.8556 1.9472 1.9555 2.1186 2.1225 2.1622 2.1645 2.2425 2.2494 3.1405 3.2024 3.3104 3.3167 3.5237 3.5857 3.5954 3.6025 3.6817 3.6872 4.0609 4.0622 4.1735 4.2398 4.3115 4.3135 4.9765 4.9864 5.0615 5.0751 5.7148 5.7280 6.9863 7.0222 7.1463 7.1732 7.2153 7.2448 7.9885 8.0646 8.3977 8.4227 8.4975 8.5523 10.7757 10.7783 10.8655 10.8676 12.8143 12.8156 14.5333 14.5395 18.2920 18.3491 k = 0.0686 0.0396 0.2060 ( 3540 PWs) bands (ev): -9.0806 -9.0795 -9.0773 -9.0760 -8.3242 -8.3242 0.6566 0.6612 1.4121 1.4121 1.8071 1.8595 1.9496 1.9603 2.1176 2.1230 2.1655 2.1678 2.2427 2.2509 3.1329 3.2024 3.3074 3.3169 3.5218 3.5896 3.5925 3.6013 3.6817 3.6882 4.0597 4.0614 4.1684 4.2433 4.3127 4.3159 4.9747 4.9890 5.0660 5.0845 5.7195 5.7340 6.9748 7.0139 7.1291 7.1600 7.2204 7.2512 7.9761 8.0570 8.3813 8.4040 8.5043 8.5688 10.7893 10.7928 10.8789 10.8805 12.8681 12.8691 14.5221 14.5294 18.2158 18.2954 k = 0.0784 0.0453 0.2060 ( 3540 PWs) bands (ev): -9.0778 -9.0764 -9.0734 -9.0720 -8.3246 -8.3246 0.6612 0.6664 1.4162 1.4163 1.8046 1.8635 1.9523 1.9657 2.1168 2.1238 2.1688 2.1716 2.2430 2.2527 3.1252 3.2014 3.3040 3.3173 3.5205 3.5844 3.5956 3.6030 3.6816 3.6895 4.0583 4.0607 4.1637 4.2464 4.3140 4.3186 4.9726 4.9919 5.0712 5.0952 5.7249 5.7406 6.9626 7.0041 7.1108 7.1453 7.2265 7.2579 7.9642 8.0480 8.3606 8.3824 8.5132 8.5849 10.8058 10.8100 10.8945 10.8962 12.9284 12.9291 14.5092 14.5178 18.1302 18.2343 k = 0.0882 0.0509 0.2060 ( 3544 PWs) bands (ev): -9.0746 -9.0730 -9.0691 -9.0675 -8.3251 -8.3251 0.6664 0.6721 1.4208 1.4209 1.8024 1.8674 1.9551 1.9716 2.1162 2.1248 2.1721 2.1758 2.2434 2.2546 3.1175 3.1992 3.3001 3.3177 3.5198 3.5785 3.5952 3.6086 3.6817 3.6909 4.0569 4.0603 4.1594 4.2489 4.3153 4.3217 4.9704 4.9950 5.0770 5.1069 5.7312 5.7476 6.9497 6.9931 7.0916 7.1295 7.2335 7.2647 7.9528 8.0380 8.3358 8.3577 8.5235 8.6003 10.8253 10.8301 10.9123 10.9149 12.9944 12.9951 14.4948 14.5047 18.0359 18.1657 k = 0.0980 0.0566 0.2060 ( 3536 PWs) bands (ev): -9.0710 -9.0693 -9.0643 -9.0625 -8.3256 -8.3255 0.6720 0.6782 1.4258 1.4260 1.8004 1.8714 1.9579 1.9778 2.1160 2.1262 2.1754 2.1802 2.2439 2.2569 3.1099 3.1961 3.2958 3.3183 3.5196 3.5725 3.5941 3.6148 3.6819 3.6928 4.0555 4.0603 4.1556 4.2511 4.3166 4.3251 4.9682 4.9982 5.0835 5.1194 5.7382 5.7550 6.9364 6.9811 7.0720 7.1130 7.2412 7.2717 7.9420 8.0273 8.3072 8.3303 8.5345 8.6147 10.8479 10.8531 10.9326 10.9364 13.0653 13.0666 14.4787 14.4900 17.9338 18.0895 k = 0.1078 0.0623 0.2060 ( 3536 PWs) bands (ev): -9.0671 -9.0653 -9.0590 -9.0571 -8.3261 -8.3260 0.6780 0.6846 1.4312 1.4313 1.7988 1.8754 1.9607 1.9843 2.1160 2.1277 2.1788 2.1848 2.2446 2.2594 3.1023 3.1919 3.2914 3.3188 3.5198 3.5666 3.5930 3.6209 3.6823 3.6950 4.0541 4.0606 4.1522 4.2528 4.3178 4.3287 4.9660 5.0015 5.0908 5.1327 5.7459 5.7626 6.9226 6.9684 7.0522 7.0963 7.2494 7.2786 7.9317 8.0162 8.2750 8.3002 8.5457 8.6280 10.8736 10.8791 10.9554 10.9606 13.1409 13.1431 14.4611 14.4739 17.8248 18.0059 k = 0.1176 0.0679 0.2060 ( 3524 PWs) bands (ev): -9.0628 -9.0609 -9.0533 -9.0513 -8.3266 -8.3266 0.6844 0.6914 1.4368 1.4370 1.7975 1.8795 1.9634 1.9909 2.1164 2.1295 2.1823 2.1895 2.2454 2.2622 3.0949 3.1868 3.2868 3.3192 3.5205 3.5609 3.5922 3.6266 3.6830 3.6978 4.0529 4.0614 4.1492 4.2543 4.3190 4.3325 4.9640 5.0047 5.0988 5.1467 5.7541 5.7705 6.9083 6.9551 7.0324 7.0795 7.2578 7.2855 7.9220 8.0049 8.2397 8.2678 8.5566 8.6400 10.9020 10.9083 10.9806 10.9874 13.2206 13.2238 14.4420 14.4564 17.7098 17.9149 k = 0.1275 0.0736 0.2060 ( 3526 PWs) bands (ev): -9.0583 -9.0563 -9.0472 -9.0451 -8.3272 -8.3271 0.6910 0.6983 1.4426 1.4429 1.7965 1.8838 1.9657 1.9975 2.1172 2.1314 2.1860 2.1943 2.2464 2.2654 3.0877 3.1808 3.2823 3.3196 3.5216 3.5558 3.5917 3.6317 3.6838 3.7013 4.0518 4.0628 4.1467 4.2556 4.3200 4.3366 4.9622 5.0080 5.1074 5.1611 5.7628 5.7784 6.8937 6.9414 7.0128 7.0631 7.2663 7.2923 7.9126 7.9935 8.2017 8.2334 8.5670 8.6506 10.9327 10.9408 11.0081 11.0170 13.3039 13.3083 14.4214 14.4374 17.5896 17.8170 k = 0.1373 0.0792 0.2060 ( 3518 PWs) bands (ev): -9.0535 -9.0513 -9.0408 -9.0385 -8.3277 -8.3277 0.6978 0.7054 1.4485 1.4491 1.7959 1.8882 1.9678 2.0037 2.1182 2.1335 2.1898 2.1990 2.2477 2.2691 3.0808 3.1740 3.2780 3.3198 3.5230 3.5512 3.5915 3.6363 3.6848 3.7056 4.0509 4.0647 4.1446 4.2567 4.3210 4.3408 4.9609 5.0112 5.1167 5.1759 5.7716 5.7864 6.8788 6.9275 6.9936 7.0474 7.2744 7.2990 7.9037 7.9822 8.1615 8.1975 8.5766 8.6597 10.9654 10.9766 11.0377 11.0494 13.3903 13.3962 14.3994 14.4172 17.4652 17.7126 k = 0.1471 0.0849 0.2060 ( 3518 PWs) bands (ev): -9.0484 -9.0461 -9.0339 -9.0315 -8.3283 -8.3282 0.7048 0.7125 1.4545 1.4554 1.7957 1.8929 1.9694 2.0097 2.1194 2.1357 2.1938 2.2037 2.2493 2.2732 3.0741 3.1664 3.2738 3.3199 3.5247 3.5472 3.5917 3.6404 3.6858 3.7109 4.0503 4.0673 4.1429 4.2577 4.3218 4.3451 4.9600 5.0145 5.1266 5.1911 5.7805 5.7945 6.8635 6.9134 6.9750 7.0324 7.2816 7.3056 7.8949 7.9709 8.1198 8.1608 8.5853 8.6674 10.9997 11.0151 11.0691 11.0845 13.4795 13.4869 14.3759 14.3956 17.3374 17.6020 k = 0.1569 0.0906 0.2060 ( 3514 PWs) bands (ev): -9.0431 -9.0407 -9.0268 -9.0243 -8.3289 -8.3288 0.7119 0.7197 1.4605 1.4618 1.7959 1.8979 1.9706 2.0151 2.1206 2.1378 2.1980 2.2080 2.2511 2.2779 3.0678 3.1583 3.2701 3.3200 3.5266 3.5441 3.5921 3.6440 3.6869 3.7170 4.0499 4.0705 4.1417 4.2587 4.3225 4.3497 4.9598 5.0180 5.1371 5.2065 5.7891 5.8026 6.8482 6.8994 6.9571 7.0185 7.2872 7.3122 7.8862 7.9599 8.0773 8.1237 8.5931 8.6736 11.0355 11.0563 11.1023 11.1223 13.5710 13.5800 14.3511 14.3727 17.2069 17.4858 k = 0.1667 0.0962 0.2060 ( 3516 PWs) bands (ev): -9.0375 -9.0351 -9.0193 -9.0167 -8.3295 -8.3294 0.7190 0.7268 1.4664 1.4682 1.7965 1.9031 1.9715 2.0200 2.1217 2.1400 2.2025 2.2121 2.2534 2.2831 3.0619 3.1498 3.2668 3.3200 3.5288 3.5419 3.5929 3.6474 3.6881 3.7239 4.0499 4.0743 4.1409 4.2598 4.3232 4.3543 4.9603 5.0216 5.1479 5.2222 5.7972 5.8107 6.8327 6.8854 6.9400 7.0057 7.2905 7.3187 7.8770 7.9491 8.0350 8.0871 8.5997 8.6783 11.0726 11.0995 11.1371 11.1624 13.6642 13.6749 14.3252 14.3488 17.0745 17.3645 k = 0.1765 0.1019 0.2060 ( 3520 PWs) bands (ev): -9.0318 -9.0292 -9.0116 -9.0089 -8.3300 -8.3299 0.7260 0.7337 1.4721 1.4745 1.7975 1.9085 1.9720 2.0242 2.1226 2.1422 2.2073 2.2157 2.2561 2.2889 3.0566 3.1409 3.2640 3.3202 3.5311 3.5405 3.5940 3.6508 3.6894 3.7314 4.0502 4.0786 4.1405 4.2610 4.3239 4.3592 4.9617 5.0256 5.1592 5.2380 5.8045 5.8190 6.8174 6.8714 6.9239 6.9941 7.2910 7.3246 7.8669 7.9385 7.9946 8.0516 8.6053 8.6817 11.1107 11.1445 11.1733 11.2047 13.7587 13.7712 14.2982 14.3239 16.9409 17.2386 k = 0.1863 0.1075 0.2060 ( 3522 PWs) bands (ev): -9.0259 -9.0232 -9.0036 -9.0008 -8.3306 -8.3304 0.7330 0.7404 1.4776 1.4807 1.7989 1.9140 1.9722 2.0279 2.1231 2.1442 2.2122 2.2188 2.2592 2.2953 3.0519 3.1320 3.2617 3.3205 3.5335 3.5401 3.5953 3.6542 3.6909 3.7394 4.0509 4.0836 4.1406 4.2624 4.3245 4.3641 4.9640 5.0300 5.1708 5.2539 5.8110 5.8272 6.8023 6.8572 6.9088 6.9836 7.2883 7.3292 7.8546 7.9282 7.9579 8.0183 8.6097 8.6836 11.1498 11.1907 11.2108 11.2487 13.8538 13.8678 14.2708 14.2983 16.8067 17.1087 k = 0.1961 0.1132 0.2060 ( 3518 PWs) bands (ev): -9.0198 -9.0171 -8.9954 -8.9925 -8.3311 -8.3309 0.7398 0.7469 1.4828 1.4868 1.8007 1.9194 1.9723 2.0309 2.1230 2.1462 2.2171 2.2216 2.2627 2.3022 3.0479 3.1232 3.2599 3.3210 3.5360 3.5405 3.5968 3.6578 3.6926 3.7477 4.0520 4.0891 4.1412 4.2640 4.3252 4.3692 4.9673 5.0349 5.1826 5.2700 5.8165 5.8352 6.7875 6.8428 6.8951 6.9743 7.2819 7.3316 7.8386 7.9182 7.9276 7.9879 8.6130 8.6843 11.1896 11.2379 11.2494 11.2942 13.9485 13.9631 14.2440 14.2728 16.6726 16.9756 k = 0.2059 0.1189 0.2060 ( 3522 PWs) bands (ev): -9.0135 -9.0108 -8.9870 -8.9841 -8.3316 -8.3314 0.7463 0.7531 1.4875 1.4925 1.8029 1.9246 1.9726 2.0334 2.1224 2.1480 2.2208 2.2252 2.2665 2.3097 3.0447 3.1148 3.2587 3.3219 3.5387 3.5418 3.5984 3.6616 3.6947 3.7562 4.0535 4.0950 4.1424 4.2658 4.3259 4.3743 4.9717 5.0405 5.1946 5.2861 5.8212 5.8428 6.7730 6.8281 6.8826 6.9660 7.2716 7.3308 7.8187 7.9050 7.9091 7.9612 8.6152 8.6837 11.2301 11.2854 11.2893 11.3407 14.0404 14.0515 14.2222 14.2504 16.5391 16.8400 k = 0.2157 0.1245 0.2060 ( 3524 PWs) bands (ev): -9.0072 -9.0044 -8.9785 -8.9755 -8.3320 -8.3318 0.7527 0.7589 1.4918 1.4979 1.8054 1.9291 1.9734 2.0354 2.1212 2.1498 2.2225 2.2305 2.2702 2.3176 3.0424 3.1069 3.2581 3.3231 3.5414 3.5439 3.6002 3.6656 3.6972 3.7648 4.0556 4.1013 4.1440 4.2679 4.3268 4.3796 4.9771 5.0467 5.2067 5.3023 5.8252 5.8500 6.7588 6.8131 6.8715 6.9585 7.2571 7.3257 7.7970 7.8897 7.9000 7.9388 8.6163 8.6819 11.2710 11.3290 11.3341 11.3878 14.1080 14.1196 14.2219 14.2485 16.4070 16.7029 k = 0.2255 0.1302 0.2060 ( 3520 PWs) bands (ev): -9.0008 -8.9980 -8.9699 -8.9669 -8.3324 -8.3322 0.7587 0.7644 1.4956 1.5028 1.8082 1.9327 1.9751 2.0370 2.1194 2.1513 2.2232 2.2363 2.2739 2.3258 3.0410 3.0999 3.2580 3.3247 3.5443 3.5467 3.6020 3.6698 3.7003 3.7734 4.0581 4.1079 4.1463 4.2702 4.3279 4.3849 4.9837 5.0538 5.2189 5.3186 5.8286 5.8565 6.7446 6.7980 6.8617 6.9515 7.2386 7.3155 7.7771 7.8785 7.8919 7.9212 8.6162 8.6790 11.3123 11.3702 11.3817 11.4354 14.1067 14.1433 14.2694 14.3083 16.2769 16.5654 k = 0.2353 0.1358 0.2060 ( 3520 PWs) bands (ev): -8.9943 -8.9915 -8.9612 -8.9581 -8.3328 -8.3326 0.7644 0.7695 1.4987 1.5071 1.8114 1.9349 1.9780 2.0384 2.1171 2.1528 2.2232 2.2424 2.2774 2.3342 3.0406 3.0939 3.2584 3.3267 3.5472 3.5503 3.6039 3.6742 3.7040 3.7818 4.0611 4.1147 4.1492 4.2728 4.3292 4.3903 4.9914 5.0618 5.2310 5.3349 5.8315 5.8624 6.7300 6.7829 6.8531 6.9447 7.2163 7.2999 7.7618 7.8695 7.8848 7.9086 8.6151 8.6750 11.3538 11.4117 11.4292 11.4831 14.0802 14.1237 14.3515 14.3969 16.1495 16.4286 k = 0.2451 0.1415 0.2060 ( 3516 PWs) bands (ev): -8.9877 -8.9849 -8.9524 -8.9494 -8.3331 -8.3329 0.7697 0.7742 1.5012 1.5108 1.8148 1.9357 1.9819 2.0396 2.1143 2.1541 2.2228 2.2485 2.2807 2.3427 3.0411 3.0890 3.2593 3.3292 3.5499 3.5547 3.6058 3.6787 3.7086 3.7901 4.0647 4.1216 4.1528 4.2755 4.3308 4.3957 5.0001 5.0707 5.2430 5.3512 5.8341 5.8678 6.7146 6.7682 6.8456 6.9375 7.1911 7.2792 7.7519 7.8616 7.8787 7.9010 8.6128 8.6701 11.3951 11.4533 11.4761 11.5306 14.0469 14.0942 14.4387 14.4904 16.0257 16.2937 k = 0.2549 0.1472 0.2060 ( 3522 PWs) bands (ev): -8.9812 -8.9784 -8.9437 -8.9407 -8.3333 -8.3331 0.7747 0.7784 1.5029 1.5137 1.8185 1.9354 1.9867 2.0408 2.1110 2.1553 2.2220 2.2544 2.2840 2.3510 3.0424 3.0856 3.2607 3.3320 3.5526 3.5599 3.6077 3.6831 3.7139 3.7983 4.0687 4.1287 4.1571 4.2785 4.3327 4.4010 5.0099 5.0806 5.2548 5.3674 5.8366 5.8727 6.6976 6.7542 6.8392 6.9292 7.1641 7.2543 7.7473 7.8543 7.8735 7.8980 8.6094 8.6642 11.4362 11.4948 11.5222 11.5778 14.0106 14.0612 14.5236 14.5833 15.9067 16.1620 k = 0.2647 0.1528 0.2060 ( 3526 PWs) bands (ev): -8.9747 -8.9719 -8.9350 -8.9320 -8.3335 -8.3333 0.7791 0.7823 1.5039 1.5158 1.8223 1.9342 1.9918 2.0423 2.1074 2.1565 2.2209 2.2597 2.2876 2.3592 3.0446 3.0836 3.2625 3.3353 3.5552 3.5658 3.6095 3.6876 3.7201 3.8061 4.0733 4.1357 4.1620 4.2816 4.3349 4.4063 5.0206 5.0915 5.2664 5.3834 5.8392 5.8774 6.6785 6.7408 6.8337 6.9192 7.1367 7.2267 7.7470 7.8479 7.8693 7.8990 8.6049 8.6574 11.4768 11.5358 11.5676 11.6246 13.9724 14.0262 14.6032 14.6727 15.7941 16.0351 k = 0.2745 0.1585 0.2060 ( 3532 PWs) bands (ev): -8.9682 -8.9654 -8.9264 -8.9233 -8.3336 -8.3334 0.7831 0.7858 1.5040 1.5170 1.8263 1.9326 1.9967 2.0442 2.1035 2.1577 2.2196 2.2640 2.2919 2.3669 3.0474 3.0832 3.2647 3.3390 3.5577 3.5723 3.6114 3.6921 3.7270 3.8136 4.0783 4.1428 4.1675 4.2849 4.3374 4.4114 5.0322 5.1033 5.2776 5.3991 5.8422 5.8822 6.6569 6.7279 6.8290 6.9065 7.1109 7.1980 7.7493 7.8422 7.8666 7.9035 8.5994 8.6499 11.5165 11.5759 11.6123 11.6708 13.9327 13.9898 14.6741 14.7557 15.6899 15.9150 k = 0.2843 0.1641 0.2060 ( 3528 PWs) bands (ev): -8.9617 -8.9590 -8.9178 -8.9148 -8.3337 -8.3334 0.7865 0.7891 1.5033 1.5173 1.8304 1.9306 2.0010 2.0467 2.0995 2.1591 2.2180 2.2670 2.2972 2.3743 3.0508 3.0844 3.2674 3.3429 3.5602 3.5793 3.6133 3.6967 3.7345 3.8209 4.0837 4.1500 4.1736 4.2883 4.3402 4.4163 5.0446 5.1160 5.2884 5.4144 5.8459 5.8875 6.6329 6.7145 6.8249 6.8906 7.0882 7.1694 7.7527 7.8372 7.8659 7.9107 8.5927 8.6416 11.5552 11.6146 11.6566 11.7165 13.8918 13.9522 14.7323 14.8284 15.5972 15.8051 k = 0.2941 0.1698 0.2060 ( 3526 PWs) bands (ev): -8.9554 -8.9527 -8.9094 -8.9065 -8.3337 -8.3334 0.7894 0.7922 1.5017 1.5166 1.8346 1.9285 2.0045 2.0498 2.0956 2.1609 2.2162 2.2688 2.3034 2.3811 3.0546 3.0871 3.2704 3.3472 3.5626 3.5865 3.6156 3.7013 3.7426 3.8277 4.0895 4.1573 4.1800 4.2918 4.3432 4.4210 5.0576 5.1296 5.2989 5.4291 5.8504 5.8935 6.6064 6.6999 6.8211 6.8719 7.0697 7.1421 7.7555 7.8327 7.8680 7.9202 8.5851 8.6327 11.5926 11.6515 11.7005 11.7616 13.8499 13.9136 14.7722 14.8844 15.5192 15.7107 k = 0.3039 0.1755 0.2060 ( 3514 PWs) bands (ev): -8.9491 -8.9465 -8.9012 -8.8983 -8.3336 -8.3333 0.7917 0.7949 1.4993 1.5149 1.8389 1.9263 2.0070 2.0531 2.0921 2.1631 2.2142 2.2696 2.3103 2.3873 3.0589 3.0912 3.2738 3.3517 3.5648 3.5935 3.6184 3.7060 3.7510 3.8342 4.0957 4.1648 4.1867 4.2953 4.3464 4.4254 5.0712 5.1437 5.3089 5.4432 5.8561 5.9006 6.5777 6.6826 6.8172 6.8520 7.0558 7.1170 7.7566 7.8282 7.8737 7.9316 8.5764 8.6231 11.6284 11.6862 11.7442 11.8062 13.8069 13.8740 14.7883 14.9159 15.4560 15.6411 k = 0.3137 0.1811 0.2060 ( 3518 PWs) bands (ev): -8.9430 -8.9404 -8.8932 -8.8903 -8.3334 -8.3331 0.7936 0.7974 1.4961 1.5121 1.8430 1.9242 2.0086 2.0560 2.0893 2.1661 2.2121 2.2699 2.3176 2.3929 3.0636 3.0964 3.2774 3.3564 3.5670 3.5997 3.6226 3.7109 3.7596 3.8403 4.1022 4.1723 4.1937 4.2989 4.3497 4.4295 5.0851 5.1581 5.3185 5.4565 5.8630 5.9093 6.5469 6.6614 6.8118 6.8342 7.0458 7.0947 7.7553 7.8231 7.8832 7.9445 8.5669 8.6130 11.6623 11.7183 11.7879 11.8504 13.7630 13.8335 14.7771 14.9162 15.4009 15.6079 k = 0.3235 0.1868 0.2060 ( 3512 PWs) bands (ev): -8.9370 -8.9345 -8.8854 -8.8826 -8.3332 -8.3329 0.7951 0.7995 1.4922 1.5085 1.8471 1.9223 2.0095 2.0577 2.0882 2.1698 2.2099 2.2699 2.3250 2.3979 3.0689 3.1026 3.2814 3.3611 3.5690 3.6042 3.6287 3.7159 3.7682 3.8460 4.1090 4.1799 4.2007 4.3026 4.3531 4.4331 5.0993 5.1725 5.3280 5.4690 5.8712 5.9198 6.5145 6.6356 6.8022 6.8229 7.0389 7.0756 7.7519 7.8170 7.8959 7.9586 8.5565 8.6024 11.6941 11.7477 11.8315 11.8942 13.7183 13.7921 14.7409 14.8850 15.3446 15.6141 k = 0.3333 0.1925 0.2060 ( 3508 PWs) bands (ev): -8.9312 -8.9288 -8.8779 -8.8752 -8.3329 -8.3326 0.7962 0.8012 1.4875 1.5040 1.8511 1.9204 2.0099 2.0574 2.0892 2.1745 2.2075 2.2698 2.3323 2.4021 3.0746 3.1094 3.2857 3.3658 3.5709 3.6071 3.6369 3.7211 3.7767 3.8513 4.1161 4.1875 4.2078 4.3063 4.3564 4.4362 5.1136 5.1866 5.3375 5.4807 5.8807 5.9324 6.4808 6.6053 6.7900 6.8174 7.0341 7.0599 7.7467 7.8098 7.9110 7.9736 8.5454 8.5914 11.7236 11.7745 11.8750 11.9377 13.6726 13.7498 14.6863 14.8292 15.2843 15.5915 k = 0.3431 0.1981 0.2060 ( 3504 PWs) bands (ev): -8.9256 -8.9233 -8.8706 -8.8681 -8.3326 -8.3323 0.7971 0.8026 1.4823 1.4987 1.8549 1.9186 2.0099 2.0551 2.0921 2.1802 2.2050 2.2700 2.3393 2.4056 3.0807 3.1165 3.2902 3.3704 3.5726 3.6087 3.6466 3.7265 3.7850 3.8561 4.1235 4.1949 4.2151 4.3100 4.3597 4.4388 5.1277 5.1999 5.3473 5.4917 5.8915 5.9470 6.4464 6.5716 6.7789 6.8138 7.0308 7.0480 7.7399 7.8012 7.9277 7.9892 8.5337 8.5800 11.7507 11.7985 11.9183 11.9810 13.6262 13.7067 14.6209 14.7578 15.2211 15.4915 k = 0.3529 0.2038 0.2060 ( 3504 PWs) bands (ev): -8.9202 -8.9180 -8.8637 -8.8613 -8.3322 -8.3319 0.7977 0.8037 1.4765 1.4928 1.8585 1.9169 2.0097 2.0518 2.0962 2.1869 2.2023 2.2705 2.3458 2.4084 3.0873 3.1239 3.2949 3.3749 3.5743 3.6095 3.6571 3.7321 3.7929 3.8604 4.1310 4.2020 4.2224 4.3136 4.3629 4.4408 5.1414 5.2120 5.3578 5.5024 5.9032 5.9637 6.4116 6.5358 6.7699 6.8107 7.0280 7.0403 7.7317 7.7911 7.9454 8.0054 8.5217 8.5683 11.7753 11.8199 11.9615 12.0241 13.5789 13.6627 14.5504 14.6783 15.1567 15.3959 k = 0.3627 0.2094 0.2060 ( 3502 PWs) bands (ev): -8.9151 -8.9130 -8.8572 -8.8548 -8.3318 -8.3314 0.7981 0.8045 1.4704 1.4863 1.8618 1.9152 2.0093 2.0478 2.1008 2.1943 2.1997 2.2716 2.3517 2.4104 3.0942 3.1314 3.2999 3.3791 3.5757 3.6099 3.6682 3.7379 3.8002 3.8642 4.1387 4.2086 4.2298 4.3173 4.3659 4.4421 5.1544 5.2225 5.3694 5.5128 5.9154 5.9821 6.3770 6.4993 6.7626 6.8075 7.0252 7.0369 7.7222 7.7793 7.9637 8.0219 8.5093 8.5565 11.7974 11.8386 12.0044 12.0671 13.5307 13.6179 14.4788 14.5959 15.0929 15.3058 k = 0.3725 0.2151 0.2060 ( 3510 PWs) bands (ev): -8.9102 -8.9083 -8.8510 -8.8487 -8.3313 -8.3310 0.7983 0.8050 1.4640 1.4794 1.8648 1.9136 2.0089 2.0437 2.1057 2.1962 2.2032 2.2734 2.3569 2.4116 3.1014 3.1387 3.3051 3.3829 3.5770 3.6098 3.6797 3.7440 3.8070 3.8674 4.1464 4.2146 4.2374 4.3210 4.3687 4.4428 5.1664 5.2311 5.3824 5.5234 5.9277 6.0018 6.3432 6.4634 6.7567 6.8042 7.0234 7.0367 7.7112 7.7657 7.9822 8.0384 8.4969 8.5445 11.8171 11.8549 12.0471 12.1100 13.4818 13.5721 14.4086 14.5140 15.0313 15.2216 k = 0.3824 0.2208 0.2060 ( 3500 PWs) bands (ev): -8.9056 -8.9038 -8.8451 -8.8431 -8.3308 -8.3305 0.7984 0.8052 1.4575 1.4723 1.8675 1.9120 2.0084 2.0397 2.1105 2.1933 2.2121 2.2761 2.3613 2.4120 3.1088 3.1458 3.3104 3.3864 3.5782 3.6095 3.6914 3.7503 3.8130 3.8701 4.1542 4.2199 4.2450 4.3246 4.3712 4.4429 5.1773 5.2378 5.3969 5.5345 5.9391 6.0221 6.3109 6.4290 6.7520 6.8007 7.0236 7.0387 7.6989 7.7502 8.0007 8.0549 8.4846 8.5326 11.8343 11.8688 12.0895 12.1527 13.4322 13.5254 14.3416 14.4348 14.9729 15.1433 k = 0.3922 0.2264 0.2060 ( 3506 PWs) bands (ev): -8.9013 -8.8996 -8.8397 -8.8378 -8.3303 -8.3300 0.7983 0.8052 1.4511 1.4650 1.8699 1.9102 2.0080 2.0358 2.1153 2.1901 2.2216 2.2796 2.3648 2.4117 3.1164 3.1526 3.3159 3.3893 3.5793 3.6088 3.7031 3.7570 3.8181 3.8722 4.1619 4.2245 4.2527 4.3281 4.3736 4.4423 5.1868 5.2426 5.4130 5.5462 5.9490 6.0421 6.2808 6.3973 6.7481 6.7970 7.0261 7.0424 7.6850 7.7327 8.0190 8.0710 8.4726 8.5207 11.8493 11.8805 12.1316 12.1953 13.3819 13.4777 14.2788 14.3599 14.9186 15.0711 k = 0.4020 0.2321 0.2060 ( 3504 PWs) bands (ev): -8.8973 -8.8957 -8.8347 -8.8329 -8.3298 -8.3295 0.7982 0.8050 1.4447 1.4578 1.8721 1.9084 2.0078 2.0322 2.1199 2.1868 2.2316 2.2841 2.3672 2.4105 3.1239 3.1589 3.3216 3.3916 3.5803 3.6080 3.7147 3.7639 3.8224 3.8736 4.1694 4.2283 4.2604 4.3315 4.3757 4.4411 5.1949 5.2457 5.4304 5.5585 5.9565 6.0603 6.2541 6.3692 6.7451 6.7931 7.0309 7.0478 7.6696 7.7134 8.0368 8.0866 8.4612 8.5091 11.8622 11.8902 12.1734 12.2376 13.3313 13.4290 14.2210 14.2904 14.8688 15.0049 k = 0.4118 0.2377 0.2060 ( 3496 PWs) bands (ev): -8.8936 -8.8922 -8.8302 -8.8285 -8.3293 -8.3290 0.7981 0.8046 1.4386 1.4507 1.8741 1.9066 2.0076 2.0290 2.1242 2.1834 2.2418 2.2896 2.3686 2.4085 3.1314 3.1647 3.3273 3.3933 3.5813 3.6069 3.7260 3.7712 3.8256 3.8744 4.1768 4.2314 4.2679 4.3346 4.3777 4.4393 5.2017 5.2473 5.4492 5.5715 5.9608 6.0742 6.2326 6.3455 6.7427 6.7890 7.0378 7.0549 7.6528 7.6925 8.0542 8.1015 8.4505 8.4976 11.8732 11.8981 12.2149 12.2795 13.2807 13.3795 14.1687 14.2270 14.8240 14.9448 k = 0.4216 0.2434 0.2060 ( 3508 PWs) bands (ev): -8.8902 -8.8890 -8.8261 -8.8246 -8.3288 -8.3285 0.7980 0.8041 1.4330 1.4439 1.8758 1.9046 2.0076 2.0261 2.1283 2.1800 2.2522 2.2959 2.3689 2.4058 3.1388 3.1698 3.3331 3.3943 3.5821 3.6056 3.7369 3.7788 3.8278 3.8744 4.1838 4.2337 4.2753 4.3372 4.3797 4.4371 5.2073 5.2478 5.4689 5.5848 5.9616 6.0807 6.2193 6.3267 6.7411 6.7848 7.0467 7.0636 7.6346 7.6701 8.0708 8.1154 8.4407 8.4865 11.8824 11.9043 12.2560 12.3208 13.2307 13.3294 14.1221 14.1701 14.7844 14.8906 k = 0.4314 0.2491 0.2060 ( 3508 PWs) bands (ev): -8.8873 -8.8861 -8.8224 -8.8211 -8.3283 -8.3281 0.7978 0.8035 1.4278 1.4376 1.8774 1.9025 2.0078 2.0235 2.1321 2.1766 2.2626 2.3029 2.3681 2.4023 3.1459 3.1742 3.3390 3.3946 3.5830 3.6041 3.7474 3.7867 3.8291 3.8738 4.1906 4.2353 4.2824 4.3392 4.3819 4.4344 5.2118 5.2473 5.4894 5.5979 5.9590 6.0770 6.2162 6.3130 6.7401 6.7805 7.0573 7.0740 7.6155 7.6468 8.0866 8.1281 8.4321 8.4758 11.8901 11.9091 12.2965 12.3611 13.1818 13.2791 14.0813 14.1202 14.7501 14.8424 k = 0.4412 0.2547 0.2060 ( 3512 PWs) bands (ev): -8.8846 -8.8837 -8.8192 -8.8181 -8.3279 -8.3277 0.7978 0.8028 1.4232 1.4318 1.8789 1.9004 2.0081 2.0212 2.1357 2.1732 2.2731 2.3106 2.3661 2.3981 3.1526 3.1779 3.3449 3.3942 3.5840 3.6025 3.7574 3.7946 3.8294 3.8724 4.1969 4.2361 4.2894 4.3402 4.3844 4.4314 5.2155 5.2460 5.5102 5.6101 5.9539 6.0642 6.2217 6.3037 6.7398 6.7761 7.0694 7.0856 7.5958 7.6230 8.1014 8.1392 8.4249 8.4655 11.8964 11.9126 12.3364 12.3998 13.1352 13.2290 14.0464 14.0772 14.7212 14.8000 k = 0.4510 0.2604 0.2060 ( 3520 PWs) bands (ev): -8.8824 -8.8816 -8.8165 -8.8155 -8.3275 -8.3273 0.7977 0.8021 1.4193 1.4265 1.8804 1.8983 2.0085 2.0192 2.1390 2.1698 2.2834 2.3187 2.3629 2.3932 3.1589 3.1806 3.3507 3.3930 3.5850 3.6007 3.7667 3.8023 3.8290 3.8703 4.2029 4.2361 4.2961 4.3401 4.3874 4.4280 5.2187 5.2442 5.5312 5.6208 5.9478 6.0460 6.2319 6.2979 6.7402 6.7717 7.0824 7.0978 7.5765 7.5996 8.1151 8.1485 8.4192 8.4557 11.9016 11.9150 12.3751 12.4360 13.0921 13.1801 14.0173 14.0411 14.6979 14.7632 k = 0.4608 0.2660 0.2060 ( 3516 PWs) bands (ev): -8.8805 -8.8799 -8.8142 -8.8135 -8.3271 -8.3270 0.7978 0.8014 1.4161 1.4220 1.8819 1.8961 2.0091 2.0175 2.1422 2.1666 2.2937 2.3271 2.3587 2.3878 3.1646 3.1825 3.3565 3.3911 3.5861 3.5989 3.7754 3.8090 3.8286 3.8673 4.2085 4.2355 4.3025 4.3389 4.3909 4.4244 5.2215 5.2420 5.5518 5.6287 5.9424 6.0256 6.2437 6.2942 6.7412 6.7672 7.0958 7.1098 7.5583 7.5774 8.1275 8.1556 8.4154 8.4466 11.9058 11.9164 12.4121 12.4683 13.0543 13.1333 13.9940 14.0118 14.6800 14.7322 k = 0.4706 0.2717 0.2060 ( 3512 PWs) bands (ev): -8.8790 -8.8785 -8.8124 -8.8119 -8.3269 -8.3268 0.7979 0.8007 1.4138 1.4182 1.8834 1.8941 2.0098 2.0160 2.1452 2.1633 2.3037 2.3354 2.3534 2.3817 3.1698 3.1835 3.3621 3.3886 3.5873 3.5971 3.7835 3.8127 3.8301 3.8634 4.2136 4.2342 4.3087 4.3367 4.3948 4.4205 5.2241 5.2395 5.5716 5.6331 5.9393 6.0050 6.2551 6.2915 6.7429 6.7629 7.1087 7.1205 7.5426 7.5575 8.1383 8.1605 8.4134 8.4381 11.9092 11.9171 12.4464 12.4947 13.0240 13.0901 13.9764 13.9889 14.6676 14.7067 k = 0.4804 0.2774 0.2060 ( 3504 PWs) bands (ev): -8.8779 -8.8776 -8.8111 -8.8107 -8.3267 -8.3266 0.7982 0.8001 1.4123 1.4153 1.8849 1.8921 2.0105 2.0146 2.1482 2.1602 2.3134 2.3428 2.3481 2.3751 3.1742 3.1835 3.3675 3.3854 3.5887 3.5953 3.7910 3.8122 3.8347 3.8588 4.2183 4.2322 4.3145 4.3336 4.3991 4.4165 5.2267 5.2370 5.5899 5.6331 5.9399 5.9856 6.2653 6.2888 6.7451 6.7587 7.1200 7.1287 7.5308 7.5411 8.1475 8.1628 8.4134 8.4306 11.9119 11.9172 12.4766 12.5127 13.0039 13.0523 13.9643 13.9723 14.6606 14.6866 k = 0.4902 0.2830 0.2060 ( 3504 PWs) bands (ev): -8.8773 -8.8771 -8.8103 -8.8101 -8.3265 -8.3265 0.7985 0.7995 1.4117 1.4132 1.8866 1.8901 2.0114 2.0134 2.1511 2.1571 2.3226 2.3391 2.3528 2.3680 3.1778 3.1825 3.3726 3.3816 3.5902 3.5935 3.7978 3.8087 3.8410 3.8534 4.2226 4.2295 4.3200 4.3296 4.4034 4.4122 5.2292 5.2343 5.6060 5.6284 5.9450 5.9686 6.2738 6.2853 6.7479 6.7548 7.1285 7.1331 7.5241 7.5294 8.1547 8.1625 8.4153 8.4241 11.9140 11.9166 12.5005 12.5201 12.9965 13.0223 13.9578 13.9617 14.6590 14.6720 k = 0.5000 0.2887 0.2060 ( 3508 PWs) bands (ev): -8.8770 -8.8770 -8.8100 -8.8100 -8.3265 -8.3265 0.7990 0.7990 1.4120 1.4120 1.8883 1.8883 2.0124 2.0124 2.1541 2.1541 2.3313 2.3313 2.3605 2.3605 3.1806 3.1806 3.3773 3.3773 3.5918 3.5918 3.8037 3.8037 3.8474 3.8474 4.2263 4.2263 4.3251 4.3251 4.4079 4.4079 5.2317 5.2317 5.6191 5.6191 5.9548 5.9548 6.2804 6.2804 6.7511 6.7511 7.1331 7.1331 7.5236 7.5236 8.1598 8.1598 8.4189 8.4189 11.9156 11.9156 12.5157 12.5157 13.0029 13.0029 13.9569 13.9569 14.6628 14.6628 k = 0.5000 0.2887 0.2060 ( 3508 PWs) bands (ev): -8.8770 -8.8770 -8.8100 -8.8100 -8.3265 -8.3265 0.7990 0.7990 1.4120 1.4120 1.8883 1.8883 2.0124 2.0124 2.1541 2.1541 2.3313 2.3313 2.3605 2.3605 3.1806 3.1806 3.3773 3.3773 3.5918 3.5918 3.8037 3.8037 3.8474 3.8474 4.2263 4.2263 4.3251 4.3251 4.4079 4.4079 5.2317 5.2317 5.6191 5.6191 5.9548 5.9548 6.2804 6.2804 6.7511 6.7511 7.1331 7.1331 7.5236 7.5236 8.1598 8.1598 8.4189 8.4189 11.9156 11.9156 12.5157 12.5157 13.0029 13.0029 13.9569 13.9569 14.6628 14.6628 k = 0.4944 0.2983 0.2060 ( 3510 PWs) bands (ev): -8.8769 -8.8768 -8.8100 -8.8099 -8.3265 -8.3265 0.7991 0.7992 1.4111 1.4137 1.8884 1.8886 2.0120 2.0127 2.1528 2.1555 2.3248 2.3376 2.3602 2.3611 3.1791 3.1818 3.3745 3.3791 3.5873 3.5957 3.8031 3.8032 3.8446 3.8498 4.2163 4.2337 4.3236 4.3295 4.4058 4.4114 5.2315 5.2330 5.6160 5.6244 5.9545 5.9555 6.2747 6.2870 6.7456 6.7541 7.1293 7.1342 7.5197 7.5251 8.1598 8.1630 8.4161 8.4179 11.9156 11.9183 12.5184 12.5216 13.0027 13.0039 13.9535 13.9601 14.6586 14.6674 k = 0.4889 0.3079 0.2060 ( 3518 PWs) bands (ev): -8.8766 -8.8763 -8.8100 -8.8097 -8.3266 -8.3266 0.7996 0.7998 1.4109 1.4162 1.8889 1.8894 2.0115 2.0129 2.1516 2.1571 2.3182 2.3436 2.3604 2.3621 3.1772 3.1827 3.3708 3.3799 3.5824 3.5990 3.8012 3.8017 3.8416 3.8516 4.2049 4.2377 4.3258 4.3358 4.4050 4.4164 5.2322 5.2352 5.6150 5.6317 5.9548 5.9568 6.2699 6.2944 6.7375 6.7544 7.1230 7.1329 7.5136 7.5242 8.1630 8.1690 8.4096 8.4133 11.9186 11.9237 12.5297 12.5360 13.0032 13.0057 13.9500 13.9630 14.6548 14.6724 k = 0.4833 0.3175 0.2060 ( 3510 PWs) bands (ev): -8.8759 -8.8756 -8.8099 -8.8095 -8.3267 -8.3267 0.8005 0.8007 1.4115 1.4195 1.8900 1.8906 2.0111 2.0129 2.1505 2.1589 2.3115 2.3491 2.3612 2.3634 3.1749 3.1832 3.3660 3.3799 3.5771 3.6017 3.7979 3.7994 3.8387 3.8524 4.1930 4.2381 4.3313 4.3433 4.4054 4.4229 5.2340 5.2385 5.6159 5.6411 5.9556 5.9585 6.2659 6.3028 6.7268 6.7521 7.1144 7.1290 7.5059 7.5208 8.1693 8.1772 8.3993 8.4053 11.9248 11.9322 12.5492 12.5582 13.0044 13.0082 13.9463 13.9656 14.6516 14.6777 k = 0.4778 0.3272 0.2060 ( 3510 PWs) bands (ev): -8.8750 -8.8746 -8.8098 -8.8093 -8.3269 -8.3268 0.8017 0.8020 1.4128 1.4235 1.8915 1.8921 2.0108 2.0129 2.1495 2.1609 2.3047 2.3533 2.3633 2.3651 3.1724 3.1834 3.3602 3.3791 3.5715 3.6037 3.7934 3.7965 3.8359 3.8522 4.1814 4.2360 4.3393 4.3514 4.4067 4.4309 5.2370 5.2427 5.6188 5.6526 5.9571 5.9606 6.2628 6.3121 6.7137 6.7473 7.1034 7.1229 7.4968 7.5152 8.1781 8.1866 8.3855 8.3946 11.9346 11.9439 12.5765 12.5879 13.0065 13.0115 13.9423 13.9678 14.6490 14.6833 k = 0.4722 0.3368 0.2060 ( 3510 PWs) bands (ev): -8.8739 -8.8734 -8.8096 -8.8090 -8.3271 -8.3270 0.8033 0.8037 1.4148 1.4283 1.8934 1.8939 2.0107 2.0127 2.1483 2.1631 2.2979 2.3556 2.3672 2.3673 3.1696 3.1832 3.3534 3.3776 3.5656 3.6050 3.7880 3.7932 3.8330 3.8508 4.1707 4.2324 4.3485 4.3596 4.4089 4.4401 5.2412 5.2481 5.6233 5.6659 5.9591 5.9632 6.2607 6.3222 6.6983 6.7400 7.0904 7.1146 7.4869 7.5079 8.1885 8.1957 8.3686 8.3820 11.9485 11.9594 12.6109 12.6243 13.0093 13.0156 13.9381 13.9695 14.6470 14.6890 k = 0.4667 0.3464 0.2060 ( 3522 PWs) bands (ev): -8.8725 -8.8719 -8.8094 -8.8086 -8.3273 -8.3272 0.8052 0.8056 1.4175 1.4339 1.8957 1.8958 2.0108 2.0123 2.1471 2.1655 2.2911 2.3566 2.3697 2.3725 3.1665 3.1827 3.3456 3.3754 3.5595 3.6055 3.7819 3.7896 3.8299 3.8480 4.1612 4.2282 4.3581 4.3677 4.4116 4.4504 5.2467 5.2546 5.6294 5.6810 5.9618 5.9660 6.2593 6.3333 6.6806 6.7304 7.0757 7.1044 7.4768 7.4991 8.1990 8.2025 8.3499 8.3693 11.9668 11.9790 12.6517 12.6667 13.0130 13.0205 13.9334 13.9703 14.6458 14.6950 k = 0.4611 0.3560 0.2060 ( 3522 PWs) bands (ev): -8.8709 -8.8702 -8.8091 -8.8082 -8.3276 -8.3275 0.8073 0.8078 1.4208 1.4402 1.8978 1.8984 2.0112 2.0119 2.1457 2.1682 2.2843 2.3572 2.3726 2.3782 3.1631 3.1818 3.3369 3.3726 3.5533 3.6054 3.7755 3.7858 3.8264 3.8439 4.1534 4.2239 4.3677 4.3752 4.4148 4.4612 5.2537 5.2623 5.6369 5.6977 5.9651 5.9691 6.2589 6.3453 6.6609 6.7186 7.0595 7.0927 7.4666 7.4893 8.2038 8.2067 8.3316 8.3592 11.9899 12.0030 12.6980 12.7144 13.0174 13.0264 13.9283 13.9702 14.6454 14.7011 k = 0.4556 0.3657 0.2060 ( 3522 PWs) bands (ev): -8.8690 -8.8682 -8.8088 -8.8078 -8.3279 -8.3277 0.8097 0.8102 1.4246 1.4472 1.8998 1.9013 2.0114 2.0120 2.1440 2.1710 2.2777 2.3575 2.3759 2.3840 3.1595 3.1806 3.3275 3.3693 3.5471 3.6047 3.7691 3.7819 3.8226 3.8385 4.1472 4.2198 4.3768 4.3821 4.4184 4.4722 5.2622 5.2711 5.6456 5.7157 5.9691 5.9724 6.2593 6.3583 6.6393 6.7050 7.0422 7.0796 7.4568 7.4789 8.1961 8.2063 8.3188 8.3548 12.0180 12.0318 12.7493 12.7667 13.0228 13.0332 13.9226 13.9690 14.6460 14.7074 k = 0.4500 0.3753 0.2060 ( 3526 PWs) bands (ev): -8.8670 -8.8660 -8.8085 -8.8074 -8.3283 -8.3281 0.8123 0.8129 1.4290 1.4548 1.9017 1.9045 2.0108 2.0132 2.1420 2.1740 2.2712 2.3577 2.3795 2.3898 3.1557 3.1791 3.3174 3.3655 3.5409 3.6034 3.7628 3.7780 3.8183 3.8318 4.1430 4.2163 4.3856 4.3880 4.4222 4.4831 5.2723 5.2813 5.6551 5.7349 5.9739 5.9757 6.2606 6.3721 6.6161 6.6899 7.0242 7.0655 7.4476 7.4682 8.1777 8.1922 8.3168 8.3577 12.0513 12.0654 12.8046 12.8229 13.0292 13.0412 13.9161 13.9663 14.6476 14.7136 k = 0.4444 0.3849 0.2060 ( 3526 PWs) bands (ev): -8.8647 -8.8637 -8.8082 -8.8069 -8.3286 -8.3284 0.8150 0.8157 1.4339 1.4631 1.9036 1.9078 2.0102 2.0149 2.1396 2.1772 2.2650 2.3579 2.3835 2.3956 3.1518 3.1772 3.3068 3.3612 3.5348 3.6018 3.7568 3.7740 3.8135 3.8242 4.1405 4.2135 4.3928 4.3937 4.4261 4.4934 5.2842 5.2927 5.6654 5.7549 5.9790 5.9794 6.2629 6.3869 6.5916 6.6737 7.0057 7.0508 7.4391 7.4574 8.1499 8.1647 8.3249 8.3666 12.0897 12.1040 12.8630 12.8823 13.0366 13.0506 13.9088 13.9621 14.6502 14.7197 k = 0.4389 0.3945 0.2060 ( 3526 PWs) bands (ev): -8.8623 -8.8611 -8.8078 -8.8064 -8.3290 -8.3288 0.8179 0.8186 1.4392 1.4720 1.9052 1.9112 2.0096 2.0170 2.1368 2.1807 2.2591 2.3580 2.3877 2.4012 3.1478 3.1750 3.2957 3.3566 3.5288 3.5999 3.7513 3.7700 3.8082 3.8157 4.1399 4.2114 4.3964 4.4013 4.4301 4.5029 5.2977 5.3053 5.6760 5.7753 5.9819 5.9857 6.2660 6.4027 6.5661 6.6569 6.9871 7.0357 7.4312 7.4466 8.1147 8.1281 8.3389 8.3792 12.1331 12.1475 12.9232 12.9441 13.0456 13.0625 13.9005 13.9560 14.6540 14.7257 k = 0.4333 0.4041 0.2060 ( 3520 PWs) bands (ev): -8.8597 -8.8584 -8.8074 -8.8059 -8.3294 -8.3291 0.8209 0.8217 1.4448 1.4815 1.9066 1.9147 2.0090 2.0195 2.1335 2.1843 2.2536 2.3581 2.3921 2.4067 3.1437 3.1725 3.2846 3.3517 3.5231 3.5981 3.7461 3.7659 3.8024 3.8066 4.1409 4.2101 4.3989 4.4082 4.4339 4.5113 5.3130 5.3192 5.6869 5.7959 5.9844 5.9928 6.2700 6.4193 6.5401 6.6402 6.9688 7.0205 7.4241 7.4360 8.0739 8.0855 8.3555 8.3939 12.1813 12.1957 12.9822 13.0056 13.0584 13.0793 13.8910 13.9480 14.6589 14.7314 k = 0.4278 0.4138 0.2060 ( 3522 PWs) bands (ev): -8.8570 -8.8556 -8.8071 -8.8054 -8.3298 -8.3295 0.8240 0.8247 1.4507 1.4913 1.9079 1.9181 2.0084 2.0223 2.1296 2.1880 2.2485 2.3582 2.3966 2.4120 3.1397 3.1697 3.2733 3.3465 3.5177 3.5965 3.7413 3.7617 3.7963 3.7973 4.1435 4.2095 4.4002 4.4145 4.4375 4.5185 5.3300 5.3342 5.6976 5.8161 5.9860 6.0007 6.2750 6.4368 6.5139 6.6242 6.9508 7.0056 7.4175 7.4256 8.0288 8.0387 8.3731 8.4095 12.2341 12.2483 13.0314 13.0494 13.0918 13.1091 13.8802 13.9377 14.6648 14.7366 k = 0.4222 0.4234 0.2060 ( 3526 PWs) bands (ev): -8.8541 -8.8526 -8.8067 -8.8049 -8.3302 -8.3299 0.8270 0.8278 1.4568 1.5016 1.9090 1.9213 2.0078 2.0254 2.1253 2.1919 2.2440 2.3584 2.4012 2.4170 3.1358 3.1666 3.2623 3.3411 3.5125 3.5952 3.7369 3.7573 3.7880 3.7897 4.1475 4.2098 4.4004 4.4201 4.4407 4.5244 5.3487 5.3504 5.7081 5.8355 5.9867 6.0095 6.2807 6.4550 6.4882 6.6095 6.9336 6.9912 7.4115 7.4153 7.9805 7.9885 8.3910 8.4252 12.2911 12.3051 13.0621 13.0667 13.1545 13.1603 13.8681 13.9252 14.6716 14.7412 k = 0.4167 0.4330 0.2060 ( 3530 PWs) bands (ev): -8.8512 -8.8496 -8.8064 -8.8045 -8.3306 -8.3303 0.8300 0.8309 1.4630 1.5122 1.9100 1.9244 2.0072 2.0285 2.1205 2.1960 2.2399 2.3588 2.4057 2.4216 3.1320 3.1632 3.2515 3.3355 3.5077 3.5945 3.7329 3.7523 3.7792 3.7829 4.1527 4.2109 4.3997 4.4250 4.4433 4.5289 5.3676 5.3689 5.7179 5.8535 5.9860 6.0191 6.2872 6.4637 6.4737 6.5970 6.9173 6.9776 7.4053 7.4059 7.9295 7.9358 8.4086 8.4406 12.3518 12.3656 13.0798 13.0816 13.2237 13.2252 13.8546 13.9103 14.6792 14.7449 k = 0.4111 0.4426 0.2060 ( 3538 PWs) bands (ev): -8.8482 -8.8465 -8.8061 -8.8041 -8.3309 -8.3307 0.8329 0.8338 1.4692 1.5229 1.9109 1.9273 2.0066 2.0317 2.1153 2.2001 2.2364 2.3593 2.4101 2.4259 3.1285 3.1595 3.2413 3.3299 3.5033 3.5945 3.7291 3.7466 3.7713 3.7758 4.1591 4.2127 4.3981 4.4291 4.4454 4.5319 5.3858 5.3906 5.7270 5.8697 5.9837 6.0292 6.2941 6.4412 6.4926 6.5878 6.9021 6.9650 7.3953 7.4004 7.8767 7.8811 8.4256 8.4554 12.4159 12.4293 13.0930 13.0978 13.2949 13.2954 13.8396 13.8931 14.6874 14.7474 k = 0.4056 0.4523 0.2060 ( 3530 PWs) bands (ev): -8.8451 -8.8433 -8.8058 -8.8037 -8.3313 -8.3311 0.8358 0.8367 1.4753 1.5338 1.9117 1.9299 2.0060 2.0348 2.1099 2.2042 2.2334 2.3602 2.4143 2.4297 3.1254 3.1556 3.2318 3.3242 3.4994 3.5953 3.7256 3.7399 3.7647 3.7687 4.1665 4.2152 4.3958 4.4326 4.4468 4.5336 5.4049 5.4136 5.7351 5.8836 5.9796 6.0397 6.3009 6.4222 6.5106 6.5830 6.8880 6.9536 7.3853 7.3950 7.8225 7.8251 8.4419 8.4694 12.4829 12.4959 13.1068 13.1135 13.3669 13.3681 13.8232 13.8737 14.6958 14.7484 k = 0.4000 0.4619 0.2060 ( 3522 PWs) bands (ev): -8.8420 -8.8401 -8.8056 -8.8034 -8.3317 -8.3314 0.8385 0.8394 1.4813 1.5447 1.9127 1.9322 2.0053 2.0378 2.1043 2.2083 2.2309 2.3613 2.4183 2.4330 3.1226 3.1516 3.2231 3.3187 3.4958 3.5970 3.7222 3.7324 3.7593 3.7615 4.1746 4.2183 4.3928 4.4354 4.4475 4.5339 5.4247 5.4378 5.7420 5.8949 5.9734 6.0499 6.3065 6.4083 6.5260 6.5848 6.8753 6.9434 7.3752 7.3894 7.7677 7.7682 8.4572 8.4825 12.5522 12.5647 13.1214 13.1293 13.4391 13.4418 13.8057 13.8524 14.7039 14.7475 k = 0.3944 0.4715 0.2060 ( 3518 PWs) bands (ev): -8.8389 -8.8369 -8.8055 -8.8031 -8.3320 -8.3318 0.8411 0.8420 1.4870 1.5555 1.9136 1.9341 2.0046 2.0405 2.0986 2.2122 2.2288 2.3629 2.4219 2.4358 3.1203 3.1473 3.2152 3.3132 3.4926 3.5995 3.7190 3.7244 3.7545 3.7548 4.1835 4.2220 4.3895 4.4377 4.4477 4.5328 5.4452 5.4630 5.7477 5.9033 5.9651 6.0591 6.3099 6.4016 6.5374 6.5946 6.8640 6.9345 7.3649 7.3833 7.7111 7.7130 8.4715 8.4945 12.6231 12.6352 13.1370 13.1457 13.5103 13.5155 13.7878 13.8297 14.7113 14.7443 k = 0.3889 0.4811 0.2060 ( 3512 PWs) bands (ev): -8.8358 -8.8337 -8.8054 -8.8030 -8.3323 -8.3321 0.8435 0.8444 1.4924 1.5660 1.9147 1.9356 2.0038 2.0430 2.0930 2.2159 2.2272 2.3649 2.4251 2.4380 3.1184 3.1431 3.2082 3.3080 3.4899 3.6029 3.7158 3.7163 3.7476 3.7509 4.1928 4.2261 4.3858 4.4394 4.4472 4.5306 5.4661 5.4890 5.7521 5.9088 5.9548 6.0663 6.3109 6.4028 6.5455 6.6115 6.8540 6.9270 7.3543 7.3765 7.6544 7.6592 8.4847 8.5055 12.6951 12.7066 13.1535 13.1628 13.5780 13.5869 13.7716 13.8074 14.7171 14.7381 k = 0.3833 0.4907 0.2060 ( 3508 PWs) bands (ev): -8.8328 -8.8306 -8.8054 -8.8029 -8.3326 -8.3324 0.8456 0.8465 1.4975 1.5761 1.9158 1.9366 2.0030 2.0452 2.0876 2.2193 2.2260 2.3674 2.4279 2.4395 3.1171 3.1389 3.2021 3.3031 3.4875 3.6071 3.7084 3.7126 3.7412 3.7475 4.2025 4.2305 4.3820 4.4407 4.4461 4.5272 5.4875 5.5156 5.7552 5.9115 5.9427 6.0709 6.3113 6.4110 6.5528 6.6325 6.8454 6.9206 7.3434 7.3686 7.5989 7.6073 8.4968 8.5153 12.7674 12.7783 13.1708 13.1807 13.6338 13.6495 13.7653 13.7917 14.7205 14.7284 k = 0.3778 0.5004 0.2060 ( 3504 PWs) bands (ev): -8.8299 -8.8275 -8.8056 -8.8029 -8.3329 -8.3327 0.8476 0.8485 1.5020 1.5856 1.9170 1.9371 2.0021 2.0473 2.0825 2.2223 2.2251 2.3704 2.4302 2.4404 3.1163 3.1350 3.1969 3.2985 3.4856 3.6121 3.7009 3.7092 3.7354 3.7443 4.2122 4.2352 4.3783 4.4417 4.4446 4.5228 5.5089 5.5427 5.7569 5.9114 5.9290 6.0721 6.3132 6.4239 6.5607 6.6557 6.8381 6.9151 7.3322 7.3590 7.5455 7.5586 8.5077 8.5241 12.8393 12.8495 13.1891 13.1992 13.6568 13.6814 13.7892 13.8048 14.7143 14.7200 k = 0.3722 0.5100 0.2060 ( 3500 PWs) bands (ev): -8.8271 -8.8246 -8.8058 -8.8030 -8.3331 -8.3329 0.8494 0.8502 1.5061 1.5945 1.9183 1.9372 2.0013 2.0490 2.0778 2.2246 2.2248 2.3739 2.4320 2.4406 3.1159 3.1314 3.1925 3.2942 3.4840 3.6177 3.6939 3.7057 3.7304 3.7413 4.2218 4.2399 4.3748 4.4425 4.4428 4.5174 5.5303 5.5700 5.7574 5.9087 5.9143 6.0702 6.3178 6.4398 6.5692 6.6799 6.8321 6.9101 7.3205 7.3471 7.4951 7.5147 8.5175 8.5316 12.9100 12.9193 13.2080 13.2184 13.6463 13.6709 13.8440 13.8579 14.6950 14.7140 k = 0.3667 0.5196 0.2060 ( 3494 PWs) bands (ev): -8.8243 -8.8218 -8.8062 -8.8033 -8.3333 -8.3331 0.8509 0.8517 1.5096 1.6025 1.9197 1.9368 2.0007 2.0506 2.0735 2.2244 2.2267 2.3778 2.4333 2.4402 3.1160 3.1282 3.1888 3.2904 3.4827 3.6239 3.6875 3.7019 3.7263 3.7385 4.2309 4.2445 4.3719 4.4409 4.4432 4.5113 5.5511 5.5972 5.7569 5.8990 5.9038 6.0657 6.3251 6.4577 6.5778 6.7046 6.8271 6.9052 7.3084 7.3320 7.4490 7.4773 8.5262 8.5381 12.9784 12.9868 13.2276 13.2380 13.6221 13.6428 13.9092 13.9263 14.6700 14.7005 k = 0.3611 0.5292 0.2060 ( 3494 PWs) bands (ev): -8.8218 -8.8192 -8.8066 -8.8037 -8.3334 -8.3333 0.8522 0.8529 1.5125 1.6095 1.9212 1.9359 2.0002 2.0521 2.0697 2.2245 2.2282 2.3820 2.4341 2.4393 3.1164 3.1255 3.1858 3.2871 3.4817 3.6306 3.6816 3.6979 3.7233 3.7357 4.2392 4.2487 4.3697 4.4389 4.4439 4.5046 5.5709 5.6240 5.7554 5.8838 5.8970 6.0593 6.3344 6.4765 6.5855 6.7291 6.8231 6.8995 7.2959 7.3137 7.4085 7.4479 8.5336 8.5434 13.0435 13.0510 13.2474 13.2577 13.5925 13.6088 13.9763 13.9982 14.6386 14.6772 k = 0.3556 0.5389 0.2060 ( 3498 PWs) bands (ev): -8.8194 -8.8168 -8.8073 -8.8042 -8.3335 -8.3334 0.8532 0.8538 1.5148 1.6154 1.9227 1.9347 1.9998 2.0534 2.0663 2.2248 2.2291 2.3864 2.4346 2.4379 3.1171 3.1233 3.1834 3.2844 3.4810 3.6375 3.6764 3.6938 3.7212 3.7329 4.2463 4.2525 4.3684 4.4373 4.4447 4.4975 5.5890 5.6499 5.7532 5.8696 5.8887 6.0521 6.3444 6.4959 6.5912 6.7532 6.8200 6.8923 7.2832 7.2935 7.3749 7.4266 8.5399 8.5475 13.1042 13.1107 13.2668 13.2766 13.5602 13.5722 14.0421 14.0703 14.6012 14.6426 k = 0.3500 0.5485 0.2060 ( 3500 PWs) bands (ev): -8.8173 -8.8146 -8.8081 -8.8049 -8.3336 -8.3335 0.8540 0.8545 1.5166 1.6201 1.9242 1.9332 1.9996 2.0546 2.0634 2.2254 2.2295 2.3906 2.4346 2.4362 3.1178 3.1217 3.1816 3.2821 3.4805 3.6444 3.6718 3.6899 3.7201 3.7302 4.2519 4.2557 4.3680 4.4364 4.4456 4.4904 5.6045 5.6744 5.7501 5.8575 5.8795 6.0448 6.3540 6.5152 6.5935 6.7762 6.8178 6.8830 7.2709 7.2743 7.3492 7.4119 8.5449 8.5506 13.1591 13.1649 13.2846 13.2935 13.5272 13.5354 14.1041 14.1409 14.5592 14.5969 k = 0.3444 0.5581 0.2060 ( 3500 PWs) bands (ev): -8.8154 -8.8126 -8.8089 -8.8056 -8.3337 -8.3336 0.8546 0.8550 1.5178 1.6234 1.9257 1.9317 1.9996 2.0557 2.0610 2.2262 2.2294 2.3943 2.4344 2.4345 3.1185 3.1205 3.1804 3.2805 3.4802 3.6510 3.6677 3.6864 3.7200 3.7276 4.2560 4.2579 4.3683 4.4366 4.4460 4.4840 5.6162 5.6966 5.7458 5.8494 5.8700 6.0383 6.3621 6.5341 6.5912 6.7971 6.8172 6.8712 7.2590 7.2601 7.3316 7.4025 8.5489 8.5525 13.2067 13.2122 13.2984 13.3056 13.4964 13.5014 14.1592 14.2076 14.5165 14.5438 k = 0.3389 0.5677 0.2060 ( 3506 PWs) bands (ev): -8.8139 -8.8111 -8.8099 -8.8063 -8.3337 -8.3337 0.8550 0.8552 1.5185 1.6254 1.9272 1.9301 1.9996 2.0568 2.0592 2.2272 2.2290 2.3969 2.4334 2.4339 3.1191 3.1198 3.1797 3.2795 3.4800 3.6568 3.6642 3.6837 3.7208 3.7251 4.2584 4.2592 4.3688 4.4383 4.4452 4.4792 5.6234 5.7153 5.7391 5.8471 5.8606 6.0336 6.3675 6.5523 6.5832 6.8095 6.8242 6.8568 7.2499 7.2522 7.3215 7.3972 8.5516 8.5534 13.2441 13.2506 13.3039 13.3080 13.4734 13.4759 14.2005 14.2641 14.4812 14.4925 k = 0.3333 0.5774 0.2060 ( 3510 PWs) bands (ev): -8.8131 -8.8105 -8.8105 -8.8067 -8.3337 -8.3337 0.8552 0.8552 1.5187 1.6261 1.9286 1.9286 1.9996 2.0579 2.0579 2.2281 2.2281 2.3979 2.4334 2.4334 3.1194 3.1194 3.1794 3.2792 3.4799 3.6610 3.6610 3.6826 3.7227 3.7227 4.2594 4.2594 4.3691 4.4419 4.4419 4.4775 5.6257 5.7294 5.7294 5.8519 5.8519 6.0318 6.3695 6.5695 6.5695 6.8109 6.8406 6.8406 7.2481 7.2481 7.3182 7.3955 8.5531 8.5531 13.2621 13.2710 13.3017 13.3017 13.4657 13.4657 14.2167 14.2904 14.4668 14.4668 k = 0.3333 0.5774 0.2060 ( 3510 PWs) bands (ev): -8.8131 -8.8105 -8.8105 -8.8067 -8.3337 -8.3337 0.8552 0.8552 1.5187 1.6261 1.9286 1.9286 1.9996 2.0579 2.0579 2.2281 2.2281 2.3979 2.4334 2.4334 3.1194 3.1194 3.1794 3.2792 3.4799 3.6610 3.6610 3.6826 3.7227 3.7227 4.2594 4.2594 4.3691 4.4419 4.4419 4.4775 5.6257 5.7294 5.7294 5.8519 5.8519 6.0318 6.3695 6.5695 6.5695 6.8109 6.8406 6.8406 7.2481 7.2481 7.3182 7.3955 8.5531 8.5531 13.2621 13.2710 13.3017 13.3017 13.4657 13.4657 14.2167 14.2904 14.4668 14.4668 k = 0.3277 0.5676 0.2060 ( 3508 PWs) bands (ev): -8.8139 -8.8110 -8.8100 -8.8063 -8.3337 -8.3337 0.8550 0.8552 1.5185 1.6254 1.9272 1.9301 1.9996 2.0571 2.0589 2.2270 2.2291 2.3968 2.4327 2.4347 3.1194 3.1194 3.1797 3.2796 3.4800 3.6581 3.6626 3.6839 3.7204 3.7255 4.2584 4.2592 4.3687 4.4360 4.4477 4.4791 5.6235 5.7164 5.7378 5.8437 5.8636 6.0341 6.3673 6.5499 6.5857 6.8105 6.8230 6.8572 7.2482 7.2541 7.3214 7.3972 8.5516 8.5533 13.2409 13.2468 13.3088 13.3109 13.4723 13.4751 14.2009 14.2638 14.4828 14.4927 k = 0.3220 0.5578 0.2060 ( 3508 PWs) bands (ev): -8.8155 -8.8124 -8.8093 -8.8057 -8.3337 -8.3336 0.8546 0.8551 1.5180 1.6235 1.9259 1.9315 1.9995 2.0571 2.0598 2.2255 2.2301 2.3938 2.4320 2.4374 3.1189 3.1197 3.1803 3.2805 3.4801 3.6554 3.6619 3.6871 3.7185 3.7294 4.2563 4.2583 4.3675 4.4281 4.4553 4.4833 5.6175 5.7011 5.7398 5.8353 5.8807 6.0418 6.3610 6.5257 6.6000 6.8052 6.8091 6.8720 7.2526 7.2675 7.3305 7.4025 8.5488 8.5522 13.1953 13.1997 13.3150 13.3183 13.4902 13.4960 14.1635 14.2094 14.5211 14.5484 k = 0.3164 0.5480 0.2060 ( 3498 PWs) bands (ev): -8.8174 -8.8142 -8.8087 -8.8051 -8.3337 -8.3336 0.8540 0.8547 1.5171 1.6205 1.9246 1.9327 1.9993 2.0577 2.0607 2.2239 2.2308 2.3894 2.4314 2.4407 3.1180 3.1202 3.1813 3.2821 3.4803 3.6527 3.6599 3.6912 3.7169 3.7343 4.2530 4.2568 4.3655 4.4193 4.4643 4.4892 5.6085 5.6841 5.7365 5.8253 5.9014 6.0554 6.3508 6.4982 6.6118 6.7884 6.8065 6.8851 7.2614 7.2873 7.3448 7.4113 8.5449 8.5498 13.1387 13.1431 13.3122 13.3154 13.5146 13.5232 14.1186 14.1504 14.5703 14.6131 k = 0.3107 0.5382 0.2060 ( 3494 PWs) bands (ev): -8.8196 -8.8163 -8.8084 -8.8047 -8.3336 -8.3335 0.8532 0.8543 1.5161 1.6165 1.9232 1.9339 1.9991 2.0589 2.0615 2.2221 2.2314 2.3839 2.4310 2.4444 3.1166 3.1209 3.1826 3.2843 3.4805 3.6498 3.6574 3.6954 3.7158 3.7399 4.2488 4.2550 4.3628 4.4100 4.4742 4.4960 5.5971 5.6661 5.7289 5.8128 5.9243 6.0743 6.3379 6.4688 6.6195 6.7741 6.8022 6.8969 7.2745 7.3123 7.3636 7.4237 8.5396 8.5460 13.0751 13.0805 13.2998 13.3023 13.5420 13.5535 14.0738 14.0946 14.6246 14.6810 k = 0.3051 0.5284 0.2060 ( 3498 PWs) bands (ev): -8.8220 -8.8186 -8.8085 -8.8047 -8.3336 -8.3334 0.8523 0.8536 1.5150 1.6117 1.9217 1.9349 1.9989 2.0607 2.0623 2.2201 2.2317 2.3777 2.4306 2.4480 3.1149 3.1216 3.1841 3.2868 3.4808 3.6466 3.6548 3.6993 3.7153 3.7460 4.2437 4.2531 4.3598 4.4005 4.4845 4.5035 5.5838 5.6474 5.7182 5.7974 5.9484 6.0975 6.3233 6.4389 6.6210 6.7644 6.7960 6.9079 7.2916 7.3412 7.3860 7.4396 8.5330 8.5408 13.0066 13.0134 13.2784 13.2798 13.5704 13.5853 14.0332 14.0457 14.6820 14.7504 k = 0.2994 0.5186 0.2060 ( 3494 PWs) bands (ev): -8.8247 -8.8213 -8.8088 -8.8050 -8.3335 -8.3333 0.8512 0.8529 1.5138 1.6063 1.9200 1.9358 1.9987 2.0630 2.0631 2.2181 2.2318 2.3711 2.4303 2.4512 3.1127 3.1225 3.1858 3.2898 3.4811 3.6431 3.6521 3.7029 3.7155 3.7526 4.2378 4.2512 4.3564 4.3910 4.4947 4.5111 5.5688 5.6284 5.7047 5.7797 5.9728 6.1237 6.3085 6.4095 6.6143 6.7613 6.7881 6.9185 7.3123 7.3724 7.4114 7.4591 8.5250 8.5341 12.9345 12.9431 13.2489 13.2492 13.5979 13.6172 13.9992 14.0060 14.7414 14.8207 k = 0.2938 0.5089 0.2060 ( 3494 PWs) bands (ev): -8.8277 -8.8242 -8.8095 -8.8057 -8.3335 -8.3333 0.8499 0.8520 1.5127 1.6004 1.9181 1.9364 1.9986 2.0637 2.0659 2.2161 2.2317 2.3641 2.4301 2.4541 3.1104 3.1234 3.1875 3.2930 3.4815 3.6391 3.6494 3.7060 3.7163 3.7593 4.2313 4.2494 4.3528 4.3816 4.5047 4.5188 5.5523 5.6094 5.6883 5.7610 5.9966 6.1512 6.2952 6.3817 6.5994 6.7650 6.7788 6.9292 7.3358 7.4043 7.4395 7.4827 8.5155 8.5258 12.8600 12.8703 13.2119 13.2124 13.6224 13.6476 13.9739 13.9776 14.8024 14.8916 k = 0.2881 0.4991 0.2060 ( 3506 PWs) bands (ev): -8.8309 -8.8273 -8.8106 -8.8067 -8.3335 -8.3332 0.8486 0.8510 1.5116 1.5943 1.9159 1.9368 1.9985 2.0643 2.0691 2.2140 2.2315 2.3570 2.4299 2.4564 3.1079 3.1243 3.1891 3.2963 3.4819 3.6346 3.6468 3.7087 3.7178 3.7661 4.2242 4.2477 4.3491 4.3722 4.5139 4.5261 5.5341 5.5906 5.6684 5.7425 6.0189 6.1774 6.2857 6.3564 6.5783 6.7687 6.7741 6.9400 7.3614 7.4352 7.4697 7.5108 8.5047 8.5161 12.7840 12.7961 13.1688 13.1701 13.6418 13.6747 13.9595 13.9627 14.8649 14.9630 k = 0.2825 0.4893 0.2060 ( 3502 PWs) bands (ev): -8.8343 -8.8308 -8.8120 -8.8080 -8.3335 -8.3332 0.8471 0.8499 1.5108 1.5880 1.9135 1.9368 1.9986 2.0649 2.0725 2.2120 2.2312 2.3497 2.4296 2.4580 3.1053 3.1252 3.1907 3.2997 3.4824 3.6298 3.6443 3.7109 3.7198 3.7728 4.2169 4.2461 4.3452 4.3630 4.5222 4.5329 5.5143 5.5725 5.6445 5.7253 6.0388 6.1978 6.2842 6.3345 6.5535 6.7585 6.7866 6.9513 7.3882 7.4638 7.5019 7.5435 8.4924 8.5049 12.7076 12.7212 13.1212 13.1231 13.6545 13.6960 13.9582 13.9628 14.9285 15.0348 k = 0.2768 0.4795 0.2060 ( 3510 PWs) bands (ev): -8.8380 -8.8344 -8.8138 -8.8098 -8.3335 -8.3332 0.8456 0.8487 1.5103 1.5817 1.9107 1.9365 1.9988 2.0655 2.0759 2.2101 2.2310 2.3425 2.4292 2.4590 3.1027 3.1260 3.1922 3.3031 3.4829 3.6246 3.6419 3.7125 3.7224 3.7793 4.2092 4.2446 4.3412 4.3539 4.5294 4.5390 5.4930 5.5550 5.6168 5.7098 6.0551 6.2067 6.2957 6.3170 6.5276 6.7493 6.8014 6.9631 7.4155 7.4898 7.5358 7.5801 8.4788 8.4922 12.6313 12.6463 13.0699 13.0722 13.6604 13.7104 13.9712 13.9776 14.9931 15.1069 k = 0.2712 0.4697 0.2060 ( 3502 PWs) bands (ev): -8.8420 -8.8384 -8.8159 -8.8119 -8.3335 -8.3332 0.8440 0.8474 1.5100 1.5755 1.9077 1.9359 1.9992 2.0661 2.0793 2.2082 2.2310 2.3353 2.4284 2.4592 3.1002 3.1266 3.1935 3.3065 3.4836 3.6191 3.6397 3.7135 3.7253 3.7856 4.2015 4.2432 4.3371 4.3450 4.5352 4.5442 5.4704 5.5383 5.5861 5.6958 6.0668 6.2054 6.3044 6.3172 6.5033 6.7418 6.8176 6.9754 7.4424 7.5136 7.5710 7.6194 8.4639 8.4782 12.5561 12.5724 13.0157 13.0183 13.6613 13.7184 13.9977 14.0052 15.0587 15.1795 k = 0.2655 0.4599 0.2060 ( 3510 PWs) bands (ev): -8.8462 -8.8426 -8.8184 -8.8144 -8.3336 -8.3332 0.8423 0.8460 1.5100 1.5695 1.9044 1.9349 1.9997 2.0668 2.0824 2.2065 2.2314 2.3282 2.4273 2.4587 3.0979 3.1270 3.1946 3.3096 3.4844 3.6135 3.6376 3.7138 3.7286 3.7915 4.1936 4.2418 4.3328 4.3361 4.5394 4.5482 5.4468 5.5222 5.5533 5.6829 6.0730 6.1988 6.2974 6.3405 6.4845 6.7370 6.8348 6.9882 7.4686 7.5356 7.6073 7.6600 8.4478 8.4629 12.4823 12.4997 12.9591 12.9620 13.6598 13.7224 14.0351 14.0426 15.1249 15.2524 k = 0.2599 0.4501 0.2060 ( 3506 PWs) bands (ev): -8.8507 -8.8470 -8.8213 -8.8173 -8.3336 -8.3332 0.8406 0.8445 1.5104 1.5638 1.9010 1.9334 2.0005 2.0674 2.0852 2.2050 2.2321 2.3212 2.4257 2.4575 3.0957 3.1270 3.1955 3.3126 3.4853 3.6078 3.6357 3.7135 3.7322 3.7970 4.1859 4.2403 4.3272 4.3284 4.5420 4.5511 5.4226 5.5067 5.5192 5.6706 6.0735 6.1892 6.2956 6.3573 6.4775 6.7356 6.8529 7.0016 7.4936 7.5561 7.6441 7.7011 8.4307 8.4466 12.4105 12.4289 12.9009 12.9039 13.6580 13.7248 14.0810 14.0877 15.1920 15.3257 k = 0.2542 0.4404 0.2060 ( 3506 PWs) bands (ev): -8.8554 -8.8517 -8.8246 -8.8206 -8.3337 -8.3333 0.8388 0.8429 1.5111 1.5584 1.8974 1.9317 2.0014 2.0681 2.0876 2.2036 2.2334 2.3143 2.4236 2.4555 3.0938 3.1267 3.1963 3.3152 3.4864 3.6022 3.6340 3.7125 3.7358 3.8019 4.1783 4.2387 4.3184 4.3239 4.5428 4.5525 5.3980 5.4845 5.4916 5.6586 6.0689 6.1770 6.2983 6.3624 6.4878 6.7381 6.8716 7.0154 7.5172 7.5750 7.6810 7.7416 8.4130 8.4295 12.3410 12.3602 12.8413 12.8445 13.6574 13.7274 14.1333 14.1387 15.2596 15.3995 k = 0.2486 0.4306 0.2060 ( 3496 PWs) bands (ev): -8.8603 -8.8566 -8.8282 -8.8242 -8.3338 -8.3334 0.8369 0.8413 1.5121 1.5534 1.8936 1.9295 2.0025 2.0688 2.0895 2.2024 2.2353 2.3077 2.4210 2.4527 3.0921 3.1258 3.1969 3.3176 3.4877 3.5966 3.6325 3.7109 3.7396 3.8062 4.1709 4.2369 4.3095 4.3192 4.5418 4.5526 5.3735 5.4496 5.4769 5.6467 6.0602 6.1615 6.3044 6.3601 6.5119 6.7447 6.8909 7.0299 7.5392 7.5925 7.7173 7.7809 8.3951 8.4120 12.2741 12.2940 12.7807 12.7841 13.6588 13.7312 14.1909 14.1945 15.3278 15.4735 k = 0.2429 0.4208 0.2060 ( 3500 PWs) bands (ev): -8.8655 -8.8618 -8.8323 -8.8282 -8.3339 -8.3335 0.8350 0.8395 1.5135 1.5488 1.8897 1.9271 2.0037 2.0695 2.0909 2.2013 2.2377 2.3012 2.4177 2.4492 3.0907 3.1244 3.1974 3.3197 3.4891 3.5913 3.6313 3.7088 3.7434 3.8099 4.1638 4.2348 4.3005 4.3143 4.5390 4.5511 5.3492 5.4152 5.4626 5.6347 6.0485 6.1426 6.3129 6.3575 6.5428 6.7554 6.9108 7.0448 7.5595 7.6085 7.7523 7.8181 8.3776 8.3946 12.2098 12.2304 12.7194 12.7229 13.6626 13.7368 14.2529 14.2545 15.3965 15.5472 k = 0.2373 0.4110 0.2060 ( 3502 PWs) bands (ev): -8.8709 -8.8672 -8.8366 -8.8326 -8.3340 -8.3336 0.8331 0.8375 1.5152 1.5446 1.8857 1.9245 2.0052 2.0701 2.0918 2.2005 2.2406 2.2949 2.4138 2.4451 3.0895 3.1224 3.1978 3.3214 3.4908 3.5863 3.6302 3.7063 3.7471 3.8127 4.1571 4.2324 4.2915 4.3093 4.5344 4.5481 5.3255 5.3814 5.4486 5.6223 6.0347 6.1206 6.3231 6.3583 6.5764 6.7698 6.9313 7.0603 7.5781 7.6230 7.7853 7.8523 8.3613 8.3779 12.1483 12.1695 12.6576 12.6613 13.6690 13.7445 14.3182 14.3190 15.4654 15.6192 k = 0.2316 0.4012 0.2060 ( 3506 PWs) bands (ev): -8.8765 -8.8729 -8.8414 -8.8374 -8.3342 -8.3337 0.8311 0.8355 1.5170 1.5408 1.8817 1.9217 2.0068 2.0706 2.0924 2.1997 2.2439 2.2888 2.4092 2.4402 3.0886 3.1197 3.1983 3.3227 3.4926 3.5816 3.6292 3.7034 3.7506 3.8148 4.1507 4.2296 4.2823 4.3041 4.5281 4.5437 5.3025 5.3485 5.4347 5.6095 6.0196 6.0964 6.3348 6.3636 6.6109 6.7875 6.9524 7.0763 7.5950 7.6359 7.8154 7.8826 8.3472 8.3627 12.0895 12.1112 12.5954 12.5993 13.6781 13.7545 14.3853 14.3888 15.5340 15.6834 k = 0.2260 0.3914 0.2060 ( 3514 PWs) bands (ev): -8.8823 -8.8787 -8.8465 -8.8425 -8.3343 -8.3339 0.8290 0.8332 1.5191 1.5374 1.8775 1.9188 2.0085 2.0710 2.0926 2.1991 2.2474 2.2828 2.4041 2.4346 3.0879 3.1163 3.1987 3.3236 3.4945 3.5772 3.6284 3.7003 3.7540 3.8159 4.1447 4.2262 4.2729 4.2988 4.5203 4.5378 5.2804 5.3168 5.4211 5.5960 6.0036 6.0712 6.3480 6.3731 6.6452 6.8077 6.9741 7.0928 7.6102 7.6472 7.8419 7.9077 8.3366 8.3499 12.0334 12.0555 12.5329 12.5370 13.6899 13.7666 14.4556 14.4621 15.6008 15.7214 k = 0.2203 0.3816 0.2060 ( 3518 PWs) bands (ev): -8.8883 -8.8847 -8.8519 -8.8480 -8.3344 -8.3340 0.8268 0.8308 1.5212 1.5344 1.8733 1.9160 2.0103 2.0712 2.0927 2.1986 2.2512 2.2771 2.3985 2.4285 3.0874 3.1124 3.1991 3.3243 3.4967 3.5733 3.6276 3.6970 3.7570 3.8162 4.1392 4.2224 4.2634 4.2933 4.5111 4.5307 5.2593 5.2863 5.4077 5.5820 5.9873 6.0460 6.3625 6.3864 6.6787 6.8298 6.9965 7.1099 7.6239 7.6569 7.8638 7.9267 8.3305 8.3404 11.9798 12.0022 12.4701 12.4745 13.7044 13.7809 14.5286 14.5387 15.6621 15.7208 k = 0.2147 0.3719 0.2060 ( 3522 PWs) bands (ev): -8.8945 -8.8910 -8.8577 -8.8538 -8.3346 -8.3341 0.8246 0.8283 1.5234 1.5318 1.8690 1.9133 2.0121 2.0712 2.0927 2.1981 2.2549 2.2716 2.3924 2.4218 3.0871 3.1079 3.1996 3.3246 3.4989 3.5698 3.6267 3.6939 3.7598 3.8156 4.1342 4.2179 4.2537 4.2878 4.5010 4.5223 5.2392 5.2572 5.3945 5.5672 5.9711 6.0217 6.3785 6.4029 6.7107 6.8530 7.0196 7.1274 7.6360 7.6651 7.8804 7.9387 8.3302 8.3351 11.9285 11.9513 12.4073 12.4119 13.7213 13.7972 14.6041 14.6181 15.6948 15.7076 k = 0.2090 0.3621 0.2060 ( 3522 PWs) bands (ev): -8.9008 -8.8974 -8.8638 -8.8599 -8.3347 -8.3343 0.8222 0.8255 1.5254 1.5294 1.8647 1.9109 2.0139 2.0709 2.0927 2.1977 2.2584 2.2663 2.3859 2.4146 3.0870 3.1029 3.2001 3.3246 3.5013 3.5667 3.6257 3.6908 3.7621 3.8141 4.1296 4.2128 4.2440 4.2823 4.4900 4.5130 5.2202 5.2295 5.3814 5.5516 5.9551 5.9986 6.3960 6.4220 6.7411 6.8766 7.0433 7.1455 7.6468 7.6718 7.8914 7.9438 8.3346 8.3359 11.8794 11.9025 12.3442 12.3492 13.7406 13.8155 14.6814 14.6999 15.6537 15.7161 k = 0.2034 0.3523 0.2060 ( 3526 PWs) bands (ev): -8.9074 -8.9039 -8.8702 -8.8664 -8.3348 -8.3344 0.8197 0.8226 1.5273 1.5273 1.8604 1.9088 2.0156 2.0703 2.0929 2.1973 2.2612 2.2615 2.3792 2.4069 3.0871 3.0975 3.2008 3.3243 3.5036 3.5641 3.6243 3.6880 3.7640 3.8117 4.1254 4.2070 4.2341 4.2769 4.4786 4.5028 5.2023 5.2033 5.3684 5.5353 5.9398 5.9774 6.4148 6.4434 6.7693 6.9000 7.0676 7.1640 7.6563 7.6771 7.8968 7.9425 8.3391 8.3473 11.8323 11.8555 12.2811 12.2864 13.7620 13.8356 14.7592 14.7831 15.6031 15.6809 k = 0.1977 0.3425 0.2060 ( 3526 PWs) bands (ev): -8.9140 -8.9106 -8.8769 -8.8732 -8.3349 -8.3344 0.8171 0.8194 1.5254 1.5289 1.8561 1.9071 2.0172 2.0692 2.0934 2.1968 2.2563 2.2640 2.3724 2.3988 3.0875 3.0918 3.2015 3.3239 3.5060 3.5619 3.6226 3.6856 3.7654 3.8086 4.1216 4.2004 4.2242 4.2716 4.4670 4.4920 5.1786 5.1854 5.3556 5.5184 5.9253 5.9581 6.4348 6.4665 6.7953 6.9225 7.0924 7.1829 7.6648 7.6811 7.8972 7.9364 8.3481 8.3634 11.7868 11.8102 12.2178 12.2235 13.7855 13.8574 14.8353 14.8655 15.5478 15.6225 k = 0.1921 0.3327 0.2060 ( 3526 PWs) bands (ev): -8.9208 -8.9174 -8.8839 -8.8802 -8.3349 -8.3345 0.8143 0.8160 1.5237 1.5301 1.8517 1.9059 2.0186 2.0677 2.0942 2.1962 2.2517 2.2658 2.3657 2.3903 3.0859 3.0881 3.2023 3.3233 3.5084 3.5602 3.6205 3.6834 3.7662 3.8048 4.1182 4.1930 4.2143 4.2665 4.4555 4.4807 5.1553 5.1696 5.3428 5.5009 5.9118 5.9408 6.4559 6.4910 6.8187 6.9437 7.1175 7.2022 7.6725 7.6841 7.8939 7.9271 8.3611 8.3829 11.7428 11.7664 12.1544 12.1605 13.8107 13.8807 14.9053 14.9433 15.4943 15.5590 k = 0.1864 0.3229 0.2060 ( 3530 PWs) bands (ev): -8.9277 -8.9244 -8.8912 -8.8875 -8.3349 -8.3345 0.8113 0.8124 1.5220 1.5308 1.8474 1.9051 2.0196 2.0657 2.0954 2.1954 2.2474 2.2667 2.3591 2.3815 3.0801 3.0890 3.2033 3.3226 3.5107 3.5588 3.6179 3.6816 3.7664 3.8003 4.1152 4.1848 4.2045 4.2619 4.4443 4.4693 5.1335 5.1548 5.3302 5.4829 5.8995 5.9255 6.4780 6.5166 6.8395 6.9629 7.1428 7.2217 7.6798 7.6864 7.8880 7.9162 8.3769 8.4047 11.7000 11.7237 12.0909 12.0975 13.8376 13.9053 14.9602 15.0074 15.4532 15.5054 k = 0.1808 0.3131 0.2060 ( 3520 PWs) bands (ev): -8.9346 -8.9314 -8.8986 -8.8950 -8.3349 -8.3345 0.8081 0.8085 1.5203 1.5310 1.8430 1.9049 2.0203 2.0633 2.0970 2.1943 2.2434 2.2665 2.3529 2.3726 3.0743 3.0902 3.2044 3.3218 3.5128 3.5579 3.6149 3.6800 3.7660 3.7954 4.1124 4.1759 4.1948 4.2578 4.4337 4.4577 5.1131 5.1409 5.3177 5.4647 5.8883 5.9121 6.5007 6.5429 6.8575 6.9798 7.1681 7.2413 7.6870 7.6884 7.8808 7.9051 8.3948 8.4277 11.6583 11.6820 12.0274 12.0344 13.8659 13.9311 14.9852 15.0409 15.4406 15.4815 k = 0.1751 0.3034 0.2060 ( 3520 PWs) bands (ev): -8.9417 -8.9385 -8.9063 -8.9028 -8.3348 -8.3344 0.8043 0.8047 1.5186 1.5305 1.8387 1.9051 2.0206 2.0604 2.0991 2.1930 2.2398 2.2653 2.3472 2.3634 3.0688 3.0918 3.2057 3.3210 3.5147 3.5574 3.6115 3.6785 3.7649 3.7900 4.1098 4.1664 4.1855 4.2542 4.4238 4.4464 5.0941 5.1279 5.3052 5.4464 5.8783 5.9004 6.5238 6.5695 6.8727 6.9940 7.1929 7.2606 7.6906 7.6945 7.8735 7.8950 8.4137 8.4511 11.6175 11.6411 11.9638 11.9713 13.8953 13.9579 14.9690 15.0274 15.4686 15.5049 k = 0.1695 0.2936 0.2060 ( 3516 PWs) bands (ev): -8.9488 -8.9457 -8.9142 -8.9107 -8.3347 -8.3344 0.7998 0.8010 1.5167 1.5295 1.8345 1.9058 2.0205 2.0571 2.1016 2.1912 2.2366 2.2629 2.3419 2.3542 3.0636 3.0938 3.2071 3.3203 3.5164 3.5571 3.6078 3.6771 3.7632 3.7843 4.1073 4.1564 4.1766 4.2513 4.4145 4.4352 5.0766 5.1158 5.2929 5.4280 5.8696 5.8903 6.5473 6.5963 6.8852 7.0052 7.2169 7.2792 7.6936 7.7027 7.8670 7.8864 8.4331 8.4744 11.5772 11.6008 11.9002 11.9082 13.9258 13.9855 14.9175 14.9727 15.5324 15.5710 k = 0.1638 0.2838 0.2060 ( 3522 PWs) bands (ev): -8.9559 -8.9529 -8.9222 -8.9189 -8.3345 -8.3342 0.7951 0.7971 1.5147 1.5278 1.8303 1.9068 2.0199 2.0534 2.1045 2.1890 2.2339 2.2595 2.3371 2.3448 3.0588 3.0962 3.2087 3.3196 3.5179 3.5572 3.6039 3.6757 3.7608 3.7784 4.1047 4.1462 4.1683 4.2489 4.4060 4.4245 5.0605 5.1045 5.2808 5.4098 5.8619 5.8814 6.5709 6.6230 6.8951 7.0134 7.2397 7.2967 7.6983 7.7123 7.8619 7.8800 8.4523 8.4972 11.5375 11.5610 11.8367 11.8452 13.9570 14.0137 14.8441 14.8941 15.6189 15.6629 k = 0.1582 0.2740 0.2060 ( 3526 PWs) bands (ev): -8.9631 -8.9601 -8.9304 -8.9271 -8.3343 -8.3340 0.7901 0.7929 1.5124 1.5254 1.8262 1.9080 2.0188 2.0494 2.1076 2.1862 2.2316 2.2552 2.3326 2.3355 3.0547 3.0991 3.2106 3.3191 3.5192 3.5575 3.5997 3.6741 3.7578 3.7723 4.1021 4.1361 4.1607 4.2473 4.3982 4.4143 5.0457 5.0939 5.2687 5.3918 5.8553 5.8735 6.5944 6.6492 6.9027 7.0187 7.2608 7.3124 7.7054 7.7238 7.8587 7.8761 8.4709 8.5190 11.4982 11.5215 11.7734 11.7824 13.9887 14.0424 14.7586 14.8032 15.7190 15.7693 k = 0.1525 0.2642 0.2060 ( 3526 PWs) bands (ev): -8.9702 -8.9673 -8.9386 -8.9355 -8.3341 -8.3338 0.7848 0.7884 1.5099 1.5224 1.8222 1.9092 2.0174 2.0453 2.1109 2.1830 2.2296 2.2503 2.3263 2.3283 3.0512 3.1026 3.2127 3.3187 3.5203 3.5581 3.5954 3.6725 3.7543 3.7661 4.0992 4.1261 4.1540 4.2461 4.3911 4.4047 5.0323 5.0841 5.2568 5.3740 5.8495 5.8665 6.6176 6.6749 6.9084 7.0214 7.2796 7.3259 7.7153 7.7379 7.8577 7.8749 8.4887 8.5398 11.4592 11.4823 11.7104 11.7199 14.0208 14.0713 14.6662 14.7059 15.8279 15.8846 k = 0.1469 0.2544 0.2060 ( 3516 PWs) bands (ev): -8.9773 -8.9745 -8.9469 -8.9439 -8.3338 -8.3335 0.7792 0.7835 1.5071 1.5188 1.8184 1.9104 2.0155 2.0411 2.1142 2.1793 2.2280 2.2451 2.3172 2.3240 3.0485 3.1066 3.2151 3.3184 3.5211 3.5587 3.5910 3.6707 3.7502 3.7599 4.0959 4.1167 4.1485 4.2455 4.3846 4.3956 5.0203 5.0749 5.2451 5.3566 5.8445 5.8599 6.6406 6.6999 6.9125 7.0218 7.2957 7.3367 7.7284 7.7550 7.8590 7.8768 8.5053 8.5592 11.4205 11.4433 11.6480 11.6579 14.0531 14.1003 14.5696 14.6051 15.9430 16.0063 k = 0.1412 0.2446 0.2060 ( 3512 PWs) bands (ev): -8.9844 -8.9817 -8.9553 -8.9524 -8.3334 -8.3332 0.7734 0.7784 1.5039 1.5146 1.8147 1.9112 2.0133 2.0370 2.1175 2.1751 2.2266 2.2396 2.3082 2.3196 3.0467 3.1111 3.2178 3.3184 3.5218 3.5596 3.5865 3.6689 3.7458 3.7536 4.0922 4.1077 4.1440 4.2454 4.3786 4.3872 5.0096 5.0665 5.2335 5.3395 5.8401 5.8538 6.6632 6.7241 6.9156 7.0205 7.3087 7.3446 7.7444 7.7756 7.8625 7.8818 8.5204 8.5771 11.3820 11.4043 11.5862 11.5966 14.0852 14.1290 14.4705 14.5024 16.0628 16.1326 k = 0.1356 0.2349 0.2060 ( 3516 PWs) bands (ev): -8.9914 -8.9888 -8.9637 -8.9609 -8.3331 -8.3328 0.7673 0.7729 1.5003 1.5099 1.8113 1.9116 2.0108 2.0330 2.1207 2.1705 2.2254 2.2341 2.2996 2.3151 3.0457 3.1162 3.2208 3.3185 3.5223 3.5605 3.5821 3.6670 3.7410 3.7474 4.0881 4.0995 4.1407 4.2456 4.3732 4.3795 5.0002 5.0587 5.2221 5.3228 5.8360 5.8477 6.6853 6.7472 6.9182 7.0180 7.3184 7.3495 7.7626 7.7998 7.8681 7.8907 8.5341 8.5934 11.3437 11.3655 11.5253 11.5360 14.1169 14.1570 14.3702 14.3994 16.1865 16.2625 k = 0.1299 0.2251 0.2060 ( 3524 PWs) bands (ev): -8.9983 -8.9958 -8.9721 -8.9693 -8.3326 -8.3324 0.7610 0.7671 1.4964 1.5048 1.8081 1.9115 2.0080 2.0294 2.1236 2.1655 2.2242 2.2288 2.2913 2.3104 3.0456 3.1217 3.2241 3.3188 3.5226 3.5615 3.5779 3.6650 3.7360 3.7411 4.0838 4.0921 4.1384 4.2461 4.3681 4.3724 4.9920 5.0515 5.2109 5.3064 5.8321 5.8415 6.7069 6.7694 6.9210 7.0151 7.3247 7.3516 7.7818 7.8274 7.8759 7.9040 8.5460 8.6080 11.3056 11.3267 11.4655 11.4765 14.1473 14.1818 14.2702 14.2988 16.3132 16.3953 k = 0.1243 0.2153 0.2060 ( 3516 PWs) bands (ev): -9.0051 -9.0027 -8.9804 -8.9777 -8.3322 -8.3320 0.7544 0.7611 1.4921 1.4993 1.8052 1.9107 2.0049 2.0261 2.1261 2.1602 2.2228 2.2236 2.2835 2.3056 3.0465 3.1277 3.2278 3.3193 3.5228 3.5626 3.5739 3.6630 3.7309 3.7348 4.0794 4.0855 4.1370 4.2469 4.3635 4.3659 4.9851 5.0449 5.1998 5.2903 5.8282 5.8351 6.7279 6.7905 6.9244 7.0122 7.3279 7.3513 7.8004 7.8570 7.8866 7.9225 8.5561 8.6207 11.2678 11.2879 11.4072 11.4182 14.1534 14.1695 14.1938 14.2350 16.4424 16.5304 k = 0.1186 0.2055 0.2060 ( 3516 PWs) bands (ev): -9.0118 -9.0094 -8.9886 -8.9861 -8.3317 -8.3315 0.7476 0.7547 1.4875 1.4934 1.8027 1.9093 2.0016 2.0231 2.1283 2.1547 2.2186 2.2213 2.2762 2.3006 3.0483 3.1340 3.2318 3.3199 3.5228 3.5639 3.5702 3.6610 3.7258 3.7286 4.0751 4.0797 4.1363 4.2478 4.3591 4.3599 4.9793 5.0389 5.1889 5.2745 5.8242 5.8284 6.7485 6.8104 6.9291 7.0100 7.3282 7.3489 7.8174 7.8828 7.9053 7.9465 8.5644 8.6314 11.2302 11.2490 11.3508 11.3616 14.0619 14.0777 14.2145 14.2507 16.5735 16.6670 k = 0.1130 0.1957 0.2060 ( 3526 PWs) bands (ev): -9.0183 -9.0160 -8.9967 -8.9943 -8.3312 -8.3310 0.7407 0.7481 1.4825 1.4873 1.8005 1.9072 1.9981 2.0203 2.1300 2.1492 2.2139 2.2194 2.2697 2.2956 3.0509 3.1405 3.2362 3.3206 3.5226 3.5653 3.5670 3.6589 3.7208 3.7225 4.0711 4.0747 4.1362 4.2488 4.3545 4.3550 4.9746 5.0333 5.1781 5.2590 5.8198 5.8212 6.7685 6.8292 6.9353 7.0089 7.3261 7.3447 7.8323 7.8987 7.9374 7.9754 8.5707 8.6402 11.1929 11.2099 11.2968 11.3069 13.9621 13.9767 14.2434 14.2759 16.7059 16.8045 k = 0.1073 0.1859 0.2060 ( 3526 PWs) bands (ev): -9.0246 -9.0225 -9.0047 -9.0024 -8.3306 -8.3305 0.7336 0.7413 1.4772 1.4810 1.7987 1.9046 1.9944 2.0175 2.1312 2.1436 2.2095 2.2170 2.2640 2.2906 3.0543 3.1472 3.2410 3.3214 3.5224 3.5644 3.5668 3.6565 3.7161 3.7167 4.0674 4.0705 4.1366 4.2498 4.3496 4.3512 4.9709 5.0283 5.1675 5.2437 5.8136 5.8151 6.7880 6.8470 6.9434 7.0093 7.3220 7.3393 7.8456 7.9115 7.9752 8.0084 8.5751 8.6468 11.1558 11.1705 11.2457 11.2545 13.8627 13.8755 14.2720 14.3015 16.8391 16.9421 k = 0.1017 0.1761 0.2060 ( 3522 PWs) bands (ev): -9.0308 -9.0287 -9.0124 -9.0102 -8.3301 -8.3299 0.7264 0.7343 1.4717 1.4746 1.7973 1.9015 1.9906 2.0147 2.1319 2.1383 2.2053 2.2141 2.2592 2.2857 3.0585 3.1540 3.2461 3.3221 3.5220 3.5625 3.5685 3.6540 3.7111 3.7116 4.0642 4.0670 4.1373 4.2508 4.3452 4.3475 4.9682 5.0237 5.1571 5.2286 5.8056 5.8098 6.8070 6.8637 6.9535 7.0117 7.3163 7.3328 7.8575 7.9241 8.0150 8.0441 8.5774 8.6514 11.1190 11.1305 11.1981 11.2049 13.7644 13.7755 14.2999 14.3268 16.9726 17.0792 k = 0.0960 0.1664 0.2060 ( 3526 PWs) bands (ev): -9.0367 -9.0347 -9.0200 -9.0179 -8.3295 -8.3294 0.7192 0.7271 1.4660 1.4681 1.7962 1.8980 1.9867 2.0115 2.1321 2.1333 2.2013 2.2107 2.2553 2.2810 3.0634 3.1607 3.2515 3.3227 3.5215 3.5615 3.5704 3.6510 3.7059 3.7074 4.0616 4.0642 4.1384 4.2517 4.3411 4.3440 4.9664 5.0195 5.1469 5.2137 5.7972 5.8041 6.8254 6.8797 6.9655 7.0161 7.3093 7.3255 7.8686 7.9368 8.0557 8.0815 8.5777 8.6537 11.0824 11.0900 11.1543 11.1585 13.6676 13.6771 14.3268 14.3512 17.1055 17.2148 k = 0.0904 0.1566 0.2060 ( 3534 PWs) bands (ev): -9.0424 -9.0406 -9.0273 -9.0253 -8.3289 -8.3288 0.7120 0.7199 1.4601 1.4617 1.7957 1.8944 1.9827 2.0080 2.1288 2.1319 2.1975 2.2067 2.2522 2.2765 3.0689 3.1672 3.2572 3.3232 3.5209 3.5613 3.5725 3.6475 3.7013 3.7037 4.0595 4.0619 4.1399 4.2524 4.3373 4.3406 4.9653 5.0156 5.1370 5.1991 5.7885 5.7979 6.8432 6.8951 6.9793 7.0228 7.3015 7.3177 7.8792 7.9496 8.0966 8.1196 8.5761 8.6539 11.0459 11.0495 11.1144 11.1156 13.5728 13.5807 14.3525 14.3746 17.2372 17.3480 k = 0.0847 0.1468 0.2060 ( 3538 PWs) bands (ev): -9.0478 -9.0461 -9.0343 -9.0324 -8.3283 -8.3282 0.7048 0.7126 1.4542 1.4552 1.7955 1.8905 1.9787 2.0039 2.1250 2.1313 2.1938 2.2024 2.2498 2.2724 3.0749 3.1734 3.2631 3.3235 3.5203 3.5620 3.5747 3.6435 3.6972 3.7004 4.0579 4.0602 4.1416 4.2529 4.3339 4.3373 4.9650 5.0120 5.1273 5.1846 5.7797 5.7912 6.8603 6.9101 6.9945 7.0317 7.2930 7.3096 7.8896 7.9625 8.1369 8.1577 8.5726 8.6519 11.0098 11.0100 11.0765 11.0779 13.4803 13.4867 14.3771 14.3970 17.3670 17.4777 k = 0.0791 0.1370 0.2060 ( 3530 PWs) bands (ev): -9.0530 -9.0514 -9.0410 -9.0393 -8.3277 -8.3277 0.6978 0.7054 1.4483 1.4489 1.7957 1.8867 1.9747 1.9992 2.1218 2.1304 2.1903 2.1978 2.2479 2.2686 3.0813 3.1793 3.2691 3.3234 3.5198 3.5637 3.5772 3.6388 3.6937 3.6975 4.0569 4.0591 4.1437 4.2531 4.3307 4.3341 4.9652 5.0086 5.1180 5.1703 5.7708 5.7842 6.8769 6.9248 7.0108 7.0426 7.2841 7.3014 7.8998 7.9755 8.1762 8.1952 8.5673 8.6478 10.9718 10.9749 11.0412 11.0443 13.3903 13.3954 14.4003 14.4183 17.4940 17.6030 k = 0.0734 0.1272 0.2060 ( 3530 PWs) bands (ev): -9.0579 -9.0564 -9.0473 -9.0457 -8.3271 -8.3271 0.6909 0.6983 1.4424 1.4428 1.7963 1.8828 1.9707 1.9940 2.1195 2.1293 2.1868 2.1930 2.2465 2.2652 3.0881 3.1847 3.2751 3.3231 3.5193 3.5662 3.5798 3.6335 3.6909 3.6950 4.0564 4.0583 4.1461 4.2530 4.3278 4.3310 4.9660 5.0053 5.1091 5.1564 5.7621 5.7769 6.8928 6.9393 7.0281 7.0555 7.2751 7.2931 7.9100 7.9884 8.2138 8.2315 8.5604 8.6415 10.9361 10.9413 11.0093 11.0134 13.3034 13.3072 14.4222 14.4383 17.6173 17.7226 k = 0.0678 0.1174 0.2060 ( 3534 PWs) bands (ev): -9.0625 -9.0611 -9.0533 -9.0519 -8.3266 -8.3266 0.6843 0.6913 1.4366 1.4368 1.7973 1.8789 1.9668 1.9884 2.1178 2.1281 2.1833 2.1882 2.2454 2.2621 3.0952 3.1895 3.2811 3.3225 3.5189 3.5695 3.5826 3.6277 3.6886 3.6930 4.0564 4.0580 4.1489 4.2526 4.3250 4.3279 4.9671 5.0022 5.1006 5.1428 5.7536 5.7694 6.9080 6.9535 7.0461 7.0699 7.2661 7.2850 7.9203 8.0011 8.2495 8.2661 8.5522 8.6333 10.9034 10.9097 10.9807 10.9849 13.2198 13.2225 14.4426 14.4570 17.7361 17.8356 k = 0.0621 0.1076 0.2060 ( 3542 PWs) bands (ev): -9.0668 -9.0655 -9.0590 -9.0576 -8.3261 -8.3260 0.6779 0.6845 1.4311 1.4311 1.7987 1.8750 1.9630 1.9826 2.1168 2.1268 2.1800 2.1835 2.2446 2.2593 3.1025 3.1937 3.2869 3.3217 3.5187 3.5734 3.5855 3.6214 3.6868 3.6913 4.0568 4.0580 4.1520 4.2517 4.3224 4.3250 4.9686 4.9992 5.0926 5.1296 5.7455 5.7619 6.9226 6.9672 7.0644 7.0855 7.2573 7.2770 7.9308 8.0135 8.2826 8.2987 8.5429 8.6232 10.8738 10.8805 10.9551 10.9588 13.1400 13.1417 14.4616 14.4744 17.8494 17.9409 k = 0.0565 0.0979 0.2060 ( 3542 PWs) bands (ev): -9.0708 -9.0696 -9.0642 -9.0629 -8.3256 -8.3255 0.6719 0.6781 1.4258 1.4258 1.8004 1.8712 1.9594 1.9766 2.1164 2.1256 2.1766 2.1789 2.2439 2.2568 3.1100 3.1972 3.2924 3.3208 3.5189 3.5778 3.5885 3.6148 3.6854 3.6900 4.0575 4.0582 4.1555 4.2503 4.3200 4.3222 4.9703 4.9962 5.0852 5.1170 5.7380 5.7545 6.9366 6.9803 7.0829 7.1017 7.2489 7.2693 7.9416 8.0255 8.3129 8.3290 8.5328 8.6113 10.8476 10.8542 10.9322 10.9352 13.0645 13.0653 14.4791 14.4904 17.9563 18.0379 k = 0.0508 0.0881 0.2060 ( 3546 PWs) bands (ev): -9.0744 -9.0733 -9.0689 -9.0678 -8.3251 -8.3251 0.6663 0.6720 1.4208 1.4208 1.8023 1.8673 1.9560 1.9708 2.1164 2.1245 2.1734 2.1744 2.2434 2.2546 3.1176 3.1999 3.2975 3.3198 3.5194 3.5824 3.5916 3.6081 3.6843 3.6889 4.0585 4.0587 4.1594 4.2485 4.3178 4.3195 4.9720 4.9934 5.0784 5.1050 5.7310 5.7473 6.9500 6.9925 7.1013 7.1182 7.2409 7.2620 7.9527 8.0369 8.3399 8.3566 8.5226 8.5980 10.8248 10.8308 10.9121 10.9139 12.9937 12.9938 14.4950 14.5050 18.0558 18.1260 k = 0.0452 0.0783 0.2060 ( 3546 PWs) bands (ev): -9.0776 -9.0767 -9.0733 -9.0723 -8.3246 -8.3246 0.6611 0.6663 1.4162 1.4162 1.8046 1.8634 1.9528 1.9652 2.1169 2.1236 2.1701 2.1702 2.2429 2.2526 3.1253 3.2018 3.3021 3.3189 3.5203 3.5868 3.5946 3.6013 3.6834 3.6880 4.0594 4.0596 4.1638 4.2461 4.3157 4.3170 4.9738 4.9907 5.0723 5.0938 5.7248 5.7404 6.9628 7.0037 7.1193 7.1344 7.2336 7.2550 7.9643 8.0474 8.3634 8.3815 8.5129 8.5833 10.8053 10.8104 10.8947 10.8952 12.9276 12.9282 14.5094 14.5180 18.1472 18.2049 k = 0.0395 0.0685 0.2060 ( 3542 PWs) bands (ev): -9.0805 -9.0797 -9.0771 -9.0762 -8.3242 -8.3242 0.6565 0.6611 1.4120 1.4121 1.8072 1.8595 1.9498 1.9600 2.1177 2.1229 2.1661 2.1671 2.2427 2.2509 3.1330 3.2026 3.3062 3.3180 3.5217 3.5897 3.5961 3.5976 3.6828 3.6873 4.0603 4.0608 4.1685 4.2432 4.3139 4.3148 4.9755 4.9881 5.0668 5.0836 5.7194 5.7339 6.9750 7.0137 7.1364 7.1498 7.2271 7.2484 7.9762 8.0567 8.3831 8.4034 8.5043 8.5678 10.7890 10.7930 10.8791 10.8798 12.8675 12.8684 14.5223 14.5296 18.2297 18.2746 k = 0.0339 0.0587 0.2060 ( 3542 PWs) bands (ev): -9.0830 -9.0824 -9.0805 -9.0797 -8.3239 -8.3239 0.6524 0.6564 1.4084 1.4084 1.8100 1.8555 1.9473 1.9553 2.1186 2.1225 2.1625 2.1642 2.2425 2.2494 3.1406 3.2025 3.3096 3.3174 3.5236 3.5855 3.5975 3.6004 3.6823 3.6867 4.0612 4.0620 4.1735 4.2397 4.3122 4.3128 4.9770 4.9858 5.0620 5.0745 5.7148 5.7279 6.9864 7.0221 7.1525 7.1639 7.2214 7.2424 7.9886 8.0645 8.3987 8.4222 8.4977 8.5517 10.7754 10.7784 10.8656 10.8673 12.8138 12.8150 14.5335 14.5396 18.3026 18.3353 k = 0.0282 0.0489 0.2060 ( 3546 PWs) bands (ev): -9.0852 -9.0847 -9.0833 -9.0827 -8.3236 -8.3236 0.6490 0.6523 1.4052 1.4052 1.8130 1.8515 1.9450 1.9512 2.1197 2.1223 2.1592 2.1614 2.2424 2.2480 3.1481 3.2013 3.3124 3.3171 3.5262 3.5789 3.6011 3.6031 3.6821 3.6862 4.0621 4.0631 4.1790 4.2356 4.3107 4.3111 4.9783 4.9838 5.0579 5.0666 5.7111 5.7225 6.9971 7.0289 7.1670 7.1762 7.2169 7.2368 8.0013 8.0702 8.4104 8.4379 8.4936 8.5355 10.7645 10.7664 10.8546 10.8571 12.7672 12.7685 14.5430 14.5481 18.3653 18.3869 k = 0.0226 0.0391 0.2060 ( 3550 PWs) bands (ev): -9.0869 -9.0865 -9.0857 -9.0851 -8.3233 -8.3233 0.6461 0.6488 1.4025 1.4026 1.8162 1.8474 1.9432 1.9478 2.1208 2.1223 2.1564 2.1587 2.2424 2.2468 3.1555 3.1992 3.3145 3.3170 3.5293 3.5722 3.6043 3.6054 3.6820 3.6856 4.0630 4.0640 4.1847 4.2310 4.3094 4.3096 4.9792 4.9823 5.0544 5.0601 5.7083 5.7178 7.0068 7.0338 7.1798 7.1865 7.2135 7.2317 8.0140 8.0736 8.4189 8.4500 8.4920 8.5201 10.7558 10.7569 10.8462 10.8489 12.7282 12.7295 14.5509 14.5549 18.4173 18.4299 k = 0.0169 0.0294 0.2060 ( 3540 PWs) bands (ev): -9.0883 -9.0880 -9.0875 -9.0870 -8.3231 -8.3231 0.6440 0.6460 1.4005 1.4005 1.8197 1.8433 1.9419 1.9451 2.1218 2.1225 2.1543 2.1564 2.2425 2.2458 3.1627 3.1961 3.3160 3.3171 3.5330 3.5655 3.6069 3.6074 3.6822 3.6851 4.0639 4.0647 4.1906 4.2260 4.3084 4.3085 4.9797 4.9811 5.0516 5.0550 5.7064 5.7137 7.0156 7.0368 7.1904 7.1943 7.2114 7.2273 8.0267 8.0743 8.4256 8.4580 8.4921 8.5068 10.7492 10.7497 10.8402 10.8428 12.6974 12.6985 14.5572 14.5602 18.4581 18.4640 k = 0.0113 0.0196 0.2060 ( 3536 PWs) bands (ev): -9.0892 -9.0891 -9.0888 -9.0884 -8.3230 -8.3230 0.6425 0.6439 1.3990 1.3990 1.8233 1.8391 1.9410 1.9430 2.1225 2.1228 2.1528 2.1545 2.2428 2.2449 3.1695 3.1921 3.3170 3.3173 3.5372 3.5591 3.6087 3.6089 3.6825 3.6845 4.0646 4.0652 4.1967 4.2206 4.3077 4.3077 4.9800 4.9804 5.0496 5.0514 5.7054 5.7104 7.0231 7.0378 7.1982 7.1997 7.2110 7.2234 8.0388 8.0720 8.4321 8.4601 8.4929 8.4976 10.7446 10.7448 10.8363 10.8383 12.6751 12.6759 14.5619 14.5638 18.4872 18.4891 k = 0.0056 0.0098 0.2060 ( 3536 PWs) bands (ev): -9.0898 -9.0897 -9.0895 -9.0893 -8.3229 -8.3229 0.6418 0.6425 1.3981 1.3981 1.8271 1.8350 1.9406 1.9416 2.1230 2.1230 2.1521 2.1530 2.2431 2.2442 3.1760 3.1874 3.3175 3.3175 3.5420 3.5530 3.6099 3.6099 3.6829 3.6839 4.0651 4.0654 4.2028 4.2149 4.3073 4.3073 4.9800 4.9801 5.0485 5.0492 5.7054 5.7079 7.0292 7.0368 7.2024 7.2026 7.2129 7.2198 8.0499 8.0670 8.4394 8.4557 8.4934 8.4940 10.7418 10.7418 10.8343 10.8354 12.6617 12.6621 14.5648 14.5658 18.5045 18.5048 k = 0.0000 0.0000 0.2060 ( 3540 PWs) bands (ev): -9.0900 -9.0900 -9.0897 -9.0897 -8.3229 -8.3229 0.6418 0.6418 1.3978 1.3978 1.8310 1.8310 1.9408 1.9408 2.1231 2.1231 2.1522 2.1522 2.2436 2.2436 3.1820 3.1820 3.3176 3.3176 3.5473 3.5473 3.6102 3.6102 3.6834 3.6834 4.0654 4.0654 4.2089 4.2089 4.3071 4.3071 4.9800 4.9800 5.0483 5.0483 5.7062 5.7062 7.0339 7.0339 7.2035 7.2035 7.2163 7.2163 8.0595 8.0595 8.4477 8.4477 8.4935 8.4935 10.7409 10.7409 10.8341 10.8341 12.6574 12.6574 14.5661 14.5661 18.5102 18.5102 k = 0.5000 0.2887 0.2060 ( 3508 PWs) bands (ev): -8.8770 -8.8770 -8.8100 -8.8100 -8.3265 -8.3265 0.7990 0.7990 1.4120 1.4120 1.8883 1.8883 2.0124 2.0124 2.1541 2.1541 2.3313 2.3313 2.3605 2.3605 3.1806 3.1806 3.3773 3.3773 3.5918 3.5918 3.8037 3.8037 3.8474 3.8474 4.2263 4.2263 4.3251 4.3251 4.4079 4.4079 5.2317 5.2317 5.6191 5.6191 5.9548 5.9548 6.2804 6.2804 6.7511 6.7511 7.1331 7.1331 7.5236 7.5236 8.1598 8.1598 8.4189 8.4189 11.9156 11.9156 12.5157 12.5157 13.0029 13.0029 13.9569 13.9569 14.6628 14.6628 k = 0.5000 0.2887 0.1952 ( 3512 PWs) bands (ev): -8.8800 -8.8798 -8.8066 -8.8064 -8.3270 -8.3270 0.7962 0.8039 1.3990 1.4252 1.8818 1.8942 2.0048 2.0164 2.1507 2.1576 2.2990 2.3293 2.3636 2.3947 3.1391 3.2093 3.3524 3.4103 3.5832 3.6009 3.7983 3.8116 3.8415 3.8573 4.2261 4.2275 4.3166 4.3344 4.4034 4.4135 5.2294 5.2324 5.6172 5.6195 5.9526 5.9568 6.2644 6.2839 6.7444 6.7586 7.1152 7.1539 7.5147 7.5417 8.1484 8.1657 8.4101 8.4295 11.9169 11.9179 12.5072 12.5172 12.9989 13.0138 13.9505 13.9596 14.6565 14.6660 k = 0.5000 0.2887 0.1843 ( 3510 PWs) bands (ev): -8.8875 -8.8871 -8.7977 -8.7973 -8.3287 -8.3287 0.7956 0.8111 1.3861 1.4386 1.8742 1.8999 1.9933 2.0175 2.1473 2.1610 2.2673 2.3021 2.3952 2.4312 3.0921 3.2117 3.3489 3.4440 3.5759 3.6099 3.7954 3.8223 3.8400 3.8709 4.2269 4.2298 4.3093 4.3440 4.4004 4.4201 5.2254 5.2314 5.6138 5.6184 5.9503 5.9588 6.2381 6.2748 6.7381 6.7649 7.1020 7.1769 7.5156 7.5677 8.1324 8.1653 8.4039 8.4411 11.9217 11.9238 12.4923 12.5117 13.0019 13.0304 13.9405 13.9586 14.6472 14.6659 k = 0.5000 0.2887 0.1735 ( 3512 PWs) bands (ev): -8.8972 -8.8968 -8.7854 -8.7849 -8.3314 -8.3314 0.7971 0.8204 1.3731 1.4523 1.8645 1.9054 1.9785 2.0168 2.1438 2.1638 2.2368 2.2800 2.4255 2.4691 3.0424 3.1874 3.3669 3.4756 3.5705 3.6181 3.7957 3.8333 3.8456 3.8877 4.2282 4.2333 4.3036 4.3532 4.3996 4.4278 5.2197 5.2285 5.6088 5.6158 5.9476 5.9607 6.2039 6.2544 6.7309 6.7675 7.0957 7.2021 7.5258 7.6002 8.1129 8.1589 8.4003 8.4526 11.9297 11.9331 12.4728 12.5006 13.0108 13.0511 13.9272 13.9540 14.6351 14.6627 k = 0.5000 0.2887 0.1626 ( 3512 PWs) bands (ev): -8.9078 -8.9073 -8.7712 -8.7707 -8.3352 -8.3351 0.8007 0.8320 1.3599 1.4665 1.8511 1.9106 1.9619 2.0152 2.1393 2.1655 2.2086 2.2634 2.4539 2.5075 2.9916 3.1510 3.3915 3.5033 3.5677 3.6247 3.7998 3.8396 3.8627 3.9074 4.2297 4.2381 4.2997 4.3610 4.4022 4.4365 5.2121 5.2237 5.6024 5.6118 5.9439 5.9623 6.1650 6.2252 6.7208 6.7640 7.0983 7.2299 7.5442 7.6375 8.0911 8.1472 8.3987 8.4632 11.9401 11.9453 12.4506 12.4858 13.0242 13.0740 13.9111 13.9460 14.6207 14.6566 k = 0.5000 0.2887 0.1518 ( 3506 PWs) bands (ev): -8.9184 -8.9179 -8.7559 -8.7553 -8.3400 -8.3399 0.8064 0.8457 1.3463 1.4811 1.8321 1.9152 1.9459 2.0135 2.1327 2.1628 2.1872 2.2525 2.4801 2.5456 2.9404 3.1107 3.4142 3.5255 3.5690 3.6298 3.8083 3.8450 3.8862 3.9301 4.2308 4.2442 4.2982 4.3665 4.4092 4.4463 5.2026 5.2166 5.5948 5.6065 5.9387 5.9634 6.1239 6.1904 6.7066 6.7532 7.1102 7.2602 7.5690 7.6785 8.0678 8.1316 8.3982 8.4723 11.9522 11.9598 12.4275 12.4698 13.0401 13.0973 13.8926 13.9351 14.6043 14.6479 k = 0.5000 0.2887 0.1410 ( 3514 PWs) bands (ev): -8.9288 -8.9284 -8.7397 -8.7392 -8.3459 -8.3458 0.8141 0.8615 1.3322 1.4961 1.8066 1.9189 1.9320 2.0120 2.1218 2.1503 2.1812 2.2464 2.5033 2.5827 2.8895 3.0701 3.4322 3.5390 3.5774 3.6336 3.8207 3.8510 3.9128 3.9561 4.2312 4.2514 4.2995 4.3707 4.4201 4.4574 5.1909 5.2070 5.5861 5.6002 5.9305 5.9632 6.0839 6.1531 6.6883 6.7359 7.1302 7.2923 7.5984 7.7218 8.0442 8.1135 8.3976 8.4793 11.9646 11.9754 12.4059 12.4553 13.0566 13.1191 13.8724 13.9217 14.5865 14.6369 k = 0.5000 0.2887 0.1301 ( 3518 PWs) bands (ev): -8.9388 -8.9384 -8.7231 -8.7226 -8.3528 -8.3526 0.8238 0.8794 1.3174 1.5115 1.7751 1.9197 1.9226 2.0104 2.1055 2.1387 2.1826 2.2441 2.5230 2.6181 2.8397 3.0310 3.4452 3.5441 3.5919 3.6370 3.8359 3.8577 3.9406 3.9853 4.2308 4.2591 4.3040 4.3753 4.4339 4.4698 5.1767 5.1946 5.5767 5.5927 5.9173 5.9602 6.0488 6.1165 6.6669 6.7135 7.1558 7.3251 7.6307 7.7664 8.0212 8.0946 8.3960 8.4840 11.9760 11.9905 12.3880 12.4447 13.0721 13.1378 13.8517 13.9065 14.5679 14.6239 k = 0.5000 0.2887 0.1193 ( 3504 PWs) bands (ev): -8.9482 -8.9477 -8.7060 -8.7055 -8.3606 -8.3604 0.8353 0.8994 1.3019 1.5271 1.7393 1.9109 1.9236 2.0068 2.0891 2.1313 2.1860 2.2445 2.5381 2.6506 2.7919 2.9947 3.4544 3.5450 3.6072 3.6413 3.8526 3.8648 3.9687 4.0168 4.2298 4.2660 4.3126 4.3822 4.4495 4.4835 5.1598 5.1789 5.5669 5.5845 5.8971 5.9510 6.0233 6.0839 6.6434 6.6881 7.1850 7.3575 7.6643 7.8111 7.9999 8.0763 8.3929 8.4860 11.9848 12.0033 12.3765 12.4404 13.0849 13.1519 13.8314 13.8905 14.5488 14.6093 k = 0.5000 0.2887 0.1084 ( 3508 PWs) bands (ev): -8.9569 -8.9565 -8.6887 -8.6882 -8.3693 -8.3691 0.8486 0.9213 1.2856 1.5423 1.7012 1.9027 1.9239 1.9979 2.0788 2.1266 2.1904 2.2470 2.5479 2.6760 2.7502 2.9624 3.4611 3.5439 3.6195 3.6477 3.8688 3.8726 3.9966 4.0488 4.2286 4.2709 4.3262 4.3924 4.4663 4.4984 5.1397 5.1598 5.5570 5.5755 5.8699 5.9323 6.0098 6.0585 6.6189 6.6610 7.2157 7.3880 7.6974 7.8542 7.9819 8.0606 8.3877 8.4852 11.9899 12.0117 12.3739 12.4440 13.0936 13.1598 13.8127 13.8743 14.5299 14.5935 k = 0.5000 0.2887 0.0976 ( 3512 PWs) bands (ev): -8.9649 -8.9646 -8.6713 -8.6708 -8.3789 -8.3787 0.8635 0.9450 1.2684 1.5557 1.6635 1.8951 1.9230 1.9826 2.0770 2.1239 2.1957 2.2512 2.5513 2.6731 2.7359 2.9351 3.4663 3.5417 3.6278 3.6569 3.8791 3.8854 4.0240 4.0792 4.2274 4.2732 4.3455 4.4068 4.4843 4.5146 5.1163 5.1369 5.5474 5.5661 5.8387 5.9054 6.0047 6.0414 6.5945 6.6335 7.2466 7.4155 7.7285 7.8921 7.9699 8.0503 8.3802 8.4813 11.9905 12.0142 12.3820 12.4566 13.0968 13.1603 13.7968 13.8590 14.5117 14.5769 k = 0.5000 0.2887 0.0867 ( 3508 PWs) bands (ev): -8.9722 -8.9719 -8.6538 -8.6533 -8.3892 -8.3890 0.8800 0.9704 1.2504 1.5608 1.6335 1.8881 1.9206 1.9633 2.0813 2.1231 2.2021 2.2570 2.5476 2.6376 2.7533 2.9136 3.4708 3.5386 3.6336 3.6669 3.8870 3.8991 4.0503 4.1063 4.2265 4.2732 4.3700 4.4254 4.5032 4.5319 5.0894 5.1101 5.5384 5.5564 5.8070 5.8743 6.0038 6.0311 6.5710 6.6066 7.2767 7.4389 7.7556 7.9156 7.9708 8.0500 8.3700 8.4745 11.9870 12.0106 12.4011 12.4781 13.0934 13.1529 13.7845 13.8453 14.4946 14.5597 k = 0.5000 0.2887 0.0759 ( 3494 PWs) bands (ev): -8.9787 -8.9784 -8.6364 -8.6359 -8.4003 -8.4001 0.8980 0.9971 1.2319 1.5433 1.6262 1.8814 1.9163 1.9432 2.0888 2.1241 2.2098 2.2646 2.5363 2.5974 2.7749 2.8980 3.4750 3.5351 3.6387 3.6759 3.8947 3.9109 4.0748 4.1289 4.2262 4.2714 4.3991 4.4475 4.5232 4.5506 5.0587 5.0794 5.5302 5.5469 5.7774 5.8422 6.0045 6.0252 6.5491 6.5811 7.3053 7.4572 7.7772 7.9181 7.9877 8.0644 8.3572 8.4646 11.9802 12.0023 12.4302 12.5075 13.0825 13.1373 13.7763 13.8339 14.4792 14.5424 k = 0.5000 0.2887 0.0651 ( 3490 PWs) bands (ev): -8.9843 -8.9841 -8.6192 -8.6187 -8.4120 -8.4118 0.9172 1.0247 1.2133 1.5078 1.6372 1.8742 1.9083 1.9266 2.0975 2.1264 2.2194 2.2740 2.5176 2.5590 2.7952 2.8875 3.4791 3.5312 3.6440 3.6830 3.9024 3.9206 4.0970 4.1468 4.2266 4.2684 4.4311 4.4717 4.5448 4.5711 5.0244 5.0452 5.5231 5.5376 5.7513 5.8112 6.0060 6.0219 6.5294 6.5574 7.3320 7.4701 7.7933 7.9113 8.0099 8.0925 8.3418 8.4516 11.9715 11.9909 12.4672 12.5434 13.0638 13.1142 13.7722 13.8248 14.4659 14.5252 k = 0.5000 0.2887 0.0542 ( 3486 PWs) bands (ev): -8.9891 -8.9889 -8.6023 -8.6019 -8.4241 -8.4239 0.9376 1.0519 1.1959 1.4670 1.6544 1.8640 1.8968 1.9165 2.1062 2.1293 2.2313 2.2856 2.4916 2.5245 2.8130 2.8810 3.4833 3.5270 3.6498 3.6878 3.9099 3.9281 4.1166 4.1600 4.2277 4.2645 4.4640 4.4957 4.5689 4.5944 4.9867 5.0077 5.5170 5.5291 5.7296 5.7826 6.0079 6.0200 6.5123 6.5362 7.3565 7.4773 7.8053 7.9018 8.0354 8.1278 8.3237 8.4356 11.9621 11.9784 12.5102 12.5841 13.0374 13.0846 13.7716 13.8179 14.4551 14.5085 k = 0.5000 0.2887 0.0434 ( 3496 PWs) bands (ev): -8.9931 -8.9929 -8.5861 -8.5858 -8.4365 -8.4362 0.9589 1.0755 1.1829 1.4250 1.6738 1.8481 1.8887 1.9097 2.1143 2.1322 2.2459 2.2995 2.4605 2.4937 2.8282 2.8771 3.4875 3.5227 3.6560 3.6903 3.9170 3.9335 4.1334 4.1690 4.2295 4.2603 4.4943 4.5170 4.5969 4.6220 4.9463 4.9675 5.5121 5.5216 5.7128 5.7572 6.0098 6.0190 6.4984 6.5178 7.3789 7.4791 7.8152 7.8916 8.0643 8.1649 8.3035 8.4165 11.9532 11.9662 12.5572 12.6275 13.0045 13.0500 13.7737 13.8125 14.4471 14.4928 k = 0.5000 0.2887 0.0325 ( 3496 PWs) bands (ev): -8.9962 -8.9961 -8.5710 -8.5706 -8.4486 -8.4483 0.9810 1.0881 1.1819 1.3830 1.6945 1.8278 1.8853 1.9038 2.1213 2.1345 2.2633 2.3158 2.4279 2.4648 2.8408 2.8744 3.4919 3.5184 3.6624 3.6906 3.9234 3.9370 4.1474 4.1743 4.2321 4.2558 4.5190 4.5337 4.6298 4.6548 4.9038 4.9253 5.5084 5.5154 5.7011 5.7355 6.0116 6.0183 6.4878 6.5026 7.3992 7.4763 7.8242 7.8812 8.0955 8.2005 8.2821 8.3946 11.9457 11.9554 12.6063 12.6713 12.9674 13.0118 13.7779 13.8080 14.4423 14.4784 k = 0.5000 0.2887 0.0217 ( 3498 PWs) bands (ev): -8.9984 -8.9983 -8.5577 -8.5574 -8.4597 -8.4595 1.0034 1.0836 1.1991 1.3417 1.7160 1.8057 1.8849 1.8983 2.1270 2.1358 2.2837 2.3339 2.3967 2.4370 2.8509 2.8720 3.4963 3.5140 3.6690 3.6889 3.9290 3.9386 4.1585 4.1766 4.2352 4.2512 4.5365 4.5451 4.6674 4.6914 4.8608 4.8821 5.5060 5.5105 5.6946 5.7180 6.0133 6.0176 6.4808 6.4908 7.4174 7.4697 7.8332 7.8711 8.1275 8.2263 8.2670 8.3699 11.9404 11.9468 12.6554 12.7111 12.9309 12.9720 13.7831 13.8038 14.4407 14.4657 k = 0.5000 0.2887 0.0108 ( 3500 PWs) bands (ev): -8.9997 -8.9997 -8.5478 -8.5477 -8.4681 -8.4680 1.0259 1.0680 1.2284 1.3017 1.7380 1.7831 1.8864 1.8934 2.1314 2.1357 2.3066 2.3476 2.3741 2.4103 2.8588 2.8690 3.5007 3.5096 3.6753 3.6856 3.9335 3.9385 4.1670 4.1760 4.2387 4.2468 4.5472 4.5512 4.7068 4.7270 4.8215 4.8402 5.5049 5.5072 5.6931 5.7050 6.0148 6.0169 6.4776 6.4826 7.4336 7.4601 7.8424 7.8613 8.1592 8.2162 8.2839 8.3427 11.9376 11.9408 12.7004 12.7368 12.9053 12.9342 13.7887 13.7992 14.4425 14.4553 k = 0.5000 0.2887-0.0000 ( 3496 PWs) bands (ev): -9.0001 -9.0001 -8.5439 -8.5439 -8.4714 -8.4714 1.0478 1.0478 1.2636 1.2636 1.7605 1.7605 1.8894 1.8894 2.1343 2.1343 2.3311 2.3311 2.3861 2.3861 2.8647 2.8647 3.5051 3.5051 3.6809 3.6809 3.9367 3.9367 4.1728 4.1728 4.2426 4.2426 4.5519 4.5519 4.7378 4.7378 4.8089 4.8089 5.5053 5.5053 5.6966 5.6966 6.0160 6.0160 6.4782 6.4782 7.4479 7.4479 7.8517 7.8517 8.1895 8.1895 8.3135 8.3135 11.9377 11.9377 12.7328 12.7328 12.9068 12.9068 13.7942 13.7942 14.4474 14.4474 k = 0.3333 0.5774-0.0000 ( 3492 PWs) bands (ev): -8.9555 -8.9555 -8.5048 -8.5001 -8.5001 -8.4956 1.0610 1.0610 1.2062 1.3396 1.9306 1.9306 2.0645 2.0645 2.1306 2.1781 2.3667 2.3667 2.4358 2.5371 2.6619 2.6619 3.3938 3.3938 3.6793 3.6793 3.8653 3.8653 4.0299 4.0410 4.2368 4.2406 4.2406 4.3008 4.4172 4.4172 5.7009 5.7009 5.7869 5.7869 5.8008 5.8200 6.0862 6.0862 6.5069 6.5868 6.5868 6.6184 7.6845 7.6845 8.0256 8.1203 8.1203 8.1750 13.1819 13.1819 13.3277 13.3673 13.4272 13.4272 14.3973 14.3973 14.4940 14.4940 k = 0.3333 0.5774 0.0108 ( 3486 PWs) bands (ev): -8.9551 -8.9550 -8.5165 -8.5157 -8.4848 -8.4842 1.0380 1.0850 1.1980 1.3488 1.9211 1.9393 2.0542 2.0751 2.1282 2.1802 2.3495 2.3825 2.4347 2.5401 2.6540 2.6714 3.3923 3.3959 3.6640 3.6906 3.8638 3.8673 4.0267 4.0398 4.2315 4.2386 4.2455 4.3014 4.4059 4.4320 5.6873 5.7119 5.7770 5.7996 5.8037 5.8212 6.0867 6.0867 6.5075 6.5830 6.5927 6.6197 7.6824 7.6828 8.0111 8.0775 8.1616 8.1875 13.1787 13.1860 13.3275 13.3681 13.4211 13.4330 14.3801 14.4121 14.4746 14.5169 k = 0.3333 0.5774 0.0217 ( 3486 PWs) bands (ev): -8.9538 -8.9537 -8.5323 -8.5318 -8.4700 -8.4697 1.0158 1.1097 1.1779 1.3716 1.9107 1.9473 2.0444 2.0856 2.1221 2.1852 2.3314 2.3964 2.4316 2.5488 2.6471 2.6830 3.3916 3.3986 3.6463 3.6965 3.8638 3.8684 4.0179 4.0356 4.2203 4.2436 4.2447 4.3032 4.3999 4.4483 5.6737 5.7159 5.7776 5.7969 5.8241 5.8251 6.0877 6.0890 6.5094 6.5816 6.6002 6.6235 7.6765 7.6773 7.9765 8.0334 8.2013 8.2161 13.1764 13.1909 13.3268 13.3703 13.4147 13.4385 14.3615 14.4241 14.4580 14.5435 k = 0.3333 0.5774 0.0325 ( 3489 PWs) bands (ev): -8.9517 -8.9516 -8.5486 -8.5481 -8.4557 -8.4556 0.9948 1.1350 1.1526 1.4015 1.8992 1.9547 2.0354 2.0958 2.1141 2.1917 2.3130 2.4080 2.4274 2.5623 2.6405 2.6974 3.3917 3.4018 3.6276 3.6960 3.8651 3.8673 4.0046 4.0285 4.2090 4.2384 4.2509 4.3063 4.3995 4.4645 5.6613 5.7127 5.7881 5.7935 5.8277 5.8501 6.0886 6.0937 6.5126 6.5828 6.6092 6.6296 7.6668 7.6682 7.9325 7.9883 8.2392 8.2501 13.1751 13.1966 13.3257 13.3736 13.4079 13.4436 14.3424 14.4335 14.4433 14.5736 k = 0.3333 0.5774 0.0434 ( 3489 PWs) bands (ev): -8.9487 -8.9485 -8.5652 -8.5648 -8.4420 -8.4419 0.9748 1.1254 1.1610 1.4349 1.8865 1.9616 2.0273 2.1053 2.1053 2.1984 2.2947 2.4168 2.4226 2.5798 2.6336 2.7148 3.3927 3.4051 3.6092 3.6896 3.8627 3.8666 3.9878 4.0187 4.1996 4.2287 4.2592 4.3108 4.4036 4.4795 5.6505 5.7067 5.7900 5.8031 5.8313 5.8781 6.0893 6.1020 6.5172 6.5868 6.6194 6.6381 7.6534 7.6554 7.8837 7.9423 8.2753 8.2850 13.1748 13.2030 13.3245 13.3780 13.4009 13.4485 14.3238 14.4296 14.4407 14.6074 k = 0.3333 0.5774 0.0542 ( 3489 PWs) bands (ev): -8.9448 -8.9446 -8.5820 -8.5816 -8.4290 -8.4289 0.9560 1.0981 1.1874 1.4702 1.8726 1.9680 2.0203 2.0963 2.1139 2.2047 2.2772 2.4179 2.4230 2.6009 2.6262 2.7354 3.3944 3.4081 3.5922 3.6780 3.8536 3.8664 3.9684 4.0063 4.1937 4.2184 4.2673 4.3167 4.4103 4.4926 5.6416 5.7007 5.7867 5.8187 5.8347 5.9088 6.0896 6.1147 6.5231 6.5937 6.6304 6.6487 7.6364 7.6392 7.8320 7.8957 8.3094 8.3190 13.1756 13.2098 13.3233 13.3832 13.3935 13.4529 14.3062 14.4166 14.4461 14.6212 k = 0.3333 0.5774 0.0651 ( 3489 PWs) bands (ev): -8.9401 -8.9399 -8.5990 -8.5986 -8.4166 -8.4165 0.9385 1.0713 1.2142 1.5067 1.8574 1.9739 2.0144 2.0876 2.1210 2.2105 2.2609 2.4136 2.4267 2.6178 2.6251 2.7591 3.3968 3.4102 3.5776 3.6623 3.8397 3.8627 3.9472 3.9918 4.1925 4.2095 4.2745 4.3242 4.4181 4.5034 5.6345 5.6957 5.7835 5.8327 5.8375 5.9415 6.0896 6.1324 6.5303 6.6037 6.6421 6.6614 7.6159 7.6198 7.7783 7.8488 8.3415 8.3514 13.1773 13.2171 13.3221 13.3858 13.3890 13.4570 14.2900 14.4039 14.4500 14.6041 k = 0.3333 0.5774 0.0759 ( 3504 PWs) bands (ev): -8.9347 -8.9344 -8.6161 -8.6157 -8.4049 -8.4048 0.9224 1.0454 1.2412 1.5439 1.8411 1.9792 2.0097 2.0794 2.1263 2.2155 2.2464 2.4096 2.4282 2.6081 2.6520 2.7856 3.3999 3.4108 3.5663 3.6435 3.8211 3.8545 3.9245 3.9755 4.1966 4.2034 4.2801 4.3331 4.4260 4.5118 5.6291 5.6920 5.7806 5.8398 5.8442 5.9754 6.0900 6.1557 6.5387 6.6165 6.6543 6.6760 7.5923 7.5973 7.7233 7.8019 8.3715 8.3818 13.1799 13.2246 13.3210 13.3777 13.3952 13.4607 14.2755 14.3914 14.4527 14.5874 k = 0.3333 0.5774 0.0867 ( 3507 PWs) bands (ev): -8.9283 -8.9280 -8.6332 -8.6328 -8.3940 -8.3939 0.9077 1.0207 1.2685 1.5813 1.8237 1.9839 2.0059 2.0719 2.1290 2.2197 2.2345 2.4063 2.4278 2.5970 2.6816 2.8147 3.4036 3.4088 3.5591 3.6220 3.7988 3.8420 3.9010 3.9575 4.2003 4.2056 4.2841 4.3432 4.4334 4.5176 5.6252 5.6897 5.7778 5.8415 5.8528 6.0082 6.0925 6.1843 6.5479 6.6321 6.6669 6.6926 7.5658 7.5720 7.6674 7.7553 8.3992 8.4098 13.1835 13.2324 13.3201 13.3695 13.4018 13.4641 14.2627 14.3791 14.4545 14.5715 k = 0.3333 0.5774 0.0976 ( 3507 PWs) bands (ev): -8.9212 -8.9209 -8.6503 -8.6499 -8.3839 -8.3838 0.8945 0.9973 1.2958 1.6188 1.8054 1.9878 2.0031 2.0653 2.1286 2.2232 2.2258 2.4036 2.4261 2.5845 2.7136 2.8460 3.4036 3.4076 3.5565 3.5984 3.7740 3.8259 3.8769 3.9383 4.2002 4.2188 4.2866 4.3539 4.4399 4.5210 5.6227 5.6887 5.7751 5.8426 5.8587 6.0345 6.1023 6.2177 6.5574 6.6500 6.6797 6.7110 7.5370 7.5442 7.6111 7.7095 8.4248 8.4355 13.1880 13.2402 13.3192 13.3609 13.4085 13.4670 14.2516 14.3671 14.4556 14.5565 k = 0.3333 0.5774 0.1084 ( 3507 PWs) bands (ev): -8.9133 -8.9129 -8.6674 -8.6669 -8.3746 -8.3745 0.8828 0.9754 1.3231 1.6559 1.7863 1.9908 2.0011 2.0596 2.1249 2.2206 2.2259 2.4015 2.4232 2.5705 2.7478 2.8792 3.3945 3.4117 3.5583 3.5732 3.7486 3.8073 3.8526 3.9179 4.2024 4.2349 4.2878 4.3648 4.4454 4.5220 5.6212 5.6891 5.7723 5.8433 5.8623 6.0475 6.1257 6.2549 6.5669 6.6698 6.6927 6.7311 7.5063 7.5143 7.5549 7.6647 8.4482 8.4588 13.1933 13.2480 13.3183 13.3522 13.4154 13.4694 14.2424 14.3554 14.4562 14.5425 k = 0.3333 0.5774 0.1193 ( 3507 PWs) bands (ev): -8.9046 -8.9042 -8.6844 -8.6839 -8.3662 -8.3661 0.8728 0.9551 1.3502 1.6926 1.7665 1.9925 1.9998 2.0549 2.1186 2.2183 2.2279 2.4003 2.4197 2.5553 2.7840 2.9140 3.3810 3.4153 3.5470 3.5639 3.7245 3.7875 3.8282 3.8967 4.2065 4.2529 4.2880 4.3756 4.4496 4.5208 5.6207 5.6906 5.7693 5.8437 5.8640 6.0502 6.1594 6.2949 6.5759 6.6910 6.7060 6.7525 7.4746 7.4825 7.4995 7.6212 8.4692 8.4794 13.1994 13.2556 13.3174 13.3432 13.4223 13.4714 14.2348 14.3441 14.4565 14.5297 k = 0.3333 0.5774 0.1301 ( 3513 PWs) bands (ev): -8.8952 -8.8948 -8.7012 -8.7007 -8.3587 -8.3586 0.8643 0.9364 1.3770 1.7283 1.7461 1.9928 1.9991 2.0513 2.1105 2.2181 2.2293 2.4000 2.4159 2.5392 2.8220 2.9500 3.3630 3.4170 3.5211 3.5725 3.7036 3.7674 3.8041 3.8749 4.2119 4.2720 4.2872 4.3861 4.4527 4.5177 5.6208 5.6931 5.7659 5.8440 5.8643 6.0487 6.1967 6.3365 6.5838 6.7129 6.7198 6.7749 7.4428 7.4455 7.4494 7.5794 8.4879 8.4976 13.2061 13.2629 13.3164 13.3340 13.4290 13.4728 14.2288 14.3334 14.4566 14.5179 k = 0.3333 0.5774 0.1410 ( 3504 PWs) bands (ev): -8.8850 -8.8846 -8.7178 -8.7172 -8.3522 -8.3521 0.8577 0.9194 1.4035 1.7254 1.7630 1.9913 1.9988 2.0488 2.1016 2.2191 2.2302 2.4006 2.4119 2.5224 2.8617 2.9869 3.3400 3.4143 3.4983 3.5833 3.6878 3.7480 3.7805 3.8526 4.2182 4.2854 4.2913 4.3961 4.4546 4.5128 5.6215 5.6966 5.7621 5.8444 5.8637 6.0456 6.2343 6.3786 6.5903 6.7342 6.7346 6.7974 7.3941 7.4122 7.4155 7.5397 8.5044 8.5131 13.2135 13.2700 13.3153 13.3246 13.4356 13.4737 14.2242 14.3234 14.4568 14.5073 k = 0.3333 0.5774 0.1518 ( 3507 PWs) bands (ev): -8.8742 -8.8737 -8.7341 -8.7336 -8.3466 -8.3465 0.8527 0.9041 1.4292 1.7045 1.7962 1.9878 1.9987 2.0475 2.0926 2.2207 2.2306 2.4023 2.4081 2.5055 2.9028 3.0245 3.3122 3.4026 3.4829 3.5953 3.6782 3.7301 3.7576 3.8301 4.2251 4.2828 4.3102 4.4056 4.4552 4.5066 5.6224 5.7008 5.7577 5.8449 5.8624 6.0421 6.2701 6.4199 6.5948 6.7496 6.7553 6.8188 7.3467 7.3813 7.3841 7.5026 8.5185 8.5261 13.2214 13.2765 13.3140 13.3151 13.4418 13.4740 14.2210 14.3143 14.4572 14.4979 k = 0.3333 0.5774 0.1626 ( 3507 PWs) bands (ev): -8.8627 -8.8622 -8.7502 -8.7496 -8.3420 -8.3419 0.8496 0.8907 1.4539 1.6837 1.8276 1.9817 1.9989 2.0474 2.0841 2.2224 2.2306 2.4047 2.4054 2.4888 2.9450 3.0623 3.2797 3.3803 3.4768 3.6079 3.6756 3.7142 3.7356 3.8075 4.2322 4.2795 4.3280 4.4144 4.4547 4.4993 5.6233 5.7057 5.7529 5.8457 5.8606 6.0387 6.3026 6.4591 6.5968 6.7663 6.7739 6.8372 7.3054 7.3478 7.3599 7.4689 8.5302 8.5366 13.2297 13.2827 13.3055 13.3124 13.4476 13.4737 14.2189 14.3063 14.4579 14.4895 k = 0.3333 0.5774 0.1735 ( 3507 PWs) bands (ev): -8.8505 -8.8501 -8.7659 -8.7652 -8.3384 -8.3383 0.8482 0.8790 1.4771 1.6637 1.8568 1.9730 1.9991 2.0484 2.0762 2.2241 2.2303 2.4018 2.4098 2.4729 2.9881 3.0997 3.2433 3.3514 3.4763 3.6204 3.6799 3.7009 3.7148 3.7852 4.2393 4.2754 4.3440 4.4225 4.4531 4.4917 5.6243 5.7112 5.7475 5.8468 5.8585 6.0358 6.3303 6.4946 6.5960 6.7845 6.7896 6.8503 7.2726 7.3160 7.3409 7.4397 8.5395 8.5444 13.2383 13.2882 13.2959 13.3104 13.4530 13.4727 14.2177 14.2996 14.4591 14.4823 k = 0.3333 0.5774 0.1843 ( 3504 PWs) bands (ev): -8.8377 -8.8374 -8.7812 -8.7805 -8.3358 -8.3357 0.8487 0.8693 1.4975 1.6455 1.8836 1.9613 1.9994 2.0505 2.0692 2.2257 2.2298 2.3997 2.4159 2.4581 3.0318 3.1353 3.2040 3.3203 3.4778 3.6330 3.6902 3.6909 3.6953 3.7634 4.2463 4.2706 4.3571 4.4298 4.4504 4.4847 5.6250 5.7170 5.7417 5.8482 5.8563 6.0336 6.3515 6.5253 6.5916 6.8013 6.8039 6.8558 7.2513 7.2873 7.3278 7.4163 8.5465 8.5498 13.2472 13.2864 13.2933 13.3080 13.4579 13.4710 14.2170 14.2946 14.4609 14.4761 k = 0.3333 0.5774 0.1952 ( 3510 PWs) bands (ev): -8.8244 -8.8242 -8.7961 -8.7952 -8.3342 -8.3342 0.8510 0.8613 1.5128 1.6316 1.9076 1.9466 1.9995 2.0536 2.0631 2.2270 2.2291 2.3984 2.4237 2.4449 3.0757 3.1624 3.1655 3.2924 3.4793 3.6463 3.6773 3.6847 3.7049 3.7424 4.2530 4.2653 4.3659 4.4363 4.4466 4.4795 5.6255 5.7232 5.7356 5.8500 5.8541 6.0322 6.3649 6.5504 6.5830 6.8085 6.8234 6.8523 7.2432 7.2638 7.3205 7.4009 8.5510 8.5527 13.2561 13.2771 13.2978 13.3051 13.4621 13.4687 14.2168 14.2915 14.4635 14.4710 k = 0.3333 0.5774 0.2060 ( 3510 PWs) bands (ev): -8.8131 -8.8105 -8.8105 -8.8067 -8.3337 -8.3337 0.8552 0.8552 1.5187 1.6261 1.9286 1.9286 1.9996 2.0579 2.0579 2.2281 2.2281 2.3979 2.4334 2.4334 3.1194 3.1194 3.1794 3.2792 3.4799 3.6610 3.6610 3.6826 3.7227 3.7227 4.2594 4.2594 4.3691 4.4419 4.4419 4.4775 5.6257 5.7294 5.7294 5.8519 5.8519 6.0318 6.3695 6.5695 6.5695 6.8109 6.8406 6.8406 7.2481 7.2481 7.3182 7.3955 8.5531 8.5531 13.2621 13.2710 13.3017 13.3017 13.4657 13.4657 14.2167 14.2904 14.4668 14.4668 Writing output data file HgO.save init_run : 0.42s CPU 0.58s WALL ( 1 calls) electrons : 652.47s CPU 656.96s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.03s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 652.46s CPU 656.94s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.02s WALL ( 1 calls) newd : 0.15s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 346 calls) cegterg : 632.52s CPU 636.75s WALL ( 1019 calls) Called by sum_band: Called by *egterg: h_psi : 333.88s CPU 344.23s WALL ( 18577 calls) s_psi : 25.84s CPU 26.05s WALL ( 18577 calls) g_psi : 0.80s CPU 0.87s WALL ( 17212 calls) cdiaghg : 206.58s CPU 202.17s WALL ( 17558 calls) cegterg:over : 38.89s CPU 34.88s WALL ( 17212 calls) cegterg:upda : 5.72s CPU 9.34s WALL ( 17212 calls) cegterg:last : 6.13s CPU 7.44s WALL ( 3355 calls) Called by h_psi: h_psi:vloc : 301.24s CPU 308.59s WALL ( 18577 calls) h_psi:vnl : 32.54s CPU 35.15s WALL ( 18577 calls) add_vuspsi : 12.29s CPU 16.58s WALL ( 18577 calls) General routines calbec : 20.23s CPU 18.53s WALL ( 18577 calls) fft : 0.02s CPU 0.04s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 293.71s CPU 293.31s WALL ( 2544736 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.02s CPU 0.11s WALL ( 692 calls) Parallel routines fft_scatter : 239.39s CPU 187.62s WALL ( 2544759 calls) PWSCF : 11m17.65s CPU 11m30.75s WALL This run was terminated on: 14:50:24 27Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=