Program PWSCF v.5.1.1 starts on 27Jul2015 at 14:24:32 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 2898 869 139 Max 41 19 6 2915 901 150 Sum 1303 595 169 92849 28229 4539 bravais-lattice index = 14 lattice parameter (alat) = 6.7595 a.u. unit-cell volume = 649.1346 (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)= 6.759550 celldm(2)= 1.000000 celldm(3)= 2.426894 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 2.426894 ) 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 0.412049 ) 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 ) ( 0.8089647 ) 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 ) ( -0.8089647 ) 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 ) ( 0.8089647 ) 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 ) ( -0.8089647 ) 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 0.0108434), wk = 0.0028902 k( 146) = ( 0.0000000 0.0000000 0.0216868), wk = 0.0028902 k( 147) = ( 0.0000000 0.0000000 0.0325302), wk = 0.0028902 k( 148) = ( 0.0000000 0.0000000 0.0433736), wk = 0.0028902 k( 149) = ( 0.0000000 0.0000000 0.0542170), wk = 0.0028902 k( 150) = ( 0.0000000 0.0000000 0.0650604), wk = 0.0028902 k( 151) = ( 0.0000000 0.0000000 0.0759038), wk = 0.0028902 k( 152) = ( 0.0000000 0.0000000 0.0867472), wk = 0.0028902 k( 153) = ( 0.0000000 0.0000000 0.0975906), wk = 0.0028902 k( 154) = ( 0.0000000 0.0000000 0.1084340), wk = 0.0028902 k( 155) = ( 0.0000000 0.0000000 0.1192774), wk = 0.0028902 k( 156) = ( 0.0000000 0.0000000 0.1301208), wk = 0.0028902 k( 157) = ( 0.0000000 0.0000000 0.1409642), wk = 0.0028902 k( 158) = ( 0.0000000 0.0000000 0.1518076), wk = 0.0028902 k( 159) = ( 0.0000000 0.0000000 0.1626510), wk = 0.0028902 k( 160) = ( 0.0000000 0.0000000 0.1734944), wk = 0.0028902 k( 161) = ( 0.0000000 0.0000000 0.1843378), wk = 0.0028902 k( 162) = ( 0.0000000 0.0000000 0.1951812), wk = 0.0028902 k( 163) = ( 0.0000000 0.0000000 0.2060247), wk = 0.0028902 k( 164) = ( 0.0000000 0.0000000 0.2060247), wk = 0.0028902 k( 165) = ( 0.0098039 0.0056603 0.2060247), wk = 0.0028902 k( 166) = ( 0.0196078 0.0113206 0.2060247), wk = 0.0028902 k( 167) = ( 0.0294118 0.0169809 0.2060247), wk = 0.0028902 k( 168) = ( 0.0392157 0.0226412 0.2060247), wk = 0.0028902 k( 169) = ( 0.0490196 0.0283015 0.2060247), wk = 0.0028902 k( 170) = ( 0.0588235 0.0339618 0.2060247), wk = 0.0028902 k( 171) = ( 0.0686275 0.0396221 0.2060247), wk = 0.0028902 k( 172) = ( 0.0784314 0.0452824 0.2060247), wk = 0.0028902 k( 173) = ( 0.0882353 0.0509427 0.2060247), wk = 0.0028902 k( 174) = ( 0.0980392 0.0566030 0.2060247), wk = 0.0028902 k( 175) = ( 0.1078431 0.0622633 0.2060247), wk = 0.0028902 k( 176) = ( 0.1176471 0.0679236 0.2060247), wk = 0.0028902 k( 177) = ( 0.1274510 0.0735839 0.2060247), wk = 0.0028902 k( 178) = ( 0.1372549 0.0792442 0.2060247), wk = 0.0028902 k( 179) = ( 0.1470588 0.0849044 0.2060247), wk = 0.0028902 k( 180) = ( 0.1568627 0.0905648 0.2060247), wk = 0.0028902 k( 181) = ( 0.1666667 0.0962250 0.2060247), wk = 0.0028902 k( 182) = ( 0.1764706 0.1018853 0.2060247), wk = 0.0028902 k( 183) = ( 0.1862745 0.1075456 0.2060247), wk = 0.0028902 k( 184) = ( 0.1960784 0.1132059 0.2060247), wk = 0.0028902 k( 185) = ( 0.2058823 0.1188662 0.2060247), wk = 0.0028902 k( 186) = ( 0.2156863 0.1245265 0.2060247), wk = 0.0028902 k( 187) = ( 0.2254902 0.1301868 0.2060247), wk = 0.0028902 k( 188) = ( 0.2352941 0.1358471 0.2060247), wk = 0.0028902 k( 189) = ( 0.2450980 0.1415074 0.2060247), wk = 0.0028902 k( 190) = ( 0.2549020 0.1471677 0.2060247), wk = 0.0028902 k( 191) = ( 0.2647059 0.1528280 0.2060247), wk = 0.0028902 k( 192) = ( 0.2745098 0.1584883 0.2060247), wk = 0.0028902 k( 193) = ( 0.2843137 0.1641486 0.2060247), wk = 0.0028902 k( 194) = ( 0.2941177 0.1698089 0.2060247), wk = 0.0028902 k( 195) = ( 0.3039216 0.1754692 0.2060247), wk = 0.0028902 k( 196) = ( 0.3137255 0.1811295 0.2060247), wk = 0.0028902 k( 197) = ( 0.3235294 0.1867898 0.2060247), wk = 0.0028902 k( 198) = ( 0.3333333 0.1924501 0.2060247), wk = 0.0028902 k( 199) = ( 0.3431373 0.1981104 0.2060247), wk = 0.0028902 k( 200) = ( 0.3529412 0.2037707 0.2060247), wk = 0.0028902 k( 201) = ( 0.3627451 0.2094310 0.2060247), wk = 0.0028902 k( 202) = ( 0.3725490 0.2150913 0.2060247), wk = 0.0028902 k( 203) = ( 0.3823529 0.2207516 0.2060247), wk = 0.0028902 k( 204) = ( 0.3921569 0.2264119 0.2060247), wk = 0.0028902 k( 205) = ( 0.4019608 0.2320722 0.2060247), wk = 0.0028902 k( 206) = ( 0.4117647 0.2377325 0.2060247), wk = 0.0028902 k( 207) = ( 0.4215686 0.2433928 0.2060247), wk = 0.0028902 k( 208) = ( 0.4313726 0.2490531 0.2060247), wk = 0.0028902 k( 209) = ( 0.4411765 0.2547134 0.2060247), wk = 0.0028902 k( 210) = ( 0.4509804 0.2603736 0.2060247), wk = 0.0028902 k( 211) = ( 0.4607843 0.2660339 0.2060247), wk = 0.0028902 k( 212) = ( 0.4705882 0.2716942 0.2060247), wk = 0.0028902 k( 213) = ( 0.4803922 0.2773545 0.2060247), wk = 0.0028902 k( 214) = ( 0.4901961 0.2830148 0.2060247), wk = 0.0028902 k( 215) = ( 0.5000000 0.2886751 0.2060247), wk = 0.0028902 k( 216) = ( 0.5000000 0.2886751 0.2060247), wk = 0.0028902 k( 217) = ( 0.4944444 0.2982976 0.2060247), wk = 0.0028902 k( 218) = ( 0.4888889 0.3079201 0.2060247), wk = 0.0028902 k( 219) = ( 0.4833333 0.3175426 0.2060247), wk = 0.0028902 k( 220) = ( 0.4777778 0.3271651 0.2060247), wk = 0.0028902 k( 221) = ( 0.4722222 0.3367877 0.2060247), wk = 0.0028902 k( 222) = ( 0.4666667 0.3464102 0.2060247), wk = 0.0028902 k( 223) = ( 0.4611111 0.3560327 0.2060247), wk = 0.0028902 k( 224) = ( 0.4555556 0.3656552 0.2060247), wk = 0.0028902 k( 225) = ( 0.4500000 0.3752777 0.2060247), wk = 0.0028902 k( 226) = ( 0.4444444 0.3849002 0.2060247), wk = 0.0028902 k( 227) = ( 0.4388889 0.3945227 0.2060247), wk = 0.0028902 k( 228) = ( 0.4333333 0.4041452 0.2060247), wk = 0.0028902 k( 229) = ( 0.4277778 0.4137677 0.2060247), wk = 0.0028902 k( 230) = ( 0.4222222 0.4233902 0.2060247), wk = 0.0028902 k( 231) = ( 0.4166667 0.4330127 0.2060247), wk = 0.0028902 k( 232) = ( 0.4111111 0.4426352 0.2060247), wk = 0.0028902 k( 233) = ( 0.4055556 0.4522577 0.2060247), wk = 0.0028902 k( 234) = ( 0.4000000 0.4618802 0.2060247), wk = 0.0028902 k( 235) = ( 0.3944444 0.4715027 0.2060247), wk = 0.0028902 k( 236) = ( 0.3888889 0.4811252 0.2060247), wk = 0.0028902 k( 237) = ( 0.3833333 0.4907477 0.2060247), wk = 0.0028902 k( 238) = ( 0.3777778 0.5003702 0.2060247), wk = 0.0028902 k( 239) = ( 0.3722222 0.5099927 0.2060247), wk = 0.0028902 k( 240) = ( 0.3666667 0.5196152 0.2060247), wk = 0.0028902 k( 241) = ( 0.3611111 0.5292377 0.2060247), wk = 0.0028902 k( 242) = ( 0.3555556 0.5388603 0.2060247), wk = 0.0028902 k( 243) = ( 0.3500000 0.5484828 0.2060247), wk = 0.0028902 k( 244) = ( 0.3444444 0.5581053 0.2060247), wk = 0.0028902 k( 245) = ( 0.3388889 0.5677278 0.2060247), wk = 0.0028902 k( 246) = ( 0.3333333 0.5773503 0.2060247), wk = 0.0028902 k( 247) = ( 0.3333333 0.5773503 0.2060247), wk = 0.0028902 k( 248) = ( 0.3276836 0.5675647 0.2060247), wk = 0.0028902 k( 249) = ( 0.3220339 0.5577791 0.2060247), wk = 0.0028902 k( 250) = ( 0.3163842 0.5479935 0.2060247), wk = 0.0028902 k( 251) = ( 0.3107345 0.5382079 0.2060247), wk = 0.0028902 k( 252) = ( 0.3050848 0.5284223 0.2060247), wk = 0.0028902 k( 253) = ( 0.2994350 0.5186367 0.2060247), wk = 0.0028902 k( 254) = ( 0.2937853 0.5088511 0.2060247), wk = 0.0028902 k( 255) = ( 0.2881356 0.4990655 0.2060247), wk = 0.0028902 k( 256) = ( 0.2824859 0.4892799 0.2060247), wk = 0.0028902 k( 257) = ( 0.2768362 0.4794943 0.2060247), wk = 0.0028902 k( 258) = ( 0.2711864 0.4697087 0.2060247), wk = 0.0028902 k( 259) = ( 0.2655367 0.4599231 0.2060247), wk = 0.0028902 k( 260) = ( 0.2598870 0.4501375 0.2060247), wk = 0.0028902 k( 261) = ( 0.2542373 0.4403519 0.2060247), wk = 0.0028902 k( 262) = ( 0.2485876 0.4305663 0.2060247), wk = 0.0028902 k( 263) = ( 0.2429379 0.4207807 0.2060247), wk = 0.0028902 k( 264) = ( 0.2372881 0.4109951 0.2060247), wk = 0.0028902 k( 265) = ( 0.2316384 0.4012095 0.2060247), wk = 0.0028902 k( 266) = ( 0.2259887 0.3914239 0.2060247), wk = 0.0028902 k( 267) = ( 0.2203390 0.3816383 0.2060247), wk = 0.0028902 k( 268) = ( 0.2146893 0.3718527 0.2060247), wk = 0.0028902 k( 269) = ( 0.2090395 0.3620671 0.2060247), wk = 0.0028902 k( 270) = ( 0.2033898 0.3522815 0.2060247), wk = 0.0028902 k( 271) = ( 0.1977401 0.3424959 0.2060247), wk = 0.0028902 k( 272) = ( 0.1920904 0.3327103 0.2060247), wk = 0.0028902 k( 273) = ( 0.1864407 0.3229247 0.2060247), wk = 0.0028902 k( 274) = ( 0.1807910 0.3131391 0.2060247), wk = 0.0028902 k( 275) = ( 0.1751412 0.3033535 0.2060247), wk = 0.0028902 k( 276) = ( 0.1694915 0.2935679 0.2060247), wk = 0.0028902 k( 277) = ( 0.1638418 0.2837823 0.2060247), wk = 0.0028902 k( 278) = ( 0.1581921 0.2739967 0.2060247), wk = 0.0028902 k( 279) = ( 0.1525424 0.2642111 0.2060247), wk = 0.0028902 k( 280) = ( 0.1468927 0.2544256 0.2060247), wk = 0.0028902 k( 281) = ( 0.1412429 0.2446399 0.2060247), wk = 0.0028902 k( 282) = ( 0.1355932 0.2348543 0.2060247), wk = 0.0028902 k( 283) = ( 0.1299435 0.2250687 0.2060247), wk = 0.0028902 k( 284) = ( 0.1242938 0.2152832 0.2060247), wk = 0.0028902 k( 285) = ( 0.1186441 0.2054976 0.2060247), wk = 0.0028902 k( 286) = ( 0.1129943 0.1957120 0.2060247), wk = 0.0028902 k( 287) = ( 0.1073446 0.1859264 0.2060247), wk = 0.0028902 k( 288) = ( 0.1016949 0.1761408 0.2060247), wk = 0.0028902 k( 289) = ( 0.0960452 0.1663552 0.2060247), wk = 0.0028902 k( 290) = ( 0.0903955 0.1565696 0.2060247), wk = 0.0028902 k( 291) = ( 0.0847458 0.1467840 0.2060247), wk = 0.0028902 k( 292) = ( 0.0790961 0.1369984 0.2060247), wk = 0.0028902 k( 293) = ( 0.0734463 0.1272128 0.2060247), wk = 0.0028902 k( 294) = ( 0.0677966 0.1174272 0.2060247), wk = 0.0028902 k( 295) = ( 0.0621469 0.1076416 0.2060247), wk = 0.0028902 k( 296) = ( 0.0564972 0.0978560 0.2060247), wk = 0.0028902 k( 297) = ( 0.0508475 0.0880704 0.2060247), wk = 0.0028902 k( 298) = ( 0.0451977 0.0782848 0.2060247), wk = 0.0028902 k( 299) = ( 0.0395480 0.0684992 0.2060247), wk = 0.0028902 k( 300) = ( 0.0338983 0.0587136 0.2060247), wk = 0.0028902 k( 301) = ( 0.0282486 0.0489280 0.2060247), wk = 0.0028902 k( 302) = ( 0.0225989 0.0391424 0.2060247), wk = 0.0028902 k( 303) = ( 0.0169491 0.0293568 0.2060247), wk = 0.0028902 k( 304) = ( 0.0112994 0.0195712 0.2060247), wk = 0.0028902 k( 305) = ( 0.0056497 0.0097856 0.2060247), wk = 0.0028902 k( 306) = ( 0.0000000 0.0000000 0.2060247), wk = 0.0028902 k( 307) = ( 0.5000000 0.2886751 0.2060247), wk = 0.0028902 k( 308) = ( 0.5000000 0.2886751 0.1951812), wk = 0.0028902 k( 309) = ( 0.5000000 0.2886751 0.1843378), wk = 0.0028902 k( 310) = ( 0.5000000 0.2886751 0.1734944), wk = 0.0028902 k( 311) = ( 0.5000000 0.2886751 0.1626510), wk = 0.0028902 k( 312) = ( 0.5000000 0.2886751 0.1518076), wk = 0.0028902 k( 313) = ( 0.5000000 0.2886751 0.1409642), wk = 0.0028902 k( 314) = ( 0.5000000 0.2886751 0.1301208), wk = 0.0028902 k( 315) = ( 0.5000000 0.2886751 0.1192774), wk = 0.0028902 k( 316) = ( 0.5000000 0.2886751 0.1084340), wk = 0.0028902 k( 317) = ( 0.5000000 0.2886751 0.0975906), wk = 0.0028902 k( 318) = ( 0.5000000 0.2886751 0.0867472), wk = 0.0028902 k( 319) = ( 0.5000000 0.2886751 0.0759038), wk = 0.0028902 k( 320) = ( 0.5000000 0.2886751 0.0650604), wk = 0.0028902 k( 321) = ( 0.5000000 0.2886751 0.0542170), wk = 0.0028902 k( 322) = ( 0.5000000 0.2886751 0.0433736), wk = 0.0028902 k( 323) = ( 0.5000000 0.2886751 0.0325302), wk = 0.0028902 k( 324) = ( 0.5000000 0.2886751 0.0216868), wk = 0.0028902 k( 325) = ( 0.5000000 0.2886751 0.0108434), 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 0.0108434), wk = 0.0028902 k( 329) = ( 0.3333333 0.5773503 0.0216868), wk = 0.0028902 k( 330) = ( 0.3333333 0.5773503 0.0325302), wk = 0.0028902 k( 331) = ( 0.3333333 0.5773503 0.0433736), wk = 0.0028902 k( 332) = ( 0.3333333 0.5773503 0.0542170), wk = 0.0028902 k( 333) = ( 0.3333333 0.5773503 0.0650604), wk = 0.0028902 k( 334) = ( 0.3333333 0.5773503 0.0759038), wk = 0.0028902 k( 335) = ( 0.3333333 0.5773503 0.0867472), wk = 0.0028902 k( 336) = ( 0.3333333 0.5773503 0.0975906), wk = 0.0028902 k( 337) = ( 0.3333333 0.5773503 0.1084340), wk = 0.0028902 k( 338) = ( 0.3333333 0.5773503 0.1192774), wk = 0.0028902 k( 339) = ( 0.3333333 0.5773503 0.1301208), wk = 0.0028902 k( 340) = ( 0.3333333 0.5773503 0.1409642), wk = 0.0028902 k( 341) = ( 0.3333333 0.5773503 0.1518076), wk = 0.0028902 k( 342) = ( 0.3333333 0.5773503 0.1626510), wk = 0.0028902 k( 343) = ( 0.3333333 0.5773503 0.1734944), wk = 0.0028902 k( 344) = ( 0.3333333 0.5773503 0.1843378), wk = 0.0028902 k( 345) = ( 0.3333333 0.5773503 0.1951812), wk = 0.0028902 k( 346) = ( 0.3333333 0.5773503 0.2060247), 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 0.2090395 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 0.3684210), 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 0.2090395 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 0.3684210), 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: 92849 G-vectors FFT dimensions: ( 45, 45, 108) Smooth grid: 28229 G-vectors FFT dimensions: ( 30, 30, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 240, 64) NL pseudopotentials 0.26 Mb ( 120, 144) Each V/rho on FFT grid 0.12 Mb ( 8100) Each G-vector array 0.02 Mb ( 2915) G-vector shells 0.01 Mb ( 1399) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.94 Mb ( 240, 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 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 5.4 secs Computing kpt #: 3 total cpu time spent up to now is 7.0 secs Computing kpt #: 4 total cpu time spent up to now is 8.6 secs Computing kpt #: 5 total cpu time spent up to now is 10.2 secs Computing kpt #: 6 total cpu time spent up to now is 11.8 secs Computing kpt #: 7 total cpu time spent up to now is 13.4 secs Computing kpt #: 8 total cpu time spent up to now is 15.1 secs Computing kpt #: 9 total cpu time spent up to now is 16.7 secs Computing kpt #: 10 total cpu time spent up to now is 18.3 secs Computing kpt #: 11 total cpu time spent up to now is 20.0 secs Computing kpt #: 12 total cpu time spent up to now is 21.6 secs Computing kpt #: 13 total cpu time spent up to now is 23.2 secs Computing kpt #: 14 total cpu time spent up to now is 24.9 secs Computing kpt #: 15 total cpu time spent up to now is 26.5 secs Computing kpt #: 16 total cpu time spent up to now is 28.2 secs Computing kpt #: 17 total cpu time spent up to now is 29.8 secs Computing kpt #: 18 total cpu time spent up to now is 31.5 secs Computing kpt #: 19 total cpu time spent up to now is 33.2 secs Computing kpt #: 20 total cpu time spent up to now is 34.9 secs Computing kpt #: 21 total cpu time spent up to now is 36.6 secs Computing kpt #: 22 total cpu time spent up to now is 38.3 secs Computing kpt #: 23 total cpu time spent up to now is 40.0 secs Computing kpt #: 24 total cpu time spent up to now is 41.7 secs Computing kpt #: 25 total cpu time spent up to now is 43.4 secs Computing kpt #: 26 total cpu time spent up to now is 45.1 secs Computing kpt #: 27 total cpu time spent up to now is 47.0 secs Computing kpt #: 28 total cpu time spent up to now is 48.8 secs Computing kpt #: 29 total cpu time spent up to now is 50.6 secs Computing kpt #: 30 total cpu time spent up to now is 52.4 secs Computing kpt #: 31 total cpu time spent up to now is 54.2 secs Computing kpt #: 32 total cpu time spent up to now is 56.0 secs Computing kpt #: 33 total cpu time spent up to now is 57.7 secs Computing kpt #: 34 total cpu time spent up to now is 59.7 secs Computing kpt #: 35 total cpu time spent up to now is 61.9 secs Computing kpt #: 36 total cpu time spent up to now is 64.2 secs Computing kpt #: 37 total cpu time spent up to now is 66.4 secs Computing kpt #: 38 total cpu time spent up to now is 68.4 secs Computing kpt #: 39 total cpu time spent up to now is 70.3 secs Computing kpt #: 40 total cpu time spent up to now is 72.2 secs Computing kpt #: 41 total cpu time spent up to now is 73.9 secs Computing kpt #: 42 total cpu time spent up to now is 75.6 secs Computing kpt #: 43 total cpu time spent up to now is 77.3 secs Computing kpt #: 44 total cpu time spent up to now is 78.9 secs Computing kpt #: 45 total cpu time spent up to now is 80.5 secs Computing kpt #: 46 total cpu time spent up to now is 82.2 secs Computing kpt #: 47 total cpu time spent up to now is 83.8 secs Computing kpt #: 48 total cpu time spent up to now is 85.5 secs Computing kpt #: 49 total cpu time spent up to now is 87.1 secs Computing kpt #: 50 total cpu time spent up to now is 88.7 secs Computing kpt #: 51 total cpu time spent up to now is 90.3 secs Computing kpt #: 52 total cpu time spent up to now is 91.9 secs Computing kpt #: 53 total cpu time spent up to now is 93.5 secs Computing kpt #: 54 total cpu time spent up to now is 95.1 secs Computing kpt #: 55 total cpu time spent up to now is 96.8 secs Computing kpt #: 56 total cpu time spent up to now is 98.4 secs Computing kpt #: 57 total cpu time spent up to now is 100.0 secs Computing kpt #: 58 total cpu time spent up to now is 101.6 secs Computing kpt #: 59 total cpu time spent up to now is 103.3 secs Computing kpt #: 60 total cpu time spent up to now is 105.0 secs Computing kpt #: 61 total cpu time spent up to now is 106.7 secs Computing kpt #: 62 total cpu time spent up to now is 108.4 secs Computing kpt #: 63 total cpu time spent up to now is 110.0 secs Computing kpt #: 64 total cpu time spent up to now is 111.6 secs Computing kpt #: 65 total cpu time spent up to now is 113.3 secs Computing kpt #: 66 total cpu time spent up to now is 114.9 secs Computing kpt #: 67 total cpu time spent up to now is 116.6 secs Computing kpt #: 68 total cpu time spent up to now is 118.3 secs Computing kpt #: 69 total cpu time spent up to now is 119.9 secs Computing kpt #: 70 total cpu time spent up to now is 121.6 secs Computing kpt #: 71 total cpu time spent up to now is 123.2 secs Computing kpt #: 72 total cpu time spent up to now is 124.9 secs Computing kpt #: 73 total cpu time spent up to now is 126.5 secs Computing kpt #: 74 total cpu time spent up to now is 128.2 secs Computing kpt #: 75 total cpu time spent up to now is 129.9 secs Computing kpt #: 76 total cpu time spent up to now is 131.6 secs Computing kpt #: 77 total cpu time spent up to now is 133.2 secs Computing kpt #: 78 total cpu time spent up to now is 135.1 secs Computing kpt #: 79 total cpu time spent up to now is 137.0 secs Computing kpt #: 80 total cpu time spent up to now is 139.0 secs Computing kpt #: 81 total cpu time spent up to now is 141.3 secs Computing kpt #: 82 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 144.5 secs Computing kpt #: 83 total cpu time spent up to now is 147.5 secs Computing kpt #: 84 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 150.7 secs Computing kpt #: 85 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 153.9 secs Computing kpt #: 86 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 157.1 secs Computing kpt #: 87 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 160.3 secs Computing kpt #: 88 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 163.5 secs Computing kpt #: 89 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 166.7 secs Computing kpt #: 90 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 169.8 secs Computing kpt #: 91 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 172.8 secs Computing kpt #: 92 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 175.9 secs Computing kpt #: 93 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 179.0 secs Computing kpt #: 94 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 182.0 secs Computing kpt #: 95 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 185.0 secs Computing kpt #: 96 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 188.0 secs Computing kpt #: 97 total cpu time spent up to now is 190.6 secs Computing kpt #: 98 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 193.6 secs Computing kpt #: 99 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 196.7 secs Computing kpt #: 100 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 199.7 secs Computing kpt #: 101 total cpu time spent up to now is 202.6 secs Computing kpt #: 102 total cpu time spent up to now is 204.5 secs Computing kpt #: 103 total cpu time spent up to now is 206.5 secs Computing kpt #: 104 total cpu time spent up to now is 208.3 secs Computing kpt #: 105 total cpu time spent up to now is 210.5 secs Computing kpt #: 106 total cpu time spent up to now is 212.8 secs Computing kpt #: 107 total cpu time spent up to now is 214.7 secs Computing kpt #: 108 total cpu time spent up to now is 216.7 secs Computing kpt #: 109 total cpu time spent up to now is 218.4 secs Computing kpt #: 110 total cpu time spent up to now is 220.4 secs Computing kpt #: 111 total cpu time spent up to now is 222.3 secs Computing kpt #: 112 total cpu time spent up to now is 224.0 secs Computing kpt #: 113 total cpu time spent up to now is 226.0 secs Computing kpt #: 114 total cpu time spent up to now is 228.1 secs Computing kpt #: 115 total cpu time spent up to now is 229.9 secs Computing kpt #: 116 total cpu time spent up to now is 231.8 secs Computing kpt #: 117 total cpu time spent up to now is 233.5 secs Computing kpt #: 118 total cpu time spent up to now is 235.2 secs Computing kpt #: 119 total cpu time spent up to now is 236.9 secs Computing kpt #: 120 total cpu time spent up to now is 238.5 secs Computing kpt #: 121 total cpu time spent up to now is 240.2 secs Computing kpt #: 122 total cpu time spent up to now is 241.9 secs Computing kpt #: 123 total cpu time spent up to now is 243.6 secs Computing kpt #: 124 total cpu time spent up to now is 245.3 secs Computing kpt #: 125 total cpu time spent up to now is 247.0 secs Computing kpt #: 126 total cpu time spent up to now is 248.6 secs Computing kpt #: 127 total cpu time spent up to now is 250.3 secs Computing kpt #: 128 total cpu time spent up to now is 252.0 secs Computing kpt #: 129 total cpu time spent up to now is 253.6 secs Computing kpt #: 130 total cpu time spent up to now is 255.2 secs Computing kpt #: 131 total cpu time spent up to now is 256.9 secs Computing kpt #: 132 total cpu time spent up to now is 258.5 secs Computing kpt #: 133 total cpu time spent up to now is 260.2 secs Computing kpt #: 134 total cpu time spent up to now is 261.8 secs Computing kpt #: 135 total cpu time spent up to now is 263.4 secs Computing kpt #: 136 total cpu time spent up to now is 265.0 secs Computing kpt #: 137 total cpu time spent up to now is 266.6 secs Computing kpt #: 138 total cpu time spent up to now is 268.2 secs Computing kpt #: 139 total cpu time spent up to now is 269.9 secs Computing kpt #: 140 total cpu time spent up to now is 271.5 secs Computing kpt #: 141 total cpu time spent up to now is 273.1 secs Computing kpt #: 142 total cpu time spent up to now is 274.7 secs Computing kpt #: 143 total cpu time spent up to now is 276.2 secs Computing kpt #: 144 total cpu time spent up to now is 277.8 secs Computing kpt #: 145 total cpu time spent up to now is 279.4 secs Computing kpt #: 146 total cpu time spent up to now is 281.1 secs Computing kpt #: 147 total cpu time spent up to now is 282.7 secs Computing kpt #: 148 total cpu time spent up to now is 284.4 secs Computing kpt #: 149 total cpu time spent up to now is 286.0 secs Computing kpt #: 150 total cpu time spent up to now is 287.6 secs Computing kpt #: 151 total cpu time spent up to now is 289.3 secs Computing kpt #: 152 total cpu time spent up to now is 290.9 secs Computing kpt #: 153 total cpu time spent up to now is 292.6 secs Computing kpt #: 154 total cpu time spent up to now is 294.2 secs Computing kpt #: 155 total cpu time spent up to now is 295.8 secs Computing kpt #: 156 total cpu time spent up to now is 297.5 secs Computing kpt #: 157 total cpu time spent up to now is 299.2 secs Computing kpt #: 158 total cpu time spent up to now is 300.9 secs Computing kpt #: 159 total cpu time spent up to now is 302.7 secs Computing kpt #: 160 total cpu time spent up to now is 304.5 secs Computing kpt #: 161 total cpu time spent up to now is 306.4 secs Computing kpt #: 162 total cpu time spent up to now is 308.5 secs Computing kpt #: 163 total cpu time spent up to now is 310.3 secs Computing kpt #: 164 total cpu time spent up to now is 312.1 secs Computing kpt #: 165 total cpu time spent up to now is 314.0 secs Computing kpt #: 166 total cpu time spent up to now is 316.0 secs Computing kpt #: 167 total cpu time spent up to now is 317.9 secs Computing kpt #: 168 total cpu time spent up to now is 319.8 secs Computing kpt #: 169 total cpu time spent up to now is 321.7 secs Computing kpt #: 170 total cpu time spent up to now is 323.6 secs Computing kpt #: 171 total cpu time spent up to now is 325.5 secs Computing kpt #: 172 total cpu time spent up to now is 327.4 secs Computing kpt #: 173 total cpu time spent up to now is 329.2 secs Computing kpt #: 174 total cpu time spent up to now is 331.0 secs Computing kpt #: 175 total cpu time spent up to now is 332.9 secs Computing kpt #: 176 total cpu time spent up to now is 334.8 secs Computing kpt #: 177 total cpu time spent up to now is 336.8 secs Computing kpt #: 178 total cpu time spent up to now is 338.7 secs Computing kpt #: 179 total cpu time spent up to now is 340.6 secs Computing kpt #: 180 total cpu time spent up to now is 342.9 secs Computing kpt #: 181 total cpu time spent up to now is 345.2 secs Computing kpt #: 182 total cpu time spent up to now is 347.2 secs Computing kpt #: 183 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 350.2 secs Computing kpt #: 184 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 353.2 secs Computing kpt #: 185 total cpu time spent up to now is 355.3 secs Computing kpt #: 186 total cpu time spent up to now is 357.5 secs Computing kpt #: 187 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 360.5 secs Computing kpt #: 188 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 363.5 secs Computing kpt #: 189 total cpu time spent up to now is 366.5 secs Computing kpt #: 190 total cpu time spent up to now is 369.4 secs Computing kpt #: 191 total cpu time spent up to now is 372.1 secs Computing kpt #: 192 total cpu time spent up to now is 374.7 secs Computing kpt #: 193 total cpu time spent up to now is 377.4 secs Computing kpt #: 194 total cpu time spent up to now is 379.7 secs Computing kpt #: 195 total cpu time spent up to now is 382.0 secs Computing kpt #: 196 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 385.1 secs Computing kpt #: 197 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 388.2 secs Computing kpt #: 198 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 391.3 secs Computing kpt #: 199 total cpu time spent up to now is 394.0 secs Computing kpt #: 200 total cpu time spent up to now is 396.3 secs Computing kpt #: 201 total cpu time spent up to now is 398.4 secs Computing kpt #: 202 total cpu time spent up to now is 400.5 secs Computing kpt #: 203 total cpu time spent up to now is 402.5 secs Computing kpt #: 204 total cpu time spent up to now is 404.2 secs Computing kpt #: 205 total cpu time spent up to now is 405.9 secs Computing kpt #: 206 total cpu time spent up to now is 407.6 secs Computing kpt #: 207 total cpu time spent up to now is 409.2 secs Computing kpt #: 208 total cpu time spent up to now is 410.8 secs Computing kpt #: 209 total cpu time spent up to now is 412.5 secs Computing kpt #: 210 total cpu time spent up to now is 414.2 secs Computing kpt #: 211 total cpu time spent up to now is 415.9 secs Computing kpt #: 212 total cpu time spent up to now is 417.5 secs Computing kpt #: 213 total cpu time spent up to now is 419.1 secs Computing kpt #: 214 total cpu time spent up to now is 420.7 secs Computing kpt #: 215 total cpu time spent up to now is 422.3 secs Computing kpt #: 216 total cpu time spent up to now is 423.9 secs Computing kpt #: 217 total cpu time spent up to now is 425.5 secs Computing kpt #: 218 total cpu time spent up to now is 427.1 secs Computing kpt #: 219 total cpu time spent up to now is 428.7 secs Computing kpt #: 220 total cpu time spent up to now is 430.3 secs Computing kpt #: 221 total cpu time spent up to now is 432.0 secs Computing kpt #: 222 total cpu time spent up to now is 433.6 secs Computing kpt #: 223 total cpu time spent up to now is 435.2 secs Computing kpt #: 224 total cpu time spent up to now is 436.8 secs Computing kpt #: 225 total cpu time spent up to now is 438.4 secs Computing kpt #: 226 total cpu time spent up to now is 440.1 secs Computing kpt #: 227 total cpu time spent up to now is 441.7 secs Computing kpt #: 228 total cpu time spent up to now is 443.4 secs Computing kpt #: 229 total cpu time spent up to now is 445.0 secs Computing kpt #: 230 total cpu time spent up to now is 446.7 secs Computing kpt #: 231 total cpu time spent up to now is 448.4 secs Computing kpt #: 232 total cpu time spent up to now is 450.1 secs Computing kpt #: 233 total cpu time spent up to now is 451.9 secs Computing kpt #: 234 total cpu time spent up to now is 453.5 secs Computing kpt #: 235 total cpu time spent up to now is 455.2 secs Computing kpt #: 236 total cpu time spent up to now is 457.2 secs Computing kpt #: 237 total cpu time spent up to now is 458.9 secs Computing kpt #: 238 total cpu time spent up to now is 461.0 secs Computing kpt #: 239 total cpu time spent up to now is 462.9 secs Computing kpt #: 240 total cpu time spent up to now is 465.2 secs Computing kpt #: 241 total cpu time spent up to now is 467.3 secs Computing kpt #: 242 total cpu time spent up to now is 469.5 secs Computing kpt #: 243 total cpu time spent up to now is 471.7 secs Computing kpt #: 244 total cpu time spent up to now is 473.8 secs Computing kpt #: 245 total cpu time spent up to now is 475.7 secs Computing kpt #: 246 total cpu time spent up to now is 477.6 secs Computing kpt #: 247 total cpu time spent up to now is 479.4 secs Computing kpt #: 248 total cpu time spent up to now is 481.2 secs Computing kpt #: 249 total cpu time spent up to now is 483.1 secs Computing kpt #: 250 total cpu time spent up to now is 485.0 secs Computing kpt #: 251 total cpu time spent up to now is 487.0 secs Computing kpt #: 252 total cpu time spent up to now is 489.2 secs Computing kpt #: 253 total cpu time spent up to now is 491.4 secs Computing kpt #: 254 total cpu time spent up to now is 494.0 secs Computing kpt #: 255 total cpu time spent up to now is 496.8 secs Computing kpt #: 256 total cpu time spent up to now is 499.0 secs Computing kpt #: 257 total cpu time spent up to now is 502.0 secs Computing kpt #: 258 total cpu time spent up to now is 504.3 secs Computing kpt #: 259 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 507.4 secs Computing kpt #: 260 total cpu time spent up to now is 510.1 secs Computing kpt #: 261 total cpu time spent up to now is 512.6 secs Computing kpt #: 262 total cpu time spent up to now is 515.6 secs Computing kpt #: 263 total cpu time spent up to now is 518.3 secs Computing kpt #: 264 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 521.5 secs Computing kpt #: 265 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 524.7 secs Computing kpt #: 266 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 527.8 secs Computing kpt #: 267 total cpu time spent up to now is 530.8 secs Computing kpt #: 268 total cpu time spent up to now is 532.8 secs Computing kpt #: 269 total cpu time spent up to now is 535.1 secs Computing kpt #: 270 total cpu time spent up to now is 537.4 secs Computing kpt #: 271 total cpu time spent up to now is 539.5 secs Computing kpt #: 272 total cpu time spent up to now is 541.3 secs Computing kpt #: 273 total cpu time spent up to now is 543.1 secs Computing kpt #: 274 total cpu time spent up to now is 544.9 secs Computing kpt #: 275 total cpu time spent up to now is 546.6 secs Computing kpt #: 276 total cpu time spent up to now is 548.6 secs Computing kpt #: 277 total cpu time spent up to now is 550.3 secs Computing kpt #: 278 total cpu time spent up to now is 552.0 secs Computing kpt #: 279 total cpu time spent up to now is 553.8 secs Computing kpt #: 280 total cpu time spent up to now is 555.7 secs Computing kpt #: 281 total cpu time spent up to now is 557.5 secs Computing kpt #: 282 total cpu time spent up to now is 559.3 secs Computing kpt #: 283 total cpu time spent up to now is 561.1 secs Computing kpt #: 284 total cpu time spent up to now is 562.9 secs Computing kpt #: 285 total cpu time spent up to now is 564.7 secs Computing kpt #: 286 total cpu time spent up to now is 566.5 secs Computing kpt #: 287 total cpu time spent up to now is 568.3 secs Computing kpt #: 288 total cpu time spent up to now is 570.1 secs Computing kpt #: 289 total cpu time spent up to now is 572.0 secs Computing kpt #: 290 total cpu time spent up to now is 573.8 secs Computing kpt #: 291 total cpu time spent up to now is 575.7 secs Computing kpt #: 292 total cpu time spent up to now is 577.5 secs Computing kpt #: 293 total cpu time spent up to now is 579.3 secs Computing kpt #: 294 total cpu time spent up to now is 581.1 secs Computing kpt #: 295 total cpu time spent up to now is 583.0 secs Computing kpt #: 296 total cpu time spent up to now is 584.9 secs Computing kpt #: 297 total cpu time spent up to now is 586.7 secs Computing kpt #: 298 total cpu time spent up to now is 588.6 secs Computing kpt #: 299 total cpu time spent up to now is 590.5 secs Computing kpt #: 300 total cpu time spent up to now is 592.4 secs Computing kpt #: 301 total cpu time spent up to now is 594.3 secs Computing kpt #: 302 total cpu time spent up to now is 596.2 secs Computing kpt #: 303 total cpu time spent up to now is 598.1 secs Computing kpt #: 304 total cpu time spent up to now is 599.9 secs Computing kpt #: 305 total cpu time spent up to now is 601.8 secs Computing kpt #: 306 total cpu time spent up to now is 603.6 secs Computing kpt #: 307 total cpu time spent up to now is 605.2 secs Computing kpt #: 308 total cpu time spent up to now is 606.8 secs Computing kpt #: 309 total cpu time spent up to now is 608.4 secs Computing kpt #: 310 total cpu time spent up to now is 610.0 secs Computing kpt #: 311 total cpu time spent up to now is 611.6 secs Computing kpt #: 312 total cpu time spent up to now is 613.2 secs Computing kpt #: 313 total cpu time spent up to now is 614.9 secs Computing kpt #: 314 total cpu time spent up to now is 616.5 secs Computing kpt #: 315 total cpu time spent up to now is 618.1 secs Computing kpt #: 316 total cpu time spent up to now is 619.8 secs Computing kpt #: 317 total cpu time spent up to now is 621.4 secs Computing kpt #: 318 total cpu time spent up to now is 623.1 secs Computing kpt #: 319 total cpu time spent up to now is 624.7 secs Computing kpt #: 320 total cpu time spent up to now is 626.4 secs Computing kpt #: 321 total cpu time spent up to now is 628.0 secs Computing kpt #: 322 total cpu time spent up to now is 629.6 secs Computing kpt #: 323 total cpu time spent up to now is 631.3 secs Computing kpt #: 324 total cpu time spent up to now is 632.9 secs Computing kpt #: 325 total cpu time spent up to now is 634.5 secs Computing kpt #: 326 total cpu time spent up to now is 636.1 secs Computing kpt #: 327 total cpu time spent up to now is 639.2 secs Computing kpt #: 328 total cpu time spent up to now is 641.7 secs Computing kpt #: 329 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 644.9 secs Computing kpt #: 330 total cpu time spent up to now is 647.4 secs Computing kpt #: 331 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 650.7 secs Computing kpt #: 332 total cpu time spent up to now is 653.4 secs Computing kpt #: 333 total cpu time spent up to now is 656.1 secs Computing kpt #: 334 total cpu time spent up to now is 658.7 secs Computing kpt #: 335 total cpu time spent up to now is 661.0 secs Computing kpt #: 336 total cpu time spent up to now is 663.3 secs Computing kpt #: 337 total cpu time spent up to now is 665.6 secs Computing kpt #: 338 total cpu time spent up to now is 667.6 secs Computing kpt #: 339 total cpu time spent up to now is 669.7 secs Computing kpt #: 340 total cpu time spent up to now is 671.9 secs Computing kpt #: 341 total cpu time spent up to now is 673.9 secs Computing kpt #: 342 total cpu time spent up to now is 676.0 secs Computing kpt #: 343 total cpu time spent up to now is 678.0 secs Computing kpt #: 344 total cpu time spent up to now is 680.0 secs Computing kpt #: 345 total cpu time spent up to now is 681.7 secs Computing kpt #: 346 total cpu time spent up to now is 683.7 secs ethr = 1.85E-11, avg # of iterations = 48.1 total cpu time spent up to now is 683.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3569 PWs) bands (ev): -9.3290 -9.3290 -8.6425 -8.6425 -8.6414 -8.6414 1.0370 1.0370 1.1181 1.1181 1.6468 1.6468 1.8581 1.8581 2.1375 2.1375 2.1618 2.1618 2.2737 2.2737 2.4369 2.4369 3.4442 3.4442 3.4867 3.4867 3.6260 3.6260 3.6496 3.6496 4.0247 4.0247 4.1426 4.1426 4.2929 4.2929 5.1884 5.1884 5.2106 5.2106 6.1581 6.1581 6.5347 6.5347 6.8483 6.8483 6.8611 6.8611 8.0727 8.0727 8.4836 8.4836 8.4878 8.4878 9.8933 9.8933 12.0582 12.0582 12.0986 12.0986 15.6229 15.6229 15.6740 15.6740 k = 0.0098 0.0057-0.0000 ( 3567 PWs) bands (ev): -9.3287 -9.3286 -8.6426 -8.6422 -8.6413 -8.6413 1.0340 1.0399 1.1183 1.1183 1.6439 1.6507 1.8550 1.8619 2.1376 2.1376 2.1605 2.1635 2.2739 2.2739 2.4331 2.4413 3.4403 3.4479 3.4860 3.4874 3.6226 3.6296 3.6498 3.6498 4.0244 4.0245 4.1391 4.1459 4.2920 4.2936 5.1842 5.1914 5.2113 5.2115 6.1567 6.1603 6.5201 6.5205 6.8517 6.8533 6.8709 6.8725 8.0707 8.0736 8.4781 8.4827 8.4879 8.4897 9.8903 9.8957 12.0595 12.0617 12.1009 12.1010 15.6203 15.6255 15.6740 15.6740 k = 0.0196 0.0113-0.0000 ( 3565 PWs) bands (ev): -9.3278 -9.3277 -8.6427 -8.6418 -8.6411 -8.6410 1.0308 1.0425 1.1185 1.1187 1.6419 1.6554 1.8527 1.8663 2.1379 2.1380 2.1595 2.1654 2.2744 2.2745 2.4299 2.4463 3.4365 3.4516 3.4853 3.4881 3.6193 3.6332 3.6502 3.6504 4.0237 4.0237 4.1356 4.1492 4.2911 4.2943 5.1793 5.1928 5.2127 5.2143 6.1560 6.1632 6.4828 6.4837 6.8529 6.8569 6.9055 6.9092 8.0678 8.0736 8.4697 8.4776 8.4863 8.4919 9.8869 9.8975 12.0657 12.0701 12.1079 12.1082 15.6177 15.6281 15.6740 15.6742 k = 0.0294 0.0170-0.0000 ( 3571 PWs) bands (ev): -9.3263 -9.3262 -8.6426 -8.6414 -8.6407 -8.6403 1.0275 1.0449 1.1190 1.1194 1.6409 1.6610 1.8512 1.8712 2.1384 2.1387 2.1587 2.1677 2.2752 2.2755 2.4273 2.4521 3.4327 3.4552 3.4846 3.4888 3.6161 3.6369 3.6509 3.6516 4.0225 4.0226 4.1320 4.1523 4.2901 4.2949 5.1741 5.1929 5.2147 5.2188 6.1561 6.1668 6.4327 6.4346 6.8535 6.8595 6.9544 6.9595 8.0638 8.0726 8.4590 8.4704 8.4823 8.4925 9.8833 9.8987 12.0768 12.0831 12.1194 12.1203 15.6151 15.6303 15.6740 15.6747 k = 0.0392 0.0226-0.0000 ( 3557 PWs) bands (ev): -9.3242 -9.3241 -8.6424 -8.6409 -8.6402 -8.6394 1.0243 1.0471 1.1195 1.1204 1.6408 1.6674 1.8506 1.8766 2.1390 2.1397 2.1583 2.1703 2.2762 2.2769 2.4252 2.4586 3.4288 3.4587 3.4840 3.4895 3.6131 3.6405 3.6518 3.6535 4.0207 4.0210 4.1284 4.1553 4.2890 4.2955 5.1686 5.1922 5.2169 5.2245 6.1567 6.1711 6.3769 6.3798 6.8544 6.8622 7.0093 7.0157 8.0587 8.0707 8.4464 8.4614 8.4760 8.4917 9.8798 9.8996 12.0926 12.1005 12.1351 12.1372 15.6125 15.6320 15.6741 15.6758 k = 0.0490 0.0283-0.0000 ( 3561 PWs) bands (ev): -9.3216 -9.3215 -8.6422 -8.6404 -8.6394 -8.6382 1.0210 1.0489 1.1200 1.1218 1.6417 1.6746 1.8508 1.8824 2.1397 2.1409 2.1581 2.1732 2.2774 2.2788 2.4236 2.4658 3.4251 3.4618 3.4834 3.4903 3.6104 3.6439 3.6529 3.6561 4.0186 4.0191 4.1247 4.1581 4.2879 4.2960 5.1630 5.1911 5.2192 5.2309 6.1575 6.1758 6.3192 6.3230 6.8556 6.8653 7.0664 7.0737 8.0526 8.0679 8.4318 8.4509 8.4675 8.4895 9.8767 9.9004 12.1126 12.1220 12.1546 12.1586 15.6096 15.6327 15.6744 15.6778 k = 0.0588 0.0340-0.0000 ( 3553 PWs) bands (ev): -9.3183 -9.3182 -8.6419 -8.6398 -8.6383 -8.6368 1.0178 1.0504 1.1206 1.1236 1.6436 1.6825 1.8518 1.8885 2.1404 2.1424 2.1583 2.1764 2.2789 2.2811 2.4226 2.4739 3.4213 3.4647 3.4829 3.4911 3.6078 3.6473 3.6542 3.6595 4.0160 4.0168 4.1211 4.1607 4.2868 4.2965 5.1573 5.1898 5.2217 5.2379 6.1574 6.1808 6.2620 6.2668 6.8572 6.8687 7.1232 7.1315 8.0454 8.0642 8.4158 8.4386 8.4574 8.4862 9.8745 9.9013 12.1365 12.1476 12.1778 12.1843 15.6065 15.6323 15.6753 15.6809 k = 0.0686 0.0396-0.0000 ( 3549 PWs) bands (ev): -9.3145 -9.3144 -8.6415 -8.6392 -8.6371 -8.6352 1.0147 1.0517 1.1213 1.1257 1.6465 1.6910 1.8537 1.8947 2.1412 2.1439 2.1587 2.1798 2.2804 2.2840 2.4220 2.4828 3.4177 3.4669 3.4826 3.4921 3.6054 3.6508 3.6556 3.6636 4.0130 4.0144 4.1174 4.1632 4.2857 4.2971 5.1514 5.1882 5.2244 5.2453 6.1515 6.1852 6.2068 6.2179 6.8591 6.8723 7.1783 7.1874 8.0370 8.0596 8.3988 8.4246 8.4464 8.4819 9.8736 9.9029 12.1638 12.1769 12.2042 12.2140 15.6028 15.6305 15.6769 15.6852 k = 0.0784 0.0453-0.0000 ( 3549 PWs) bands (ev): -9.3102 -9.3100 -8.6411 -8.6385 -8.6356 -8.6333 1.0117 1.0526 1.1219 1.1281 1.6503 1.7002 1.8564 1.9009 2.1419 2.1455 2.1596 2.1832 2.2821 2.2873 2.4220 2.4926 3.4141 3.4684 3.4826 3.4934 3.6033 3.6544 3.6572 3.6683 4.0097 4.0117 4.1139 4.1654 4.2847 4.2978 5.1454 5.1864 5.2273 5.2532 6.1229 6.1525 6.1849 6.1994 6.8614 6.8762 7.2304 7.2402 8.0274 8.0540 8.3810 8.4087 8.4353 8.4769 9.8746 9.9055 12.1940 12.2097 12.2336 12.2473 15.5987 15.6272 15.6793 15.6908 k = 0.0882 0.0509-0.0000 ( 3557 PWs) bands (ev): -9.3054 -9.3052 -8.6406 -8.6377 -8.6338 -8.6313 1.0089 1.0534 1.1225 1.1308 1.6550 1.7100 1.8598 1.9072 2.1426 2.1469 2.1609 2.1867 2.2840 2.2911 2.4225 2.5032 3.4107 3.4691 3.4829 3.4950 3.6014 3.6574 3.6599 3.6735 4.0062 4.0090 4.1104 4.1675 4.2838 4.2985 5.1391 5.1842 5.2305 5.2615 6.0755 6.1001 6.1846 6.2029 6.8639 6.8802 7.2786 7.2889 8.0166 8.0476 8.3630 8.3907 8.4250 8.4715 9.8779 9.9096 12.2265 12.2454 12.2656 12.2837 15.5938 15.6225 15.6828 15.6974 k = 0.0980 0.0566-0.0000 ( 3557 PWs) bands (ev): -9.3000 -9.2998 -8.6400 -8.6369 -8.6319 -8.6291 1.0062 1.0539 1.1232 1.1336 1.6606 1.7203 1.8638 1.9133 2.1432 2.1481 2.1627 2.1902 2.2860 2.2953 2.4236 2.5147 3.4074 3.4689 3.4833 3.4970 3.5997 3.6594 3.6642 3.6790 4.0025 4.0063 4.1071 4.1693 4.2831 4.2994 5.1326 5.1814 5.2340 5.2701 6.0251 6.0502 6.1879 6.2092 6.8666 6.8842 7.3219 7.3325 8.0044 8.0403 8.3452 8.3708 8.4162 8.4662 9.8840 9.9158 12.2610 12.2834 12.3002 12.3229 15.5883 15.6164 15.6875 15.7050 k = 0.1078 0.0623-0.0000 ( 3553 PWs) bands (ev): -9.2941 -9.2939 -8.6393 -8.6360 -8.6298 -8.6266 1.0037 1.0543 1.1240 1.1366 1.6670 1.7311 1.8684 1.9192 2.1438 2.1490 2.1650 2.1936 2.2881 2.2999 2.4252 2.5270 3.4043 3.4681 3.4836 3.4996 3.5983 3.6611 3.6694 3.6851 3.9987 4.0036 4.1038 4.1709 4.2826 4.3004 5.1259 5.1780 5.2381 5.2790 5.9761 6.0032 6.1928 6.2161 6.8694 6.8882 7.3596 7.3702 7.9908 8.0319 8.3279 8.3494 8.4092 8.4612 9.8935 9.9246 12.2969 12.3227 12.3375 12.3642 15.5819 15.6089 15.6932 15.7134 k = 0.1176 0.0679-0.0000 ( 3553 PWs) bands (ev): -9.2878 -9.2875 -8.6386 -8.6351 -8.6274 -8.6240 1.0014 1.0545 1.1248 1.1398 1.6742 1.7424 1.8735 1.9249 2.1442 2.1497 2.1676 2.1968 2.2904 2.3049 2.4274 2.5400 3.4015 3.4669 3.4837 3.5026 3.5972 3.6628 3.6751 3.6915 3.9949 4.0012 4.1008 4.1723 4.2823 4.3016 5.1188 5.1739 5.2426 5.2882 5.9295 5.9593 6.1986 6.2233 6.8722 6.8920 7.3910 7.4013 7.9757 8.0224 8.3114 8.3270 8.4046 8.4569 9.9068 9.9366 12.3339 12.3619 12.3778 12.4074 15.5748 15.6001 15.7000 15.7225 k = 0.1275 0.0736-0.0000 ( 3559 PWs) bands (ev): -9.2810 -9.2808 -8.6379 -8.6341 -8.6249 -8.6213 0.9993 1.0545 1.1257 1.1429 1.6821 1.7540 1.8789 1.9302 2.1446 2.1501 2.1706 2.1998 2.2929 2.3101 2.4301 2.5536 3.3989 3.4654 3.4836 3.5059 3.5964 3.6645 3.6815 3.6984 3.9911 3.9991 4.0980 4.1735 4.2825 4.3031 5.1114 5.1690 5.2477 5.2978 5.8859 5.9189 6.2050 6.2308 6.8749 6.8955 7.4157 7.4250 7.9591 8.0117 8.2957 8.3043 8.4024 8.4537 9.9243 9.9521 12.3714 12.4007 12.4207 12.4518 15.5667 15.5900 15.7077 15.7323 k = 0.1373 0.0792-0.0000 ( 3563 PWs) bands (ev): -9.2739 -9.2736 -8.6370 -8.6331 -8.6222 -8.6183 0.9974 1.0544 1.1266 1.1462 1.6906 1.7659 1.8845 1.9351 2.1449 2.1504 2.1738 2.2024 2.2956 2.3155 2.4335 2.5678 3.3965 3.4638 3.4833 3.5095 3.5960 3.6662 3.6884 3.7057 3.9876 3.9973 4.0954 4.1746 4.2829 4.3048 5.1036 5.1633 5.2533 5.3075 5.8455 5.8821 6.2119 6.2386 6.8773 6.8987 7.4333 7.4411 7.9410 7.9997 8.2784 8.2842 8.4027 8.4517 9.9463 9.9718 12.4093 12.4390 12.4651 12.4970 15.5575 15.5786 15.7161 15.7425 k = 0.1471 0.0849-0.0000 ( 3555 PWs) bands (ev): -9.2663 -9.2660 -8.6361 -8.6320 -8.6193 -8.6152 0.9958 1.0543 1.1278 1.1493 1.6997 1.7780 1.8902 1.9397 2.1449 2.1506 2.1772 2.2047 2.2986 2.3210 2.4374 2.5825 3.3945 3.4622 3.4828 3.5132 3.5959 3.6680 3.6958 3.7136 3.9842 3.9960 4.0931 4.1754 4.2838 4.3069 5.0954 5.1569 5.2595 5.3175 5.8087 5.8489 6.2192 6.2466 6.8794 6.9013 7.4439 7.4494 7.9214 7.9864 8.2566 8.2703 8.4053 8.4512 9.9732 9.9958 12.4468 12.4768 12.5101 12.5426 15.5470 15.5658 15.7247 15.7531 k = 0.1569 0.0906-0.0000 ( 3553 PWs) bands (ev): -9.2583 -9.2580 -8.6351 -8.6308 -8.6163 -8.6120 0.9943 1.0540 1.1290 1.1525 1.7093 1.7903 1.8958 1.9437 2.1447 2.1508 2.1807 2.2066 2.3018 2.3265 2.4420 2.5975 3.3929 3.4605 3.4822 3.5171 3.5962 3.6700 3.7037 3.7220 3.9813 3.9951 4.0912 4.1762 4.2852 4.3092 5.0868 5.1498 5.2661 5.3277 5.7753 5.8193 6.2269 6.2550 6.8810 6.9033 7.4475 7.4501 7.9006 7.9719 8.2347 8.2586 8.4097 8.4520 10.0050 10.0245 12.4838 12.5140 12.5551 12.5882 15.5346 15.5518 15.7331 15.7641 k = 0.1667 0.0962-0.0000 ( 3545 PWs) bands (ev): -9.2501 -9.2497 -8.6341 -8.6296 -8.6131 -8.6086 0.9931 1.0536 1.1304 1.1556 1.7192 1.8026 1.9012 1.9474 2.1441 2.1511 2.1843 2.2081 2.3052 2.3319 2.4472 2.6125 3.3916 3.4590 3.4816 3.5211 3.5970 3.6721 3.7120 3.7309 3.9787 3.9949 4.0897 4.1769 4.2870 4.3119 5.0780 5.1421 5.2732 5.3380 5.7454 5.7932 6.2351 6.2638 6.8820 6.9045 7.4425 7.4453 7.8787 7.9563 8.2140 8.2481 8.4154 8.4540 10.0419 10.0581 12.5197 12.5502 12.5995 12.6334 15.5196 15.5369 15.7407 15.7753 k = 0.1765 0.1019-0.0000 ( 3543 PWs) bands (ev): -9.2415 -9.2411 -8.6330 -8.6284 -8.6098 -8.6052 0.9921 1.0531 1.1319 1.1586 1.7293 1.8148 1.9063 1.9505 2.1431 2.1514 2.1882 2.2093 2.3089 2.3371 2.4530 2.6276 3.3907 3.4576 3.4809 3.5252 3.5982 3.6746 3.7205 3.7404 3.9766 3.9952 4.0886 4.1777 4.2893 4.3148 5.0690 5.1341 5.2807 5.3484 5.7190 5.7706 6.2435 6.2732 6.8823 6.9047 7.4286 7.4362 7.8561 7.9400 8.1949 8.2388 8.4218 8.4566 10.0838 10.0966 12.5540 12.5851 12.6429 12.6778 15.5013 15.5210 15.7465 15.7866 k = 0.1863 0.1075-0.0000 ( 3551 PWs) bands (ev): -9.2327 -9.2323 -8.6318 -8.6271 -8.6063 -8.6016 0.9913 1.0524 1.1336 1.1614 1.7395 1.8267 1.9109 1.9532 2.1418 2.1519 2.1921 2.2104 2.3126 2.3420 2.4594 2.6425 3.3902 3.4564 3.4803 3.5293 3.5999 3.6775 3.7294 3.7505 3.9751 3.9961 4.0880 4.1785 4.2921 4.3182 5.0600 5.1259 5.2884 5.3589 5.6959 5.7512 6.2524 6.2833 6.8817 6.9039 7.4079 7.4215 7.8333 7.9233 8.1775 8.2305 8.4282 8.4596 10.1306 10.1400 12.5864 12.6182 12.6848 12.7212 15.4792 15.5037 15.7500 15.7975 k = 0.1961 0.1132-0.0000 ( 3553 PWs) bands (ev): -9.2236 -9.2232 -8.6306 -8.6258 -8.6028 -8.5979 0.9906 1.0518 1.1353 1.1642 1.7497 1.8383 1.9149 1.9555 2.1401 2.1523 2.1963 2.2113 2.3164 2.3466 2.4663 2.6570 3.3902 3.4556 3.4798 3.5334 3.6022 3.6811 3.7384 3.7613 3.9742 3.9975 4.0881 4.1795 4.2954 4.3218 5.0511 5.1178 5.2962 5.3693 5.6759 5.7348 6.2615 6.2944 6.8800 6.9020 7.3810 7.4016 7.8108 7.9068 8.1621 8.2233 8.4340 8.4625 10.1821 10.1883 12.6166 12.6492 12.7250 12.7632 15.4531 15.4842 15.7505 15.8073 k = 0.2059 0.1189-0.0000 ( 3549 PWs) bands (ev): -9.2144 -9.2140 -8.6294 -8.6244 -8.5991 -8.5942 0.9902 1.0510 1.1372 1.1668 1.7596 1.8493 1.9184 1.9573 2.1382 2.1528 2.2008 2.2122 2.3202 2.3509 2.4737 2.6709 3.3905 3.4551 3.4795 3.5375 3.6051 3.6855 3.7476 3.7727 3.9739 3.9995 4.0888 4.1808 4.2992 4.3258 5.0425 5.1099 5.3041 5.3797 5.6588 5.7212 6.2710 6.3067 6.8772 6.8987 7.3488 7.3770 7.7890 7.8909 8.1486 8.2170 8.4389 8.4648 10.2379 10.2412 12.6440 12.6777 12.7632 12.8036 15.4225 15.4615 15.7474 15.8152 k = 0.2157 0.1245-0.0000 ( 3553 PWs) bands (ev): -9.2050 -9.2045 -8.6280 -8.6230 -8.5954 -8.5903 0.9900 1.0502 1.1392 1.1692 1.7691 1.8594 1.9211 1.9588 2.1360 2.1533 2.2055 2.2133 2.3239 2.3547 2.4816 2.6841 3.3911 3.4553 3.4793 3.5415 3.6087 3.6909 3.7567 3.7847 3.9742 4.0019 4.0903 4.1824 4.3036 4.3301 5.0345 5.1025 5.3117 5.3897 5.6445 5.7101 6.2806 6.3203 6.8731 6.8940 7.3116 7.3482 7.7685 7.8758 8.1369 8.2116 8.4424 8.4662 10.2967 10.2992 12.6683 12.7033 12.7991 12.8423 15.3867 15.4345 15.7402 15.8201 k = 0.2255 0.1302-0.0000 ( 3553 PWs) bands (ev): -9.1955 -9.1950 -8.6267 -8.6216 -8.5916 -8.5865 0.9900 1.0493 1.1413 1.1715 1.7780 1.8686 1.9232 1.9598 2.1336 2.1536 2.2104 2.2149 2.3274 2.3582 2.4900 2.6964 3.3920 3.4561 3.4794 3.5453 3.6130 3.6976 3.7659 3.7974 3.9753 4.0048 4.0927 4.1844 4.3084 4.3347 5.0273 5.0959 5.3190 5.3992 5.6327 5.7014 6.2904 6.3354 6.8676 6.8880 7.2704 7.3158 7.7497 7.8619 8.1270 8.2071 8.4443 8.4666 10.3580 10.3625 12.6891 12.7256 12.8328 12.8790 15.3450 15.4020 15.7286 15.8208 k = 0.2353 0.1358-0.0000 ( 3539 PWs) bands (ev): -9.1858 -9.1854 -8.6252 -8.6201 -8.5877 -8.5826 0.9901 1.0484 1.1434 1.1736 1.7861 1.8765 1.9246 1.9604 2.1312 2.1539 2.2150 2.2177 2.3307 2.3611 2.4989 2.7078 3.3931 3.4578 3.4797 3.5490 3.6182 3.7056 3.7749 3.8108 3.9771 4.0079 4.0960 4.1868 4.3138 4.3396 5.0210 5.0901 5.3257 5.4079 5.6235 5.6949 6.3002 6.3520 6.8605 6.8804 7.2258 7.2803 7.7330 7.8493 8.1187 8.2035 8.4444 8.4656 10.4223 10.4296 12.7063 12.7442 12.8641 12.9136 15.2966 15.3630 15.7123 15.8164 k = 0.2451 0.1415-0.0000 ( 3535 PWs) bands (ev): -9.1762 -9.1757 -8.6238 -8.6186 -8.5838 -8.5786 0.9905 1.0474 1.1455 1.1756 1.7933 1.8829 1.9255 1.9605 2.1287 2.1540 2.2181 2.2229 2.3338 2.3636 2.5083 2.7180 3.3943 3.4604 3.4801 3.5525 3.6243 3.7151 3.7836 3.8249 3.9796 4.0113 4.1003 4.1897 4.3197 4.3447 5.0157 5.0855 5.3315 5.4154 5.6168 5.6904 6.3096 6.3699 6.8518 6.8715 7.1785 7.2427 7.7185 7.8381 8.1118 8.2006 8.4427 8.4633 10.4896 10.4996 12.7194 12.7589 12.8929 12.9460 15.2409 15.3165 15.6905 15.8066 k = 0.2549 0.1472-0.0000 ( 3543 PWs) bands (ev): -9.1666 -9.1660 -8.6222 -8.6171 -8.5799 -8.5747 0.9909 1.0464 1.1476 1.1774 1.7994 1.8875 1.9259 1.9601 2.1262 2.1539 2.2211 2.2292 2.3367 2.3656 2.5181 2.7270 3.3955 3.4640 3.4807 3.5559 3.6312 3.7263 3.7921 3.8397 3.9828 4.0150 4.1056 4.1932 4.3261 4.3501 5.0118 5.0821 5.3361 5.4211 5.6129 5.6878 6.3185 6.3891 6.8414 6.8611 7.1293 7.2039 7.7063 7.8285 8.1063 8.1985 8.4390 8.4596 10.5595 10.5721 12.7282 12.7693 12.9193 12.9759 15.1777 15.2618 15.6623 15.7922 k = 0.2647 0.1528-0.0000 ( 3541 PWs) bands (ev): -9.1570 -9.1564 -8.6207 -8.6155 -8.5759 -8.5708 0.9916 1.0455 1.1498 1.1790 1.8044 1.8904 1.9258 1.9590 2.1238 2.1537 2.2246 2.2361 2.3393 2.3672 2.5285 2.7349 3.3967 3.4688 3.4813 3.5591 3.6391 3.7392 3.8004 3.8551 3.9868 4.0188 4.1119 4.1974 4.3331 4.3557 5.0093 5.0800 5.3394 5.4247 5.6118 5.6872 6.3263 6.4091 6.8292 6.8495 7.0793 7.1650 7.6964 7.8202 8.1020 8.1971 8.4336 8.4545 10.6317 10.6467 12.7327 12.7752 12.9434 13.0036 15.1071 15.1984 15.6271 15.7748 k = 0.2745 0.1585-0.0000 ( 3549 PWs) bands (ev): -9.1474 -9.1469 -8.6191 -8.6139 -8.5720 -8.5669 0.9923 1.0445 1.1519 1.1805 1.8081 1.8914 1.9251 1.9573 2.1216 2.1532 2.2286 2.2434 2.3417 2.3683 2.5396 2.7415 3.3980 3.4745 3.4819 3.5623 3.6478 3.7537 3.8082 3.8713 3.9914 4.0229 4.1192 4.2021 4.3407 4.3615 5.0083 5.0794 5.3409 5.4255 5.6139 5.6884 6.3324 6.4292 6.8150 6.8369 7.0294 7.1274 7.6887 7.8134 8.0988 8.1962 8.4264 8.4480 10.7058 10.7232 12.7327 12.7764 12.9650 13.0288 15.0300 15.1266 15.5845 15.7557 k = 0.2843 0.1641-0.0000 ( 3545 PWs) bands (ev): -9.1380 -9.1374 -8.6174 -8.6123 -8.5681 -8.5630 0.9933 1.0436 1.1540 1.1818 1.8106 1.8909 1.9237 1.9549 2.1196 2.1526 2.2331 2.2510 2.3440 2.3689 2.5513 2.7471 3.3992 3.4808 3.4829 3.5654 3.6574 3.7698 3.8159 3.8880 3.9969 4.0272 4.1275 4.2077 4.3488 4.3675 5.0088 5.0803 5.3405 5.4235 5.6191 5.6914 6.3357 6.4481 6.7990 6.8234 6.9812 7.0924 7.6830 7.8079 8.0966 8.1958 8.4175 8.4402 10.7813 10.8010 12.7282 12.7729 12.9843 13.0515 14.9472 15.0471 15.5353 15.7351 k = 0.2941 0.1698-0.0000 ( 3545 PWs) bands (ev): -9.1288 -9.1282 -8.6157 -8.6107 -8.5642 -8.5592 0.9943 1.0427 1.1560 1.1830 1.8118 1.8889 1.9215 1.9519 2.1177 2.1517 2.2378 2.2586 2.3463 2.3692 2.5638 2.7518 3.4005 3.4825 3.4891 3.5687 3.6676 3.7870 3.8235 3.9054 4.0031 4.0317 4.1367 4.2140 4.3574 4.3738 5.0111 5.0826 5.3379 5.4185 5.6272 5.6962 6.3353 6.4638 6.7813 6.8095 6.9361 7.0617 7.6792 7.8037 8.0952 8.1958 8.4071 8.4311 10.8581 10.8799 12.7193 12.7647 13.0013 13.0717 14.8600 14.9614 15.4808 15.7113 k = 0.3039 0.1755-0.0000 ( 3545 PWs) bands (ev): -9.1197 -9.1191 -8.6140 -8.6091 -8.5604 -8.5555 0.9955 1.0419 1.1580 1.1841 1.8120 1.8859 1.9181 1.9483 2.1161 2.1506 2.2426 2.2660 2.3488 2.3692 2.5770 2.7556 3.4019 3.4828 3.4973 3.5720 3.6784 3.8045 3.8318 3.9233 4.0101 4.0365 4.1469 4.2211 4.3665 4.3802 5.0150 5.0865 5.3331 5.4107 5.6379 5.7028 6.3300 6.4735 6.7625 6.7959 6.8966 7.0369 7.6770 7.8007 8.0945 8.1961 8.3954 8.4208 10.9357 10.9595 12.7060 12.7518 13.0161 13.0894 14.7697 14.8709 15.4219 15.6804 k = 0.3137 0.1811-0.0000 ( 3545 PWs) bands (ev): -9.1108 -9.1102 -8.6123 -8.6074 -8.5566 -8.5518 0.9968 1.0411 1.1599 1.1850 1.8111 1.8819 1.9136 1.9442 2.1146 2.1493 2.2474 2.2729 2.3515 2.3688 2.5910 2.7588 3.4034 3.4828 3.5060 3.5756 3.6896 3.8198 3.8432 3.9416 4.0180 4.0416 4.1578 4.2293 4.3761 4.3868 5.0207 5.0919 5.3258 5.4004 5.6508 5.7109 6.3186 6.4735 6.7437 6.7829 6.8654 7.0190 7.6764 7.7987 8.0945 8.1965 8.3824 8.4095 11.0139 11.0396 12.6886 12.7344 13.0285 13.1046 14.6774 14.7773 15.3594 15.6370 k = 0.3235 0.1868-0.0000 ( 3541 PWs) bands (ev): -9.1022 -9.1016 -8.6105 -8.6058 -8.5529 -8.5483 0.9983 1.0403 1.1618 1.1858 1.8092 1.8773 1.9080 1.9397 2.1133 2.1477 2.2520 2.2790 2.3545 2.3684 2.6057 2.7617 3.4051 3.4826 3.5150 3.5793 3.7011 3.8299 3.8603 3.9601 4.0268 4.0470 4.1697 4.2385 4.3861 4.3935 5.0282 5.0986 5.3162 5.3878 5.6653 5.7205 6.3005 6.4606 6.7254 6.7692 6.8470 7.0088 7.6770 7.7977 8.0950 8.1970 8.3683 8.3971 11.0924 11.1198 12.6674 12.7128 13.0388 13.1172 14.5844 14.6822 15.2936 15.5765 k = 0.3333 0.1925-0.0000 ( 3537 PWs) bands (ev): -9.0939 -9.0933 -8.6088 -8.6042 -8.5493 -8.5448 0.9998 1.0397 1.1636 1.1864 1.8066 1.8722 1.9015 1.9348 2.1121 2.1460 2.2564 2.2839 2.3576 2.3682 2.6211 2.7643 3.4068 3.4822 3.5242 3.5833 3.7127 3.8364 3.8813 3.9786 4.0366 4.0527 4.1825 4.2490 4.3965 4.4005 5.0373 5.1067 5.3042 5.3733 5.6812 5.7313 6.2755 6.4344 6.7075 6.7521 6.8453 7.0066 7.6788 7.7975 8.0959 8.1975 8.3533 8.3840 11.1709 11.2000 12.6428 12.6872 13.0467 13.1272 14.4915 14.5870 15.2253 15.4993 k = 0.3431 0.1981-0.0000 ( 3543 PWs) bands (ev): -9.0859 -9.0853 -8.6070 -8.6026 -8.5459 -8.5415 1.0014 1.0390 1.1653 1.1870 1.8033 1.8667 1.8941 1.9295 2.1110 2.1441 2.2604 2.2876 2.3600 2.3690 2.6371 2.7670 3.4088 3.4815 3.5334 3.5874 3.7243 3.8411 3.9040 3.9967 4.0475 4.0588 4.1962 4.2609 4.4068 4.4079 5.0481 5.1158 5.2901 5.3571 5.6980 5.7431 6.2438 6.3972 6.6895 6.7318 6.8588 7.0118 7.6815 7.7981 8.0971 8.1977 8.3375 8.3702 11.2493 11.2798 12.6151 12.6583 13.0523 13.1344 14.3999 14.4927 15.1549 15.4108 k = 0.3529 0.2038-0.0000 ( 3541 PWs) bands (ev): -9.0783 -9.0776 -8.6053 -8.6010 -8.5425 -8.5384 1.0031 1.0384 1.1670 1.1875 1.7995 1.8608 1.8862 1.9240 2.1099 2.1421 2.2639 2.2901 2.3606 2.3717 2.6534 2.7699 3.4108 3.4806 3.5424 3.5918 3.7357 3.8448 3.9270 4.0141 4.0595 4.0656 4.2112 4.2743 4.4146 4.4181 5.0604 5.1255 5.2740 5.3397 5.7154 5.7557 6.2065 6.3522 6.6712 6.7103 6.8827 7.0236 7.6850 7.7994 8.0985 8.1975 8.3213 8.3559 11.3273 11.3589 12.5850 12.6265 13.0554 13.1387 14.3103 14.4004 15.0833 15.3170 k = 0.3627 0.2094-0.0000 ( 3541 PWs) bands (ev): -9.0710 -9.0704 -8.6036 -8.5995 -8.5393 -8.5353 1.0049 1.0379 1.1686 1.1878 1.7952 1.8547 1.8781 1.9182 2.1089 2.1399 2.2671 2.2914 2.3600 2.3756 2.6699 2.7731 3.4130 3.4795 3.5512 3.5962 3.7469 3.8478 3.9497 4.0303 4.0708 4.0747 4.2277 4.2895 4.4220 4.4291 5.0739 5.1350 5.2565 5.3219 5.7330 5.7688 6.1646 6.3025 6.6526 6.6886 6.9132 7.0410 7.6892 7.8011 8.1000 8.1968 8.3048 8.3413 11.4045 11.4371 12.5530 12.5926 13.0559 13.1398 14.2237 14.3109 15.0115 15.2221 k = 0.3725 0.2151-0.0000 ( 3535 PWs) bands (ev): -9.0641 -9.0635 -8.6019 -8.5980 -8.5362 -8.5325 1.0068 1.0374 1.1702 1.1881 1.7907 1.8483 1.8701 1.9121 2.1080 2.1376 2.2698 2.2918 2.3590 2.3796 2.6864 2.7769 3.4153 3.4782 3.5596 3.6007 3.7577 3.8503 3.9713 4.0450 4.0792 4.0883 4.2460 4.3067 4.4294 4.4402 5.0881 5.1427 5.2386 5.3047 5.7507 5.7820 6.1195 6.2502 6.6340 6.6673 6.9477 7.0628 7.6940 7.8033 8.1015 8.1953 8.2883 8.3267 11.4809 11.5139 12.5200 12.5575 13.0534 13.1375 14.1408 14.2250 14.9402 15.1287 k = 0.3824 0.2208-0.0000 ( 3529 PWs) bands (ev): -9.0577 -9.0571 -8.6002 -8.5966 -8.5333 -8.5298 1.0087 1.0370 1.1717 1.1883 1.7861 1.8414 1.8626 1.9059 2.1071 2.1352 2.2720 2.2916 2.3580 2.3832 2.7027 2.7812 3.4177 3.4767 3.5676 3.6052 3.7680 3.8523 3.9914 4.0581 4.0880 4.1030 4.2666 4.3258 4.4368 4.4515 5.1018 5.1455 5.2222 5.2905 5.7680 5.7950 6.0724 6.1969 6.6155 6.6464 6.9844 7.0878 7.6992 7.8057 8.1029 8.1927 8.2724 8.3123 11.5560 11.5890 12.4868 12.5221 13.0477 13.1312 14.0625 14.1432 14.8706 15.0384 k = 0.3922 0.2264-0.0000 ( 3518 PWs) bands (ev): -9.0517 -9.0511 -8.5986 -8.5952 -8.5306 -8.5273 1.0106 1.0366 1.1732 1.1885 1.7814 1.8339 1.8560 1.8997 2.1064 2.1327 2.2739 2.2909 2.3570 2.3861 2.7187 2.7859 3.4201 3.4750 3.5751 3.6095 3.7779 3.8538 4.0094 4.0691 4.0979 4.1174 4.2899 4.3469 4.4442 4.4629 5.1116 5.1396 5.2108 5.2830 5.7843 5.8071 6.0248 6.1438 6.5974 6.6261 7.0222 7.1150 7.7049 7.8083 8.1040 8.1886 8.2575 8.2983 11.6293 11.6616 12.4543 12.4879 13.0382 13.1206 13.9898 14.0663 14.8035 14.9525 k = 0.4020 0.2321-0.0000 ( 3518 PWs) bands (ev): -9.0461 -9.0456 -8.5971 -8.5939 -8.5281 -8.5250 1.0126 1.0362 1.1746 1.1885 1.7769 1.8260 1.8504 1.8934 2.1057 2.1302 2.2753 2.2898 2.3563 2.3880 2.7340 2.7911 3.4227 3.4732 3.5822 3.6137 3.7871 3.8549 4.0254 4.0780 4.1090 4.1309 4.3161 4.3696 4.4515 4.4749 5.1098 5.1260 5.2082 5.2852 5.7989 5.8172 5.9783 6.0921 6.5799 6.6065 7.0601 7.1434 7.7110 7.8108 8.1047 8.1826 8.2443 8.2851 11.7003 11.7310 12.4236 12.4565 13.0243 13.1050 13.9233 13.9950 14.7398 14.8715 k = 0.4118 0.2377-0.0000 ( 3518 PWs) bands (ev): -9.0410 -9.0406 -8.5957 -8.5928 -8.5257 -8.5229 1.0145 1.0357 1.1759 1.1885 1.7726 1.8178 1.8459 1.8871 2.1051 2.1276 2.2764 2.2885 2.3559 2.3890 2.7485 2.7965 3.4253 3.4712 3.5888 3.6175 3.7957 3.8556 4.0394 4.0852 4.1206 4.1431 4.3453 4.3932 4.4586 4.4880 5.0897 5.1095 5.2168 5.2964 5.8095 5.8234 5.9364 6.0435 6.5632 6.5878 7.0973 7.1720 7.7174 7.8131 8.1048 8.1744 8.2332 8.2730 11.7680 11.7959 12.3961 12.4298 13.0056 13.0839 13.8640 13.9298 14.6802 14.7963 k = 0.4216 0.2434-0.0000 ( 3522 PWs) bands (ev): -9.0365 -9.0360 -8.5943 -8.5917 -8.5236 -8.5211 1.0165 1.0353 1.1772 1.1883 1.7687 1.8096 1.8424 1.8809 2.1047 2.1251 2.2772 2.2871 2.3559 2.3891 2.7621 2.8019 3.4279 3.4691 3.5949 3.6209 3.8038 3.8560 4.0516 4.0912 4.1319 4.1539 4.3774 4.4164 4.4657 4.5034 5.0603 5.0860 5.2344 5.3142 5.8085 5.8241 5.9064 6.0003 6.5475 6.5701 7.1331 7.1998 7.7241 7.8150 8.1043 8.1643 8.2244 8.2622 11.8309 11.8547 12.3737 12.4104 12.9813 13.0569 13.8123 13.8715 14.6256 14.7271 k = 0.4314 0.2491-0.0000 ( 3514 PWs) bands (ev): -9.0324 -9.0320 -8.5930 -8.5907 -8.5216 -8.5194 1.0184 1.0348 1.1784 1.1882 1.7652 1.8015 1.8397 1.8749 2.1045 2.1226 2.2777 2.2857 2.3563 2.3884 2.7745 2.8073 3.4306 3.4669 3.6005 3.6238 3.8112 3.8561 4.0622 4.0960 4.1425 4.1630 4.4116 4.4372 4.4729 4.5227 5.0266 5.0564 5.2575 5.3362 5.7850 5.8189 5.8957 5.9667 6.5331 6.5535 7.1671 7.2262 7.7313 7.8162 8.1030 8.1531 8.2177 8.2528 11.8871 11.9052 12.3588 12.4012 12.9511 13.0240 13.7687 13.8204 14.5765 14.6643 k = 0.4412 0.2547-0.0000 ( 3514 PWs) bands (ev): -9.0289 -9.0285 -8.5919 -8.5899 -8.5199 -8.5180 1.0202 1.0343 1.1795 1.1879 1.7624 1.7939 1.8379 1.8691 2.1045 2.1202 2.2780 2.2844 2.3572 2.3870 2.7857 2.8122 3.4332 3.4646 3.6057 3.6261 3.8179 3.8558 4.0715 4.0999 4.1520 4.1704 4.4456 4.4544 4.4820 4.5471 4.9900 5.0227 5.2839 5.3613 5.7480 5.8012 5.8983 5.9466 6.5202 6.5383 7.1985 7.2501 7.7389 7.8165 8.1009 8.1415 8.2127 8.2446 11.9338 11.9453 12.3547 12.4048 12.9148 12.9854 13.7331 13.7768 14.5337 14.6084 k = 0.4510 0.2604-0.0000 ( 3518 PWs) bands (ev): -9.0258 -9.0255 -8.5909 -8.5892 -8.5185 -8.5169 1.0220 1.0337 1.1806 1.1876 1.7603 1.7867 1.8369 1.8636 2.1046 2.1179 2.2782 2.2831 2.3585 2.3849 2.7956 2.8166 3.4359 3.4622 3.6104 3.6278 3.8241 3.8551 4.0795 4.1029 4.1604 4.1763 4.4655 4.4712 4.5026 4.5766 4.9512 4.9865 5.3125 5.3885 5.7070 5.7714 5.9056 5.9385 6.5091 6.5247 7.2269 7.2710 7.7469 7.8156 8.0984 8.1305 8.2094 8.2376 11.9682 11.9743 12.3644 12.4226 12.8726 12.9415 13.7052 13.7407 14.4975 14.5595 k = 0.4608 0.2660-0.0000 ( 3518 PWs) bands (ev): -9.0234 -9.0231 -8.5900 -8.5887 -8.5172 -8.5159 1.0237 1.0331 1.1816 1.1872 1.7590 1.7802 1.8366 1.8585 2.1050 2.1157 2.2783 2.2820 2.3602 2.3824 2.8041 2.8201 3.4387 3.4598 3.6147 3.6288 3.8296 3.8541 4.0865 4.1050 4.1676 4.1807 4.4747 4.4801 4.5391 4.6096 4.9111 4.9486 5.3430 5.4169 5.6661 5.7349 5.9140 5.9370 6.4999 6.5128 7.2519 7.2881 7.7553 7.8133 8.0957 8.1204 8.2077 8.2316 11.9890 11.9936 12.3892 12.4536 12.8252 12.8932 13.6841 13.7117 14.4684 14.5180 k = 0.4706 0.2717-0.0000 ( 3510 PWs) bands (ev): -9.0214 -9.0212 -8.5893 -8.5883 -8.5162 -8.5152 1.0253 1.0323 1.1826 1.1868 1.7585 1.7745 1.8371 1.8538 2.1055 2.1137 2.2784 2.2810 2.3624 2.3796 2.8112 2.8227 3.4414 3.4572 3.6184 3.6292 3.8345 3.8527 4.0923 4.1061 4.1736 4.1837 4.4810 4.4847 4.5803 4.6445 4.8705 4.9097 5.3747 5.4453 5.6277 5.6963 5.9219 5.9378 6.4930 6.5029 7.2730 7.3008 7.7641 7.8096 8.0935 8.1115 8.2074 8.2262 11.9995 12.0043 12.4272 12.4948 12.7742 12.8414 13.6694 13.6895 14.4468 14.4840 k = 0.4804 0.2774-0.0000 ( 3504 PWs) bands (ev): -9.0200 -9.0199 -8.5887 -8.5880 -8.5154 -8.5148 1.0267 1.0314 1.1835 1.1862 1.7588 1.7696 1.8383 1.8495 2.1064 2.1118 2.2785 2.2802 2.3648 2.3766 2.8167 2.8242 3.4441 3.4547 3.6217 3.6290 3.8388 3.8509 4.0972 4.1063 4.1784 4.1852 4.4852 4.4875 4.6224 4.6780 4.8319 4.8709 5.4071 5.4702 5.5957 5.6581 5.9286 5.9387 6.4884 6.4952 7.2899 7.3087 7.7730 7.8045 8.0923 8.1042 8.2084 8.2214 12.0045 12.0086 12.4743 12.5412 12.7221 12.7874 13.6602 13.6733 14.4329 14.4578 k = 0.4902 0.2830-0.0000 ( 3508 PWs) bands (ev): -9.0191 -9.0191 -8.5883 -8.5880 -8.5149 -8.5145 1.0281 1.0304 1.1843 1.1856 1.7601 1.7655 1.8401 1.8458 2.1074 2.1101 2.2787 2.2796 2.3676 2.3736 2.8207 2.8244 3.4467 3.4521 3.6244 3.6280 3.8426 3.8486 4.1010 4.1055 4.1820 4.1854 4.4878 4.4889 4.6629 4.7019 4.8035 4.8341 5.4390 5.4811 5.5805 5.6224 5.9337 5.9387 6.4863 6.4897 7.3021 7.3116 7.7818 7.7979 8.0926 8.0985 8.2105 8.2171 12.0070 12.0093 12.5257 12.5810 12.6791 12.7333 13.6561 13.6625 14.4270 14.4395 k = 0.5000 0.2887-0.0000 ( 3508 PWs) bands (ev): -9.0188 -9.0188 -8.5880 -8.5880 -8.5146 -8.5146 1.0293 1.0293 1.1850 1.1850 1.7623 1.7623 1.8427 1.8427 2.1087 2.1087 2.2791 2.2791 2.3705 2.3705 2.8233 2.8233 3.4494 3.4494 3.6265 3.6265 3.8458 3.8458 4.1037 4.1037 4.1843 4.1843 4.4891 4.4891 4.6956 4.6956 4.8055 4.8055 5.4671 5.4671 5.5930 5.5930 5.9371 5.9371 6.4867 6.4867 7.3094 7.3094 7.7903 7.7903 8.0947 8.0947 8.2135 8.2135 12.0085 12.0085 12.5728 12.5728 12.6859 12.6859 13.6569 13.6569 14.4292 14.4292 k = 0.5000 0.2887-0.0000 ( 3508 PWs) bands (ev): -9.0188 -9.0188 -8.5880 -8.5880 -8.5146 -8.5146 1.0293 1.0293 1.1850 1.1850 1.7623 1.7623 1.8427 1.8427 2.1087 2.1087 2.2791 2.2791 2.3705 2.3705 2.8233 2.8233 3.4494 3.4494 3.6265 3.6265 3.8458 3.8458 4.1037 4.1037 4.1843 4.1843 4.4891 4.4891 4.6956 4.6956 4.8055 4.8055 5.4671 5.4671 5.5930 5.5930 5.9371 5.9371 6.4867 6.4867 7.3094 7.3094 7.7903 7.7903 8.0947 8.0947 8.2135 8.2135 12.0085 12.0085 12.5728 12.5728 12.6859 12.6859 13.6569 13.6569 14.4292 14.4292 k = 0.4944 0.2983-0.0000 ( 3510 PWs) bands (ev): -9.0187 -9.0187 -8.5881 -8.5878 -8.5148 -8.5145 1.0294 1.0294 1.1811 1.1889 1.7623 1.7631 1.8419 1.8447 2.1085 2.1092 2.2760 2.2823 2.3694 2.3719 2.8224 2.8232 3.4450 3.4533 3.6227 3.6297 3.8456 3.8463 4.1013 4.1056 4.1810 4.1861 4.4853 4.4897 4.6858 4.7008 4.8025 4.8174 5.4648 5.4702 5.5893 5.5968 5.9378 5.9399 6.4813 6.4874 7.3063 7.3156 7.7875 7.7926 8.0917 8.0938 8.2118 8.2121 12.0100 12.0123 12.5748 12.5761 12.6865 12.6870 13.6568 13.6585 14.4266 14.4316 k = 0.4889 0.3079-0.0000 ( 3514 PWs) bands (ev): -9.0184 -9.0184 -8.5880 -8.5875 -8.5150 -8.5145 1.0295 1.0295 1.1772 1.1929 1.7629 1.7645 1.8423 1.8478 2.1089 2.1103 2.2732 2.2857 2.3685 2.3735 2.8206 2.8220 3.4401 3.4567 3.6184 3.6323 3.8456 3.8469 4.0983 4.1070 4.1760 4.1866 4.4787 4.4874 4.6743 4.6997 4.8103 4.8354 5.4632 5.4739 5.5861 5.6008 5.9422 5.9462 6.4715 6.4834 7.3064 7.3250 7.7842 7.7946 8.0848 8.0891 8.2073 8.2080 12.0170 12.0214 12.5820 12.5847 12.6887 12.6899 13.6581 13.6615 14.4237 14.4338 k = 0.4833 0.3175-0.0000 ( 3518 PWs) bands (ev): -9.0179 -9.0178 -8.5877 -8.5870 -8.5153 -8.5146 1.0296 1.0296 1.1734 1.1969 1.7641 1.7667 1.8438 1.8519 2.1097 2.1117 2.2706 2.2892 2.3678 2.3753 2.8179 2.8200 3.4349 3.4595 3.6135 3.6343 3.8458 3.8476 4.0945 4.1079 4.1695 4.1860 4.4697 4.4821 4.6624 4.6933 4.8274 4.8575 5.4624 5.4782 5.5834 5.6046 5.9503 5.9557 6.4574 6.4751 7.3090 7.3370 7.7804 7.7963 8.0743 8.0807 8.1999 8.2012 12.0292 12.0358 12.5939 12.5986 12.6926 12.6948 13.6609 13.6659 14.4206 14.4356 k = 0.4778 0.3272-0.0000 ( 3522 PWs) bands (ev): -9.0171 -9.0171 -8.5873 -8.5863 -8.5158 -8.5148 1.0298 1.0299 1.1696 1.2008 1.7660 1.7697 1.8466 1.8570 2.1109 2.1136 2.2682 2.2929 2.3674 2.3772 2.8142 2.8169 3.4292 3.4618 3.6081 3.6357 3.8463 3.8485 4.0899 4.1083 4.1617 4.1847 4.4588 4.4744 4.6507 4.6839 4.8511 4.8828 5.4623 5.4831 5.5815 5.6082 5.9620 5.9682 6.4398 6.4628 7.3135 7.3510 7.7758 7.7977 8.0604 8.0688 8.1901 8.1921 12.0466 12.0554 12.6101 12.6173 12.6984 12.7021 13.6651 13.6717 14.4171 14.4372 k = 0.4722 0.3368-0.0000 ( 3524 PWs) bands (ev): -9.0161 -9.0161 -8.5868 -8.5855 -8.5163 -8.5151 1.0301 1.0302 1.1659 1.2048 1.7685 1.7736 1.8505 1.8630 2.1126 2.1158 2.2661 2.2968 2.3671 2.3794 2.8096 2.8130 3.4232 3.4634 3.6022 3.6367 3.8470 3.8494 4.0845 4.1077 4.1532 4.1830 4.4465 4.4647 4.6392 4.6732 4.8791 4.9107 5.4630 5.4884 5.5805 5.6115 5.9771 5.9836 6.4192 6.4471 7.3187 7.3660 7.7704 7.7989 8.0434 8.0539 8.1781 8.1811 12.0690 12.0799 12.6293 12.6401 12.7066 12.7126 13.6708 13.6789 14.4133 14.4383 k = 0.4667 0.3464-0.0000 ( 3528 PWs) bands (ev): -9.0150 -9.0150 -8.5861 -8.5846 -8.5169 -8.5154 1.0304 1.0305 1.1622 1.2087 1.7715 1.7782 1.8554 1.8698 2.1147 2.1183 2.2644 2.3008 2.3671 2.3817 2.8041 2.8081 3.4169 3.4644 3.5960 3.6370 3.8480 3.8504 4.0781 4.1056 4.1449 4.1811 4.4333 4.4534 4.6277 4.6618 4.9102 4.9406 5.4645 5.4941 5.5804 5.6145 5.9955 6.0016 6.3963 6.4288 7.3237 7.3810 7.7641 7.7998 8.0239 8.0364 8.1645 8.1689 12.0962 12.1093 12.6498 12.6653 12.7186 12.7277 13.6778 13.6873 14.4091 14.4390 k = 0.4611 0.3560-0.0000 ( 3530 PWs) bands (ev): -9.0136 -9.0136 -8.5853 -8.5835 -8.5175 -8.5158 1.0307 1.0309 1.1587 1.2126 1.7752 1.7838 1.8612 1.8772 2.1171 2.1212 2.2630 2.3050 2.3674 2.3840 2.7979 2.8025 3.4104 3.4647 3.5895 3.6369 3.8492 3.8513 4.0710 4.1006 4.1383 4.1793 4.4195 4.4410 4.6162 4.6499 4.9437 4.9724 5.4667 5.5001 5.5815 5.6174 6.0167 6.0218 6.3716 6.4084 7.3270 7.3949 7.7566 7.8003 8.0025 8.0171 8.1496 8.1559 12.1279 12.1431 12.6696 12.6892 12.7378 12.7492 13.6863 13.6970 14.4043 14.4390 k = 0.4556 0.3657-0.0000 ( 3528 PWs) bands (ev): -9.0121 -9.0121 -8.5843 -8.5823 -8.5183 -8.5163 1.0310 1.0314 1.1552 1.2165 1.7795 1.7901 1.8679 1.8850 2.1198 2.1242 2.2621 2.3094 2.3678 2.3865 2.7910 2.7960 3.4037 3.4643 3.5829 3.6364 3.8507 3.8521 4.0631 4.0922 4.1344 4.1777 4.4054 4.4279 4.6044 4.6377 4.9788 5.0056 5.4696 5.5063 5.5836 5.6200 6.0404 6.0441 6.3458 6.3866 7.3277 7.4064 7.7478 7.8000 7.9804 7.9970 8.1340 8.1429 12.1639 12.1813 12.6873 12.7083 12.7673 12.7780 13.6962 13.7080 14.3990 14.4383 k = 0.4500 0.3753-0.0000 ( 3516 PWs) bands (ev): -9.0104 -9.0104 -8.5832 -8.5809 -8.5191 -8.5169 1.0314 1.0319 1.1519 1.2203 1.7843 1.7973 1.8753 1.8933 2.1226 2.1274 2.2618 2.3140 2.3684 2.3889 2.7835 2.7888 3.3969 3.4632 3.5763 3.6354 3.8523 3.8528 4.0549 4.0808 4.1329 4.1763 4.3911 4.4145 4.5925 4.6251 5.0154 5.0401 5.4733 5.5128 5.5869 5.6225 6.0662 6.0680 6.3194 6.3640 7.3245 7.4141 7.7376 7.7980 7.9588 7.9771 8.1184 8.1303 12.2039 12.2234 12.7029 12.7236 12.8055 12.8134 13.7075 13.7202 14.3929 14.4368 k = 0.4444 0.3849-0.0000 ( 3520 PWs) bands (ev): -9.0086 -9.0086 -8.5820 -8.5795 -8.5200 -8.5176 1.0317 1.0324 1.1487 1.2240 1.7896 1.8052 1.8833 1.9019 2.1256 2.1308 2.2620 2.3187 2.3693 2.3913 2.7754 2.7810 3.3900 3.4612 3.5699 3.6340 3.8532 3.8541 4.0465 4.0676 4.1331 4.1753 4.3769 4.4010 4.5802 4.6122 5.0529 5.0755 5.4777 5.5196 5.5914 5.6250 6.0931 6.0936 6.2931 6.3411 7.3164 7.4165 7.7258 7.7929 7.9397 7.9585 8.1033 8.1189 12.2475 12.2692 12.7174 12.7377 12.8494 12.8540 13.7201 13.7336 14.3861 14.4341 k = 0.4389 0.3945-0.0000 ( 3516 PWs) bands (ev): -9.0067 -9.0067 -8.5806 -8.5779 -8.5209 -8.5183 1.0321 1.0329 1.1457 1.2277 1.7955 1.8139 1.8918 1.9106 2.1286 2.1342 2.2629 2.3236 2.3703 2.3937 2.7669 2.7726 3.3832 3.4583 3.5638 3.6323 3.8532 3.8560 4.0381 4.0536 4.1341 4.1746 4.3628 4.3877 4.5677 4.5989 5.0911 5.1117 5.4829 5.5266 5.5969 5.6275 6.1184 6.1218 6.2677 6.3186 7.3030 7.4124 7.7128 7.7833 7.9253 7.9421 8.0894 8.1090 12.2943 12.3183 12.7316 12.7519 12.8971 12.8986 13.7341 13.7481 14.3784 14.4303 k = 0.4333 0.4041-0.0000 ( 3520 PWs) bands (ev): -9.0046 -9.0046 -8.5792 -8.5762 -8.5219 -8.5191 1.0324 1.0334 1.1428 1.2312 1.8018 1.8231 1.9008 1.9193 2.1314 2.1377 2.2645 2.3284 2.3716 2.3958 2.7581 2.7638 3.3764 3.4546 3.5582 3.6304 3.8528 3.8579 4.0300 4.0393 4.1357 4.1742 4.3490 4.3748 4.5551 4.5854 5.1297 5.1484 5.4889 5.5339 5.6035 5.6301 6.1421 6.1499 6.2451 6.2975 7.2837 7.4006 7.6987 7.7680 7.9167 7.9285 8.0772 8.1012 12.3440 12.3704 12.7459 12.7667 12.9459 12.9477 13.7495 13.7638 14.3699 14.4252 k = 0.4278 0.4138-0.0000 ( 3512 PWs) bands (ev): -9.0025 -9.0025 -8.5777 -8.5745 -8.5230 -8.5199 1.0327 1.0339 1.1400 1.2347 1.8085 1.8329 1.9100 1.9280 2.1340 2.1411 2.2669 2.3333 2.3733 2.3978 2.7491 2.7546 3.3698 3.4499 3.5532 3.6281 3.8518 3.8597 4.0225 4.0251 4.1376 4.1741 4.3354 4.3624 4.5424 4.5717 5.1685 5.1854 5.4957 5.5415 5.6112 5.6328 6.1583 6.1760 6.2314 6.2795 7.2586 7.3807 7.6839 7.7477 7.9137 7.9178 8.0672 8.0958 12.3961 12.4250 12.7606 12.7823 12.9952 13.0001 13.7662 13.7806 14.3605 14.4187 k = 0.4222 0.4234-0.0000 ( 3516 PWs) bands (ev): -9.0003 -9.0003 -8.5761 -8.5726 -8.5241 -8.5208 1.0330 1.0343 1.1375 1.2380 1.8155 1.8431 1.9195 1.9366 2.1362 2.1444 2.2700 2.3379 2.3753 2.3996 2.7401 2.7452 3.3633 3.4444 3.5490 3.6257 3.8503 3.8614 4.0114 4.0159 4.1398 4.1744 4.3223 4.3506 4.5297 4.5579 5.2072 5.2224 5.5033 5.5494 5.6200 5.6358 6.1560 6.1945 6.2371 6.2698 7.2279 7.3527 7.6687 7.7240 7.9096 7.9147 8.0599 8.0928 12.4500 12.4818 12.7759 12.7988 13.0457 13.0538 13.7844 13.7986 14.3503 14.4107 k = 0.4167 0.4330-0.0000 ( 3512 PWs) bands (ev): -8.9980 -8.9980 -8.5744 -8.5707 -8.5252 -8.5217 1.0332 1.0347 1.1351 1.2412 1.8227 1.8536 1.9292 1.9450 2.1380 2.1475 2.2740 2.3423 2.3777 2.4010 2.7311 2.7356 3.3572 3.4381 3.5456 3.6231 3.8481 3.8628 3.9984 4.0102 4.1421 4.1751 4.3096 4.3394 4.5171 4.5440 5.2455 5.2593 5.5117 5.5576 5.6298 5.6390 6.1391 6.1967 6.2585 6.2772 7.1921 7.3174 7.6532 7.6985 7.9036 7.9183 8.0553 8.0922 12.5053 12.5403 12.7920 12.8165 13.0965 13.1078 13.8041 13.8177 14.3396 14.4014 k = 0.4111 0.4426-0.0000 ( 3506 PWs) bands (ev): -8.9957 -8.9957 -8.5726 -8.5687 -8.5264 -8.5227 1.0335 1.0351 1.1328 1.2443 1.8301 1.8641 1.9389 1.9532 2.1391 2.1504 2.2788 2.3461 2.3807 2.4021 2.7223 2.7261 3.3514 3.4312 3.5429 3.6203 3.8453 3.8638 3.9864 4.0055 4.1446 4.1762 4.2974 4.3289 4.5048 4.5302 5.2832 5.2956 5.5209 5.5661 5.6407 5.6424 6.1177 6.1856 6.2852 6.2984 7.1517 7.2760 7.6375 7.6725 7.8993 7.9233 8.0532 8.0939 12.5612 12.5997 12.8090 12.8355 13.1470 13.1613 13.8254 13.8382 14.3287 14.3907 k = 0.4056 0.4523-0.0000 ( 3498 PWs) bands (ev): -8.9934 -8.9934 -8.5708 -8.5667 -8.5276 -8.5238 1.0337 1.0355 1.1308 1.2472 1.8375 1.8744 1.9488 1.9613 2.1396 2.1530 2.2842 2.3493 2.3843 2.4029 2.7138 2.7167 3.3461 3.4237 3.5411 3.6174 3.8420 3.8643 3.9755 4.0020 4.1470 4.1776 4.2857 4.3191 4.4929 4.5166 5.3200 5.3312 5.5310 5.5747 5.6463 5.6527 6.0953 6.1698 6.3135 6.3243 7.1076 7.2296 7.6217 7.6470 7.8962 7.9290 8.0534 8.0974 12.6167 12.6590 12.8274 12.8563 13.1962 13.2134 13.8484 13.8600 14.3180 14.3791 k = 0.4000 0.4619-0.0000 ( 3492 PWs) bands (ev): -8.9912 -8.9912 -8.5690 -8.5646 -8.5289 -8.5248 1.0339 1.0358 1.1289 1.2499 1.8448 1.8843 1.9587 1.9693 2.1393 2.1552 2.2902 2.3519 2.3885 2.4033 2.7058 2.7076 3.3412 3.4159 3.5400 3.6143 3.8384 3.8642 3.9660 3.9995 4.1495 4.1794 4.2747 4.3099 4.4814 4.5032 5.3558 5.3658 5.5418 5.5834 5.6504 5.6658 6.0732 6.1531 6.3420 6.3511 7.0606 7.1796 7.6060 7.6226 7.8941 7.9353 8.0553 8.1021 12.6707 12.7168 12.8484 12.8794 13.2435 13.2631 13.8732 13.8832 14.3083 14.3671 k = 0.3944 0.4715-0.0000 ( 3496 PWs) bands (ev): -8.9890 -8.9890 -8.5671 -8.5625 -8.5302 -8.5259 1.0341 1.0360 1.1273 1.2524 1.8520 1.8935 1.9685 1.9775 2.1382 2.1569 2.2967 2.3539 2.3931 2.4034 2.6982 2.6988 3.3368 3.4078 3.5396 3.6111 3.8347 3.8634 3.9580 3.9981 4.1519 4.1817 4.2642 4.3015 4.4705 4.4903 5.3902 5.3991 5.5533 5.5922 5.6550 5.6798 6.0519 6.1366 6.3703 6.3773 7.0114 7.1269 7.5905 7.5998 7.8930 7.9420 8.0581 8.1077 12.7215 12.7696 12.8745 12.9058 13.2878 13.3092 13.9000 13.9079 14.3003 14.3552 k = 0.3889 0.4811-0.0000 ( 3502 PWs) bands (ev): -8.9869 -8.9868 -8.5652 -8.5604 -8.5315 -8.5271 1.0342 1.0362 1.1258 1.2547 1.8590 1.9017 1.9783 1.9858 2.1361 2.1581 2.3036 2.3554 2.3979 2.4032 2.6906 2.6913 3.3331 3.3997 3.5399 3.6078 3.8312 3.8618 3.9516 3.9974 4.1543 4.1842 4.2545 4.2937 4.4602 4.4778 5.4230 5.4307 5.5655 5.6010 5.6601 5.6945 6.0317 6.1207 6.3978 6.4022 6.9610 7.0725 7.5756 7.5789 7.8928 7.9491 8.0613 8.1134 12.7673 12.8129 12.9098 12.9366 13.3282 13.3503 13.9291 13.9343 14.2951 14.3444 k = 0.3833 0.4907-0.0000 ( 3502 PWs) bands (ev): -8.9848 -8.9848 -8.5633 -8.5582 -8.5328 -8.5283 1.0344 1.0363 1.1245 1.2568 1.8658 1.9085 1.9881 1.9945 2.1332 2.1587 2.3106 2.3565 2.4027 2.4028 2.6830 2.6849 3.3300 3.3916 3.5408 3.6044 3.8279 3.8595 3.9465 3.9975 4.1566 4.1871 4.2456 4.2865 4.4507 4.4660 5.4538 5.4603 5.5781 5.6099 5.6657 5.7098 6.0129 6.1055 6.4245 6.4255 6.9101 7.0173 7.5602 7.5616 7.8936 7.9568 8.0643 8.1189 12.8067 12.8443 12.9558 12.9727 13.3636 13.3852 13.9608 13.9627 14.2939 14.3358 k = 0.3778 0.5004-0.0000 ( 3494 PWs) bands (ev): -8.9829 -8.9829 -8.5615 -8.5561 -8.5341 -8.5294 1.0345 1.0363 1.1233 1.2587 1.8722 1.9139 1.9978 2.0036 2.1294 2.1586 2.3177 2.3572 2.4020 2.4076 2.6762 2.6793 3.3276 3.3836 3.5423 3.6009 3.8252 3.8567 3.9427 3.9980 4.1587 4.1901 4.2374 4.2801 4.4421 4.4550 5.4825 5.4876 5.5912 5.6187 5.6719 5.7250 5.9958 6.0910 6.4469 6.4501 6.8598 6.9621 7.5439 7.5487 7.8953 7.9652 8.0667 8.1236 12.8391 12.8673 13.0082 13.0137 13.3930 13.4126 13.9930 13.9954 14.2976 14.3306 k = 0.3722 0.5100-0.0000 ( 3496 PWs) bands (ev): -8.9811 -8.9811 -8.5596 -8.5541 -8.5354 -8.5307 1.0347 1.0364 1.1224 1.2604 1.8783 1.9178 2.0074 2.0131 2.1245 2.1579 2.3247 2.3577 2.4011 2.4121 2.6701 2.6742 3.3259 3.3760 3.5445 3.5973 3.8231 3.8535 3.9400 3.9990 4.1607 4.1931 4.2301 4.2745 4.4343 4.4447 5.5086 5.5121 5.6044 5.6277 5.6789 5.7393 5.9811 6.0771 6.4663 6.4746 6.8109 6.9077 7.5301 7.5370 7.8979 7.9742 8.0680 8.1272 12.8655 12.8857 13.0578 13.0624 13.4155 13.4315 14.0257 14.0336 14.3070 14.3300 k = 0.3667 0.5196-0.0000 ( 3492 PWs) bands (ev): -8.9795 -8.9795 -8.5578 -8.5520 -8.5368 -8.5319 1.0348 1.0364 1.1215 1.2618 1.8840 1.9202 2.0168 2.0227 2.1187 2.1565 2.3314 2.3581 2.4002 2.4163 2.6650 2.6698 3.3249 3.3686 3.5471 3.5936 3.8219 3.8501 3.9382 4.0002 4.1625 4.1961 4.2237 4.2696 4.4274 4.4355 5.5318 5.5335 5.6174 5.6370 5.6865 5.7518 5.9694 6.0636 6.4835 6.4980 6.7646 6.8549 7.5188 7.5269 7.9015 7.9840 8.0680 8.1294 12.8872 12.9013 13.1030 13.1157 13.4303 13.4414 14.0611 14.0755 14.3222 14.3352 k = 0.3611 0.5292-0.0000 ( 3490 PWs) bands (ev): -8.9781 -8.9781 -8.5561 -8.5500 -8.5381 -8.5331 1.0349 1.0363 1.1209 1.2631 1.8894 1.9213 2.0260 2.0322 2.1121 2.1545 2.3376 2.3582 2.3992 2.4199 2.6608 2.6660 3.3248 3.3617 3.5503 3.5899 3.8214 3.8466 3.9369 4.0016 4.1642 4.1988 4.2182 4.2658 4.4216 4.4273 5.5515 5.5517 5.6301 5.6467 5.6947 5.7612 5.9616 6.0504 6.4987 6.5203 6.7219 6.8045 7.5099 7.5182 7.9058 7.9945 8.0666 8.1302 12.9051 12.9148 13.1476 13.1667 13.4369 13.4424 14.0995 14.1216 14.3427 14.3469 k = 0.3556 0.5389-0.0000 ( 3500 PWs) bands (ev): -8.9769 -8.9769 -8.5545 -8.5481 -8.5394 -8.5344 1.0351 1.0362 1.1203 1.2641 1.8944 1.9211 2.0350 2.0413 2.1046 2.1521 2.3433 2.3583 2.3983 2.4230 2.6575 2.6628 3.3253 3.3553 3.5539 3.5861 3.8217 3.8431 3.9361 4.0029 4.1656 4.2010 4.2136 4.2628 4.4167 4.4204 5.5665 5.5674 5.6423 5.6569 5.7031 5.7664 5.9587 6.0373 6.5115 6.5417 6.6844 6.7573 7.5034 7.5111 7.9107 8.0055 8.0636 8.1294 12.9198 12.9263 13.1901 13.2142 13.4353 13.4355 14.1414 14.1720 14.3650 14.3666 k = 0.3500 0.5485-0.0000 ( 3500 PWs) bands (ev): -8.9760 -8.9760 -8.5530 -8.5463 -8.5406 -8.5356 1.0352 1.0361 1.1199 1.2649 1.8991 1.9199 2.0438 2.0496 2.0963 2.1495 2.3482 2.3581 2.3975 2.4254 2.6553 2.6601 3.3267 3.3493 3.5578 3.5822 3.8228 3.8396 3.9356 4.0041 4.1668 4.2027 4.2099 4.2609 4.4129 4.4149 5.5778 5.5793 5.6537 5.6670 5.7109 5.7668 5.9607 6.0240 6.5216 6.5622 6.6536 6.7143 7.4991 7.5055 7.9159 8.0168 8.0594 8.1271 12.9316 12.9358 13.2295 13.2578 13.4215 13.4265 14.1871 14.2263 14.3893 14.3904 k = 0.3444 0.5581-0.0000 ( 3514 PWs) bands (ev): -8.9753 -8.9753 -8.5518 -8.5447 -8.5416 -8.5368 1.0353 1.0360 1.1196 1.2654 1.9034 1.9177 2.0522 2.0567 2.0875 2.1471 2.3521 2.3578 2.3969 2.4271 2.6541 2.6578 3.3287 3.3440 3.5619 3.5783 3.8246 3.8362 3.9353 4.0051 4.1678 4.2038 4.2072 4.2597 4.4101 4.4108 5.5858 5.5872 5.6642 5.6761 5.7173 5.7634 5.9670 6.0109 6.5283 6.5820 6.6315 6.6765 7.4966 7.5013 7.9208 8.0278 8.0541 8.1237 12.9405 12.9429 13.2647 13.2970 13.4028 13.4108 14.2365 14.2834 14.4075 14.4181 k = 0.3389 0.5677-0.0000 ( 3514 PWs) bands (ev): -8.9748 -8.9748 -8.5509 -8.5434 -8.5424 -8.5378 1.0355 1.0358 1.1195 1.2657 1.9075 1.9149 2.0602 2.0621 2.0783 2.1454 2.3549 2.3573 2.3965 2.4281 2.6539 2.6560 3.3315 3.3392 3.5661 3.5743 3.8270 3.8330 3.9352 4.0058 4.1684 4.2045 4.2055 4.2592 4.4084 4.4084 5.5906 5.5915 5.6734 5.6817 5.7213 5.7587 5.9762 5.9981 6.5312 6.6012 6.6195 6.6449 7.4958 7.4983 7.9247 8.0375 8.0486 8.1203 12.9463 12.9473 13.2931 13.3315 13.3831 13.3901 14.2888 14.3367 14.4111 14.4462 k = 0.3333 0.5774-0.0000 ( 3516 PWs) bands (ev): -8.9747 -8.9747 -8.5506 -8.5428 -8.5428 -8.5382 1.0357 1.0357 1.1194 1.2658 1.9114 1.9114 2.0653 2.0653 2.0714 2.1447 2.3565 2.3565 2.3964 2.4285 2.6546 2.6546 3.3350 3.3350 3.5703 3.5703 3.8299 3.8299 3.9352 4.0061 4.1686 4.2048 4.2048 4.2591 4.4077 4.4077 5.5926 5.5926 5.6806 5.6806 5.7225 5.7563 5.9867 5.9867 6.5316 6.6173 6.6173 6.6233 7.4965 7.4965 7.9263 8.0439 8.0439 8.1186 12.9486 12.9486 13.3061 13.3548 13.3719 13.3719 14.3387 14.3387 14.4353 14.4353 k = 0.3333 0.5774-0.0000 ( 3516 PWs) bands (ev): -8.9747 -8.9747 -8.5506 -8.5428 -8.5428 -8.5382 1.0357 1.0357 1.1194 1.2658 1.9114 1.9114 2.0653 2.0653 2.0714 2.1447 2.3565 2.3565 2.3964 2.4285 2.6546 2.6546 3.3350 3.3350 3.5703 3.5703 3.8299 3.8299 3.9352 4.0061 4.1686 4.2048 4.2048 4.2591 4.4077 4.4077 5.5926 5.5926 5.6806 5.6806 5.7225 5.7563 5.9867 5.9867 6.5316 6.6173 6.6173 6.6233 7.4965 7.4965 7.9263 8.0439 8.0439 8.1186 12.9486 12.9486 13.3061 13.3548 13.3719 13.3719 14.3387 14.3387 14.4353 14.4353 k = 0.3277 0.5676-0.0000 ( 3516 PWs) bands (ev): -8.9748 -8.9748 -8.5509 -8.5432 -8.5427 -8.5377 1.0355 1.0359 1.1195 1.2657 1.9074 1.9151 2.0574 2.0662 2.0770 2.1454 2.3553 2.3568 2.3965 2.4281 2.6536 2.6563 3.3315 3.3393 3.5661 3.5742 3.8269 3.8331 3.9352 4.0058 4.1684 4.2049 4.2051 4.2592 4.4081 4.4087 5.5905 5.5917 5.6705 5.6831 5.7222 5.7589 5.9772 5.9971 6.5324 6.6030 6.6222 6.6399 7.4957 7.4984 7.9241 8.0413 8.0444 8.1211 12.9462 12.9469 13.2930 13.3326 13.3810 13.3917 14.2761 14.3173 14.4229 14.4980 k = 0.3220 0.5578-0.0000 ( 3508 PWs) bands (ev): -8.9753 -8.9753 -8.5518 -8.5443 -8.5422 -8.5368 1.0352 1.0361 1.1196 1.2654 1.9030 1.9186 2.0475 2.0646 2.0843 2.1476 2.3538 2.3559 2.3966 2.4271 2.6529 2.6588 3.3285 3.3441 3.5619 3.5778 3.8241 3.8366 3.9351 4.0049 4.1676 4.2049 4.2064 4.2594 4.4095 4.4114 5.5854 5.5882 5.6529 5.6769 5.7237 5.7655 5.9708 6.0063 6.5362 6.5950 6.6318 6.6591 7.4956 7.5013 7.9168 8.0378 8.0423 8.1290 12.9395 12.9405 13.2660 13.3019 13.3989 13.4134 14.1941 14.2207 14.4771 14.5684 k = 0.3164 0.5480-0.0000 ( 3502 PWs) bands (ev): -8.9761 -8.9761 -8.5530 -8.5456 -8.5414 -8.5357 1.0350 1.0363 1.1199 1.2649 1.8983 1.9219 2.0375 2.0611 2.0914 2.1508 2.3520 2.3540 2.3965 2.4256 2.6524 2.6621 3.3263 3.3496 3.5575 3.5807 3.8217 3.8403 3.9347 4.0032 4.1664 4.2047 4.2085 4.2599 4.4119 4.4156 5.5772 5.5820 5.6306 5.6607 5.7284 5.7739 5.9679 6.0139 6.5444 6.5955 6.6445 6.6787 7.4962 7.5049 7.9040 8.0253 8.0472 8.1410 12.9277 12.9287 13.2350 13.2697 13.4159 13.4306 14.1095 14.1239 14.5364 14.6454 k = 0.3107 0.5382-0.0000 ( 3497 PWs) bands (ev): -8.9773 -8.9773 -8.5544 -8.5472 -8.5407 -8.5347 1.0347 1.0366 1.1203 1.2641 1.8935 1.9250 2.0277 2.0560 2.0982 2.1547 2.3497 2.3513 2.3962 2.4235 2.6521 2.6660 3.3246 3.3555 3.5531 3.5828 3.8198 3.8440 3.9341 4.0009 4.1646 4.2041 4.2114 4.2608 4.4151 4.4209 5.5652 5.5730 5.6063 5.6375 5.7348 5.7826 5.9682 6.0197 6.5569 6.6043 6.6596 6.6988 7.4973 7.5090 7.8863 8.0086 8.0553 8.1553 12.9101 12.9107 13.2033 13.2371 13.4287 13.4417 14.0304 14.0360 14.5950 14.7223 k = 0.3051 0.5284-0.0000 ( 3501 PWs) bands (ev): -8.9789 -8.9789 -8.5560 -8.5488 -8.5400 -8.5338 1.0343 1.0369 1.1207 1.2631 1.8886 1.9280 2.0184 2.0500 2.1048 2.1589 2.3471 2.3478 2.3953 2.4209 2.6519 2.6704 3.3236 3.3618 3.5485 3.5839 3.8183 3.8476 3.9330 3.9978 4.1624 4.2029 4.2149 4.2624 4.4191 4.4271 5.5478 5.5606 5.5829 5.6104 5.7415 5.7909 5.9713 6.0243 6.5730 6.6203 6.6769 6.7197 7.4987 7.5136 7.8647 7.9891 8.0658 8.1709 12.8853 12.8857 13.1721 13.2050 13.4350 13.4448 13.9620 13.9625 14.6517 14.8022 k = 0.2994 0.5186-0.0000 ( 3497 PWs) bands (ev): -8.9809 -8.9808 -8.5577 -8.5505 -8.5394 -8.5330 1.0339 1.0373 1.1213 1.2619 1.8838 1.9307 2.0096 2.0434 2.1111 2.1630 2.3437 2.3441 2.3939 2.4180 2.6517 2.6752 3.3231 3.3685 3.5437 3.5840 3.8174 3.8512 3.9314 3.9940 4.1598 4.2008 4.2189 4.2649 4.4238 4.4337 5.5235 5.5430 5.5629 5.5833 5.7483 5.7983 5.9766 6.0281 6.5920 6.6421 6.6964 6.7419 7.5002 7.5184 7.8401 7.9673 8.0780 8.1870 12.8519 12.8537 13.1422 13.1740 13.4328 13.4378 13.9062 13.9105 14.7066 14.8672 k = 0.2938 0.5089-0.0000 ( 3503 PWs) bands (ev): -8.9832 -8.9831 -8.5594 -8.5523 -8.5390 -8.5324 1.0334 1.0376 1.1219 1.2605 1.8791 1.9332 2.0016 2.0365 2.1171 2.1669 2.3391 2.3407 2.3920 2.4148 2.6514 2.6802 3.3231 3.3755 3.5389 3.5830 3.8169 3.8546 3.9293 3.9895 4.1568 4.1978 4.2232 4.2684 4.4289 4.4405 5.4944 5.5179 5.5453 5.5599 5.7547 5.8045 5.9838 6.0319 6.6128 6.6680 6.7183 6.7659 7.5016 7.5233 7.8133 7.9441 8.0913 8.2034 12.8094 12.8131 13.1141 13.1444 13.4196 13.4209 13.8713 13.8774 14.7600 14.9326 k = 0.2881 0.4991-0.0000 ( 3503 PWs) bands (ev): -8.9859 -8.9858 -8.5613 -8.5541 -8.5386 -8.5320 1.0328 1.0380 1.1226 1.2590 1.8746 1.9353 1.9944 2.0295 2.1229 2.1704 2.3341 2.3370 2.3896 2.4113 2.6509 2.6854 3.3236 3.3826 3.5339 3.5810 3.8169 3.8577 3.9267 3.9845 4.1535 4.1939 4.2276 4.2728 4.4343 4.4469 5.4631 5.4867 5.5282 5.5404 5.7609 5.8095 5.9925 6.0361 6.6344 6.6961 6.7426 6.7924 7.5030 7.5282 7.7850 7.9200 8.1053 8.2196 12.7575 12.7635 13.0883 13.1168 13.3919 13.4005 13.8570 13.8634 14.8122 15.0030 k = 0.2825 0.4893-0.0000 ( 3511 PWs) bands (ev): -8.9890 -8.9889 -8.5632 -8.5561 -8.5385 -8.5317 1.0322 1.0385 1.1234 1.2572 1.8703 1.9370 1.9883 2.0226 2.1284 2.1735 2.3288 2.3330 2.3867 2.4076 2.6501 2.6907 3.3245 3.3898 3.5288 3.5778 3.8171 3.8606 3.9236 3.9790 4.1497 4.1892 4.2321 4.2778 4.4399 4.4526 5.4313 5.4529 5.5108 5.5222 5.7667 5.8133 6.0025 6.0410 6.6560 6.7246 6.7690 6.8221 7.5040 7.5332 7.7560 7.8956 8.1196 8.2355 12.6964 12.7046 13.0648 13.0912 13.3589 13.3746 13.8601 13.8661 14.8637 15.0782 k = 0.2768 0.4795-0.0000 ( 3519 PWs) bands (ev): -8.9925 -8.9924 -8.5652 -8.5581 -8.5385 -8.5316 1.0314 1.0390 1.1243 1.2552 1.8663 1.9381 1.9835 2.0160 2.1337 2.1761 2.3232 2.3287 2.3834 2.4038 2.6490 2.6960 3.3258 3.3969 3.5236 3.5738 3.8173 3.8632 3.9202 3.9731 4.1456 4.1838 4.2364 4.2834 4.4453 4.4572 5.4001 5.4185 5.4929 5.5042 5.7723 5.8158 6.0135 6.0470 6.6771 6.7519 6.7973 6.8552 7.5046 7.5381 7.7271 7.8716 8.1341 8.2509 12.6268 12.6369 13.0438 13.0681 13.3247 13.3468 13.8762 13.8819 14.9144 15.1411 k = 0.2712 0.4697-0.0000 ( 3519 PWs) bands (ev): -8.9964 -8.9963 -8.5672 -8.5601 -8.5387 -8.5317 1.0306 1.0395 1.1253 1.2531 1.8626 1.9385 1.9801 2.0096 2.1387 2.1783 2.3175 2.3241 2.3799 2.3999 2.6474 2.7011 3.3273 3.4039 3.5184 3.5690 3.8172 3.8655 3.9167 3.9669 4.1411 4.1778 4.2405 4.2892 4.4504 4.4603 5.3699 5.3849 5.4746 5.4858 5.7776 5.8172 6.0255 6.0541 6.6974 6.7775 6.8266 6.8913 7.5048 7.5429 7.6992 7.8487 8.1485 8.2657 12.5498 12.5615 13.0253 13.0473 13.2921 13.3196 13.9022 13.9077 14.9646 15.2084 k = 0.2655 0.4599-0.0000 ( 3519 PWs) bands (ev): -9.0007 -9.0006 -8.5693 -8.5623 -8.5390 -8.5320 1.0296 1.0401 1.1263 1.2509 1.8594 1.9382 1.9782 2.0037 2.1435 2.1799 2.3115 2.3193 2.3761 2.3960 2.6454 2.7061 3.3290 3.4106 3.5132 3.5637 3.8166 3.8673 3.9131 3.9605 4.1362 4.1713 4.2442 4.2950 4.4549 4.4616 5.3415 5.3526 5.4560 5.4672 5.7827 5.8177 6.0382 6.0621 6.7168 6.8014 6.8561 6.9291 7.5045 7.5476 7.6733 7.8276 8.1628 8.2799 12.4669 12.4796 13.0094 13.0291 13.2625 13.2945 13.9357 13.9410 15.0142 15.2744 k = 0.2599 0.4501-0.0000 ( 3523 PWs) bands (ev): -9.0054 -9.0052 -8.5715 -8.5645 -8.5396 -8.5325 1.0286 1.0407 1.1273 1.2485 1.8565 1.9373 1.9775 1.9981 2.1480 2.1811 2.3054 2.3143 2.3723 2.3921 2.6427 2.7109 3.3307 3.4169 3.5081 3.5580 3.8150 3.8687 3.9098 3.9540 4.1309 4.1645 4.2474 4.3005 4.4586 4.4608 5.3151 5.3220 5.4373 5.4484 5.7876 5.8173 6.0516 6.0710 6.7353 6.8237 6.8849 6.9669 7.5039 7.5522 7.6506 7.8094 8.1768 8.2934 12.3792 12.3927 12.9959 13.0132 13.2361 13.2717 13.9753 13.9806 15.0633 15.3385 k = 0.2542 0.4404-0.0000 ( 3533 PWs) bands (ev): -9.0105 -9.0103 -8.5738 -8.5668 -8.5403 -8.5332 1.0274 1.0414 1.1284 1.2459 1.8540 1.9360 1.9778 1.9931 2.1523 2.1818 2.2992 2.3089 2.3684 2.3883 2.6395 2.7154 3.3326 3.4228 3.5033 3.5520 3.8121 3.8695 3.9070 3.9476 4.1253 4.1573 4.2500 4.3055 4.4578 4.4613 5.2910 5.2935 5.4187 5.4297 5.7924 5.8164 6.0655 6.0807 6.7529 6.8447 6.9120 7.0028 7.5037 7.5568 7.6320 7.7948 8.1903 8.3060 12.2881 12.3019 12.9847 12.9996 13.2129 13.2514 14.0201 14.0255 15.1118 15.4001 k = 0.2486 0.4306-0.0000 ( 3537 PWs) bands (ev): -9.0160 -9.0158 -8.5760 -8.5691 -8.5412 -8.5341 1.0262 1.0421 1.1295 1.2432 1.8519 1.9346 1.9789 1.9885 2.1562 2.1821 2.2929 2.3034 2.3647 2.3846 2.6357 2.7197 3.3343 3.4279 3.4988 3.5461 3.8078 3.8697 3.9049 3.9413 4.1193 4.1498 4.2519 4.3099 4.4525 4.4628 5.2673 5.2693 5.4005 5.4113 5.7970 5.8149 6.0796 6.0909 6.7695 6.8646 6.9365 7.0348 7.5049 7.5614 7.6185 7.7847 8.2033 8.3178 12.1945 12.2085 12.9756 12.9883 13.1925 13.2332 14.0696 14.0751 15.1596 15.4583 k = 0.2429 0.4208-0.0000 ( 3541 PWs) bands (ev): -9.0219 -9.0216 -8.5784 -8.5715 -8.5423 -8.5352 1.0248 1.0428 1.1306 1.2404 1.8501 1.9332 1.9805 1.9845 2.1597 2.1820 2.2866 2.2975 2.3612 2.3811 2.6313 2.7237 3.3359 3.4322 3.4948 3.5403 3.8020 3.8691 3.9033 3.9353 4.1129 4.1422 4.2530 4.3132 4.4450 4.4630 5.2435 5.2498 5.3830 5.3934 5.8013 5.8131 6.0940 6.1015 6.7852 6.8835 6.9579 7.0607 7.5094 7.5662 7.6103 7.7799 8.2157 8.3287 12.0992 12.1132 12.9687 12.9789 13.1743 13.2167 14.1234 14.1289 15.2066 15.5123 k = 0.2373 0.4110-0.0000 ( 3541 PWs) bands (ev): -9.0281 -9.0278 -8.5807 -8.5739 -8.5436 -8.5365 1.0234 1.0435 1.1317 1.2376 1.8487 1.9321 1.9810 1.9822 2.1629 2.1816 2.2803 2.2913 2.3579 2.3778 2.6264 2.7275 3.3373 3.4355 3.4915 3.5349 3.7948 3.8677 3.9024 3.9297 4.1062 4.1344 4.2533 4.3151 4.4357 4.4617 5.2219 5.2324 5.3664 5.3764 5.8054 5.8111 6.1083 6.1123 6.7998 6.9012 6.9757 7.0790 7.5187 7.5711 7.6077 7.7809 8.2274 8.3388 12.0029 12.0167 12.9635 12.9713 13.1581 13.2017 14.1813 14.1868 15.2526 15.5613 k = 0.2316 0.4012-0.0000 ( 3541 PWs) bands (ev): -9.0347 -9.0344 -8.5831 -8.5764 -8.5450 -8.5380 1.0219 1.0442 1.1327 1.2346 1.8475 1.9313 1.9779 1.9840 2.1656 2.1809 2.2741 2.2849 2.3551 2.3747 2.6209 2.7309 3.3384 3.4376 3.4890 3.5299 3.7862 3.8653 3.9017 3.9246 4.0991 4.1266 4.2528 4.3152 4.4250 4.4591 5.2027 5.2168 5.3512 5.3603 5.8087 5.8091 6.1224 6.1233 6.8133 6.9177 6.9899 7.0894 7.5330 7.5763 7.6111 7.7878 8.2383 8.3479 11.9060 11.9195 12.9599 12.9652 13.1434 13.1878 14.2430 14.2485 15.2975 15.6046 k = 0.2260 0.3914-0.0000 ( 3545 PWs) bands (ev): -9.0416 -9.0413 -8.5856 -8.5789 -8.5467 -8.5397 1.0203 1.0450 1.1337 1.2315 1.8466 1.9307 1.9754 1.9858 2.1678 2.1799 2.2680 2.2783 2.3526 2.3718 2.6148 2.7340 3.3392 3.4384 3.4876 3.5255 3.7766 3.8618 3.9012 3.9200 4.0917 4.1186 4.2514 4.3129 4.4139 4.4550 5.1857 5.2026 5.3374 5.3455 5.8061 5.8122 6.1341 6.1363 6.8257 6.9327 7.0009 7.0926 7.5501 7.5820 7.6223 7.8006 8.2484 8.3561 11.8089 11.8221 12.9575 12.9603 13.1298 13.1747 14.3084 14.3138 15.3411 15.6421 k = 0.2203 0.3816-0.0000 ( 3545 PWs) bands (ev): -9.0489 -9.0486 -8.5880 -8.5814 -8.5485 -8.5415 1.0187 1.0457 1.1346 1.2284 1.8458 1.9304 1.9733 1.9873 2.1695 2.1786 2.2620 2.2715 2.3506 2.3690 2.6084 2.7367 3.3397 3.4380 3.4871 3.5219 3.7661 3.8573 3.9006 3.9159 4.0840 4.1105 4.2491 4.3076 4.4034 4.4497 5.1708 5.1894 5.3254 5.3321 5.8033 5.8147 6.1449 6.1496 6.8370 6.9462 7.0092 7.0905 7.5665 7.5882 7.6433 7.8187 8.2577 8.3634 11.7120 11.7248 12.9561 12.9564 13.1169 13.1619 14.3773 14.3825 15.3830 15.6737 k = 0.2147 0.3719-0.0000 ( 3537 PWs) bands (ev): -9.0565 -9.0562 -8.5905 -8.5839 -8.5505 -8.5436 1.0170 1.0464 1.1355 1.2252 1.8450 1.9303 1.9717 1.9885 2.1707 2.1771 2.2562 2.2646 2.3491 2.3665 2.6015 2.7391 3.3398 3.4367 3.4874 3.5189 3.7550 3.8519 3.8996 3.9121 4.0761 4.1025 4.2461 4.2986 4.3942 4.4432 5.1578 5.1768 5.3153 5.3202 5.8000 5.8162 6.1554 6.1623 6.8473 6.9579 7.0157 7.0853 7.5805 7.5951 7.6741 7.8414 8.2661 8.3698 11.6155 11.6278 12.9531 12.9555 13.1047 13.1494 14.4494 14.4544 15.4230 15.6998 k = 0.2090 0.3621-0.0000 ( 3537 PWs) bands (ev): -9.0644 -9.0641 -8.5930 -8.5865 -8.5526 -8.5458 1.0152 1.0472 1.1362 1.2220 1.8442 1.9303 1.9705 1.9893 2.1712 2.1754 2.2507 2.2577 2.3481 2.3640 2.5943 2.7411 3.3397 3.4347 3.4883 3.5168 3.7434 3.8456 3.8981 3.9086 4.0680 4.0944 4.2422 4.2861 4.3868 4.4357 5.1465 5.1648 5.3070 5.3100 5.7964 5.8167 6.1655 6.1742 6.8568 6.9677 7.0211 7.0791 7.5932 7.6028 7.7116 7.8679 8.2735 8.3754 11.5196 11.5314 12.9501 12.9550 13.0926 13.1367 14.5245 14.5291 15.4607 15.7205 k = 0.2034 0.3523-0.0000 ( 3529 PWs) bands (ev): -9.0727 -9.0723 -8.5954 -8.5891 -8.5549 -8.5481 1.0134 1.0478 1.1369 1.2188 1.8433 1.9304 1.9697 1.9897 2.1713 2.1735 2.2456 2.2509 2.3475 2.3617 2.5868 2.7427 3.3393 3.4324 3.4895 3.5153 3.7315 3.8386 3.8958 3.9050 4.0598 4.0864 4.2377 4.2706 4.3811 4.4275 5.1367 5.1532 5.3004 5.3015 5.7922 5.8159 6.1752 6.1852 6.8658 6.9755 7.0261 7.0737 7.6062 7.6113 7.7531 7.8974 8.2801 8.3801 11.4245 11.4357 12.9470 12.9546 13.0804 13.1236 14.6023 14.6064 15.4958 15.7363 k = 0.1977 0.3425-0.0000 ( 3529 PWs) bands (ev): -9.0812 -9.0808 -8.5979 -8.5916 -8.5573 -8.5507 1.0116 1.0485 1.1374 1.2155 1.8420 1.9304 1.9691 1.9894 2.1708 2.1715 2.2408 2.2443 2.3473 2.3594 2.5792 2.7438 3.3389 3.4299 3.4908 3.5145 3.7196 3.8309 3.8926 3.9013 4.0517 4.0783 4.2327 4.2530 4.3766 4.4187 5.1285 5.1421 5.2946 5.2953 5.7875 5.8137 6.1845 6.1953 6.8746 6.9811 7.0315 7.0702 7.6200 7.6207 7.7965 7.9288 8.2858 8.3840 11.3304 11.3409 12.9435 12.9537 13.0680 13.1099 14.6824 14.6858 15.5280 15.7474 k = 0.1921 0.3327-0.0000 ( 3533 PWs) bands (ev): -9.0899 -9.0896 -8.6003 -8.5942 -8.5599 -8.5533 1.0098 1.0491 1.1379 1.2122 1.8404 1.9302 1.9689 1.9884 2.1693 2.1699 2.2365 2.2380 2.3473 2.3571 2.5713 2.7443 3.3384 3.4276 3.4921 3.5143 3.7076 3.8228 3.8884 3.8970 4.0437 4.0704 4.2272 4.2344 4.3727 4.4094 5.1216 5.1315 5.2894 5.2915 5.7821 5.8099 6.1932 6.2043 6.8834 6.9847 7.0377 7.0695 7.6312 7.6351 7.8407 7.9615 8.2906 8.3871 11.2374 11.2473 12.9391 12.9519 13.0550 13.0953 14.7641 14.7667 15.5571 15.7543 k = 0.1864 0.3229-0.0000 ( 3535 PWs) bands (ev): -9.0989 -9.0985 -8.6027 -8.5967 -8.5627 -8.5562 1.0080 1.0496 1.1382 1.2088 1.8383 1.9298 1.9689 1.9867 2.1669 2.1686 2.2321 2.2326 2.3476 2.3548 2.5634 2.7441 3.3380 3.4255 3.4935 3.5146 3.6958 3.8144 3.8829 3.8921 4.0359 4.0625 4.2156 4.2214 4.3692 4.4000 5.1160 5.1216 5.2857 5.2886 5.7762 5.8046 6.2014 6.2123 6.8923 6.9865 7.0453 7.0722 7.6426 7.6516 7.8846 7.9947 8.2946 8.3896 11.1457 11.1548 12.9337 12.9490 13.0412 13.0796 14.8470 14.8486 15.5830 15.7576 k = 0.1808 0.3131-0.0000 ( 3543 PWs) bands (ev): -9.1081 -9.1077 -8.6051 -8.5992 -8.5655 -8.5591 1.0063 1.0501 1.1384 1.2055 1.8356 1.9289 1.9690 1.9842 2.1645 2.1672 2.2267 2.2291 2.3480 2.3525 2.5555 2.7433 3.3378 3.4237 3.4947 3.5152 3.6843 3.8056 3.8762 3.8864 4.0286 4.0548 4.1972 4.2156 4.3656 4.3905 5.1117 5.1126 5.2835 5.2865 5.7696 5.7978 6.2090 6.2193 6.9011 6.9868 7.0548 7.0785 7.6549 7.6693 7.9276 8.0278 8.2980 8.3914 11.0555 11.0638 12.9267 12.9446 13.0265 13.0626 14.9300 14.9305 15.6058 15.7578 k = 0.1751 0.3034-0.0000 ( 3541 PWs) bands (ev): -9.1175 -9.1171 -8.6074 -8.6016 -8.5684 -8.5622 1.0045 1.0506 1.1385 1.2021 1.8322 1.9274 1.9692 1.9810 2.1620 2.1656 2.2218 2.2260 2.3485 2.3501 2.5475 2.7416 3.3379 3.4224 3.4960 3.5160 3.6732 3.7967 3.8683 3.8798 4.0217 4.0473 4.1798 4.2098 4.3621 4.3810 5.1046 5.1085 5.2826 5.2849 5.7627 5.7895 6.2160 6.2254 6.9095 6.9858 7.0669 7.0884 7.6682 7.6882 7.9692 8.0603 8.3007 8.3927 10.9670 10.9743 12.9181 12.9383 13.0106 13.0441 15.0115 15.0122 15.6258 15.7555 k = 0.1695 0.2936-0.0000 ( 3545 PWs) bands (ev): -9.1270 -9.1266 -8.6097 -8.6040 -8.5715 -8.5654 1.0029 1.0510 1.1385 1.1987 1.8281 1.9251 1.9694 1.9772 2.1595 2.1641 2.2174 2.2233 2.3476 2.3488 2.5396 2.7390 3.3384 3.4217 3.4971 3.5170 3.6626 3.7876 3.8591 3.8721 4.0153 4.0400 4.1637 4.2041 4.3583 4.3718 5.0976 5.1064 5.2830 5.2838 5.7555 5.7801 6.2225 6.2305 6.9171 6.9836 7.0820 7.1020 7.6823 7.7080 8.0089 8.0917 8.3030 8.3936 10.8804 10.8866 12.9074 12.9298 12.9933 13.0240 15.0903 15.0924 15.6432 15.7517 k = 0.1638 0.2838-0.0000 ( 3541 PWs) bands (ev): -9.1366 -9.1363 -8.6119 -8.6064 -8.5746 -8.5686 1.0013 1.0513 1.1384 1.1954 1.8231 1.9220 1.9696 1.9727 2.1572 2.1626 2.2135 2.2209 2.3450 2.3490 2.5317 2.7354 3.3393 3.4215 3.4982 3.5180 3.6525 3.7784 3.8490 3.8633 4.0095 4.0330 4.1492 4.1989 4.3544 4.3628 5.0917 5.1054 5.2830 5.2844 5.7483 5.7698 6.2284 6.2348 6.9233 6.9803 7.1005 7.1192 7.6973 7.7287 8.0464 8.1215 8.3049 8.3942 10.7959 10.8010 12.8944 12.9189 12.9745 13.0022 15.1656 15.1692 15.6587 15.7469 k = 0.1582 0.2740-0.0000 ( 3537 PWs) bands (ev): -9.1464 -9.1460 -8.6141 -8.6087 -8.5778 -8.5720 0.9999 1.0516 1.1381 1.1920 1.8174 1.9177 1.9678 1.9696 2.1550 2.1613 2.2100 2.2189 2.3423 2.3489 2.5240 2.7307 3.3407 3.4219 3.4992 3.5189 3.6432 3.7692 3.8379 3.8535 4.0042 4.0264 4.1366 4.1940 4.3504 4.3541 5.0870 5.1055 5.2823 5.2867 5.7413 5.7590 6.2337 6.2382 6.9280 6.9761 7.1225 7.1397 7.7129 7.7499 8.0812 8.1495 8.3066 8.3947 10.7137 10.7176 12.8790 12.9053 12.9540 12.9785 15.2357 15.2408 15.6729 15.7419 k = 0.1525 0.2642-0.0000 ( 3539 PWs) bands (ev): -9.1562 -9.1558 -8.6162 -8.6109 -8.5811 -8.5754 0.9985 1.0519 1.1378 1.1886 1.8108 1.9122 1.9627 1.9695 2.1531 2.1602 2.2069 2.2171 2.3394 2.3485 2.5162 2.7249 3.3426 3.4228 3.5001 3.5195 3.6346 3.7600 3.8261 3.8428 3.9995 4.0202 4.1257 4.1897 4.3458 4.3463 5.0834 5.1065 5.2818 5.2898 5.7351 5.7483 6.2383 6.2408 6.9311 6.9712 7.1477 7.1631 7.7291 7.7715 8.1132 8.1752 8.3083 8.3950 10.6342 10.6367 12.8612 12.8889 12.9316 12.9528 15.2993 15.3058 15.6863 15.7374 k = 0.1469 0.2544-0.0000 ( 3535 PWs) bands (ev): -9.1660 -9.1656 -8.6182 -8.6131 -8.5844 -8.5788 0.9973 1.0522 1.1374 1.1852 1.8035 1.9053 1.9574 1.9691 2.1515 2.1591 2.2041 2.2157 2.3365 2.3478 2.5086 2.7179 3.3450 3.4244 3.5009 3.5197 3.6270 3.7510 3.8138 3.8314 3.9953 4.0145 4.1166 4.1859 4.3379 4.3421 5.0810 5.1083 5.2813 5.2935 5.7299 5.7380 6.2423 6.2426 6.9328 6.9656 7.1755 7.1890 7.7459 7.7932 8.1421 8.1985 8.3102 8.3955 10.5575 10.5585 12.8407 12.8694 12.9073 12.9252 15.3549 15.3627 15.6993 15.7338 k = 0.1412 0.2446-0.0000 ( 3539 PWs) bands (ev): -9.1758 -9.1754 -8.6202 -8.6152 -8.5877 -8.5823 0.9962 1.0524 1.1369 1.1817 1.7955 1.8972 1.9520 1.9684 2.1501 2.1582 2.2016 2.2144 2.3334 2.3466 2.5011 2.7098 3.3478 3.4265 3.5015 3.5196 3.6202 3.7422 3.8014 3.8195 3.9917 4.0094 4.1091 4.1828 4.3305 4.3380 5.0796 5.1109 5.2808 5.2975 5.7261 5.7289 6.2435 6.2456 6.9331 6.9595 7.2055 7.2169 7.7630 7.8148 8.1676 8.2190 8.3124 8.3962 10.4835 10.4841 12.8177 12.8470 12.8809 12.8955 15.4017 15.4108 15.7121 15.7314 k = 0.1356 0.2349-0.0000 ( 3539 PWs) bands (ev): -9.1856 -9.1852 -8.6220 -8.6172 -8.5910 -8.5859 0.9953 1.0526 1.1363 1.1783 1.7869 1.8879 1.9466 1.9674 2.1491 2.1574 2.1992 2.2134 2.3303 2.3451 2.4937 2.7004 3.3510 3.4290 3.5021 3.5190 3.6144 3.7336 3.7888 3.8073 3.9887 4.0048 4.1032 4.1803 4.3235 4.3338 5.0793 5.1143 5.2802 5.3016 5.7214 5.7241 6.2437 6.2482 6.9324 6.9530 7.2367 7.2462 7.7805 7.8361 8.1898 8.2366 8.3152 8.3973 10.4118 10.4143 12.7922 12.8215 12.8523 12.8638 15.4397 15.4499 15.7242 15.7301 k = 0.1299 0.2251-0.0000 ( 3531 PWs) bands (ev): -9.1953 -9.1949 -8.6238 -8.6192 -8.5944 -8.5894 0.9946 1.0528 1.1357 1.1749 1.7777 1.8776 1.9410 1.9661 2.1484 2.1566 2.1968 2.2125 2.3270 2.3431 2.4864 2.6900 3.3545 3.4320 3.5024 3.5179 3.6095 3.7253 3.7765 3.7951 3.9862 4.0008 4.0986 4.1783 4.3171 4.3298 5.0800 5.1182 5.2794 5.3055 5.7163 5.7245 6.2431 6.2500 6.9309 6.9464 7.2685 7.2760 7.7983 7.8570 8.2085 8.2514 8.3186 8.3988 10.3438 10.3483 12.7642 12.7931 12.8216 12.8301 15.4694 15.4810 15.7295 15.7352 k = 0.1243 0.2153-0.0000 ( 3533 PWs) bands (ev): -9.2050 -9.2046 -8.6256 -8.6211 -8.5977 -8.5929 0.9940 1.0530 1.1350 1.1715 1.7681 1.8664 1.9354 1.9644 2.1480 2.1558 2.1945 2.2117 2.3238 2.3407 2.4793 2.6786 3.3583 3.4353 3.5025 3.5164 3.6056 3.7174 3.7644 3.7830 3.9844 3.9975 4.0952 4.1769 4.3112 4.3260 5.0816 5.1226 5.2783 5.3088 5.7142 5.7275 6.2417 6.2510 6.9286 6.9397 7.2999 7.3058 7.8162 7.8772 8.2240 8.2633 8.3227 8.4010 10.2799 10.2866 12.7339 12.7618 12.7887 12.7946 15.4921 15.5053 15.7291 15.7442 k = 0.1186 0.2055-0.0000 ( 3537 PWs) bands (ev): -9.2144 -9.2141 -8.6272 -8.6229 -8.6010 -8.5964 0.9937 1.0532 1.1342 1.1680 1.7582 1.8546 1.9295 1.9623 2.1478 2.1550 2.1922 2.2109 2.3205 2.3379 2.4724 2.6662 3.3623 3.4389 3.5023 3.5145 3.6025 3.7100 3.7528 3.7713 3.9831 3.9948 4.0928 4.1758 4.3058 4.3223 5.0840 5.1274 5.2769 5.3113 5.7157 5.7335 6.2395 6.2511 6.9259 6.9330 7.3300 7.3347 7.8342 7.8966 8.2368 8.2726 8.3273 8.4037 10.2203 10.2293 12.7015 12.7278 12.7538 12.7575 15.5093 15.5244 15.7284 15.7507 k = 0.1130 0.1957-0.0000 ( 3539 PWs) bands (ev): -9.2237 -9.2234 -8.6287 -8.6246 -8.6043 -8.5999 0.9936 1.0533 1.1334 1.1646 1.7481 1.8423 1.9235 1.9597 2.1477 2.1542 2.1897 2.2101 2.3172 2.3347 2.4657 2.6531 3.3664 3.4426 3.5019 3.5124 3.6001 3.7030 3.7417 3.7599 3.9825 3.9928 4.0914 4.1752 4.3010 4.3189 5.0870 5.1324 5.2751 5.3127 5.7213 5.7429 6.2366 6.2505 6.9227 6.9264 7.3580 7.3617 7.8522 7.9150 8.2473 8.2797 8.3325 8.4070 10.1653 10.1768 12.6671 12.6913 12.7171 12.7189 15.5225 15.5396 15.7270 15.7544 k = 0.1073 0.1859-0.0000 ( 3543 PWs) bands (ev): -9.2328 -9.2325 -8.6302 -8.6262 -8.6075 -8.6033 0.9938 1.0535 1.1326 1.1612 1.7380 1.8297 1.9173 1.9568 2.1477 2.1534 2.1872 2.2092 2.3140 2.3312 2.4593 2.6393 3.3706 3.4463 3.5012 3.5101 3.5984 3.6964 3.7313 3.7491 3.9825 3.9915 4.0907 4.1748 4.2967 4.3157 5.0906 5.1376 5.2730 5.3127 5.7315 5.7559 6.2330 6.2489 6.9191 6.9199 7.3827 7.3859 7.8701 7.9324 8.2562 8.2853 8.3380 8.4108 10.1151 10.1293 12.6310 12.6525 12.6787 12.6790 15.5329 15.5522 15.7246 15.7555 k = 0.1017 0.1761-0.0000 ( 3545 PWs) bands (ev): -9.2417 -9.2413 -8.6316 -8.6278 -8.6106 -8.6067 0.9942 1.0537 1.1317 1.1578 1.7279 1.8169 1.9110 1.9534 2.1478 2.1525 2.1846 2.2081 2.3107 2.3273 2.4533 2.6250 3.3748 3.4500 3.5002 3.5078 3.5972 3.6904 3.7215 3.7389 3.9831 3.9909 4.0908 4.1746 4.2930 4.3128 5.0947 5.1428 5.2704 5.3113 5.7465 5.7728 6.2289 6.2466 6.9135 6.9153 7.4032 7.4062 7.8878 7.9486 8.2641 8.2899 8.3440 8.4150 10.0699 10.0869 12.5933 12.6118 12.6382 12.6390 15.5417 15.5629 15.7213 15.7541 k = 0.0960 0.1664-0.0000 ( 3541 PWs) bands (ev): -9.2502 -9.2499 -8.6329 -8.6292 -8.6137 -8.6099 0.9948 1.0538 1.1309 1.1544 1.7179 1.8041 1.9046 1.9497 2.1480 2.1516 2.1819 2.2069 2.3076 2.3232 2.4477 2.6105 3.3790 3.4535 3.4989 3.5055 3.5965 3.6848 3.7124 3.7293 3.9843 3.9910 4.0914 4.1744 4.2900 4.3102 5.0992 5.1480 5.2674 5.3084 5.7665 5.7936 6.2242 6.2436 6.9075 6.9113 7.4184 7.4216 7.9052 7.9636 8.2716 8.2944 8.3506 8.4196 10.0299 10.0495 12.5544 12.5695 12.5967 12.5982 15.5493 15.5723 15.7173 15.7507 k = 0.0904 0.1566-0.0000 ( 3535 PWs) bands (ev): -9.2585 -9.2582 -8.6341 -8.6306 -8.6167 -8.6131 0.9957 1.0540 1.1300 1.1511 1.7082 1.7914 1.8981 1.9456 2.1481 2.1507 2.1790 2.2053 2.3045 2.3189 2.4426 2.5959 3.3831 3.4569 3.4974 3.5034 3.5962 3.6797 3.7041 3.7202 3.9860 3.9917 4.0926 4.1742 4.2875 4.3079 5.1040 5.1531 5.2640 5.3043 5.7914 5.8185 6.2191 6.2397 6.9016 6.9071 7.4274 7.4309 7.9221 7.9774 8.2793 8.2996 8.3580 8.4246 9.9949 10.0173 12.5146 12.5262 12.5547 12.5566 15.5562 15.5808 15.7126 15.7457 k = 0.0847 0.1468-0.0000 ( 3539 PWs) bands (ev): -9.2664 -9.2661 -8.6352 -8.6319 -8.6195 -8.6162 0.9969 1.0541 1.1291 1.1478 1.6988 1.7787 1.8917 1.9410 2.1481 2.1497 2.1762 2.2035 2.3015 2.3145 2.4380 2.5813 3.3871 3.4600 3.4956 3.5014 3.5962 3.6751 3.6965 3.7118 3.9883 3.9929 4.0942 4.1739 4.2855 4.3059 5.1090 5.1580 5.2603 5.2991 5.8211 5.8475 6.2138 6.2353 6.8961 6.9028 7.4291 7.4333 7.9383 7.9902 8.2877 8.3061 8.3664 8.4300 9.9650 9.9899 12.4741 12.4822 12.5124 12.5146 15.5626 15.5887 15.7076 15.7395 k = 0.0791 0.1370-0.0000 ( 3545 PWs) bands (ev): -9.2740 -9.2737 -8.6363 -8.6332 -8.6222 -8.6191 0.9983 1.0542 1.1282 1.1445 1.6899 1.7663 1.8855 1.9361 2.1481 2.1488 2.1732 2.2013 2.2985 2.3099 2.4339 2.5669 3.3911 3.4627 3.4937 3.4996 3.5964 3.6708 3.6896 3.7039 3.9909 3.9947 4.0962 4.1734 4.2842 4.3041 5.1142 5.1626 5.2564 5.2931 5.8552 5.8805 6.2082 6.2303 6.8908 6.8984 7.4232 7.4280 7.9538 8.0019 8.2973 8.3146 8.3757 8.4357 9.9399 9.9671 12.4333 12.4381 12.4702 12.4725 15.5688 15.5959 15.7024 15.7325 k = 0.0734 0.1272-0.0000 ( 3549 PWs) bands (ev): -9.2812 -9.2809 -8.6372 -8.6343 -8.6248 -8.6219 1.0000 1.0542 1.1272 1.1413 1.6816 1.7542 1.8795 1.9308 2.1478 2.1480 2.1704 2.1988 2.2957 2.3055 2.4305 2.5529 3.3950 3.4651 3.4916 3.4980 3.5970 3.6669 3.6833 3.6965 3.9938 3.9969 4.0986 4.1727 4.2833 4.3026 5.1195 5.1670 5.2522 5.2864 5.8934 5.9173 6.2026 6.2248 6.8857 6.8940 7.4092 7.4146 7.9685 8.0127 8.3084 8.3252 8.3859 8.4417 9.9195 9.9487 12.3927 12.3944 12.4284 12.4307 15.5747 15.6028 15.6974 15.7250 k = 0.0678 0.1174-0.0000 ( 3545 PWs) bands (ev): -9.2879 -9.2877 -8.6381 -8.6354 -8.6272 -8.6246 1.0019 1.0541 1.1263 1.1382 1.6738 1.7425 1.8738 1.9253 2.1467 2.1477 2.1676 2.1961 2.2930 2.3011 2.4276 2.5394 3.3988 3.4672 3.4895 3.4967 3.5978 3.6633 3.6777 3.6897 3.9970 3.9994 4.1012 4.1718 4.2829 4.3012 5.1249 5.1710 5.2480 5.2794 5.9355 5.9579 6.1971 6.2189 6.8810 6.8896 7.3873 7.3931 7.9823 8.0227 8.3212 8.3379 8.3969 8.4480 9.9033 9.9341 12.3514 12.3526 12.3874 12.3897 15.5804 15.6091 15.6926 15.7173 k = 0.0621 0.1076-0.0000 ( 3541 PWs) bands (ev): -9.2942 -9.2940 -8.6389 -8.6364 -8.6295 -8.6271 1.0041 1.0540 1.1254 1.1352 1.6667 1.7312 1.8686 1.9194 2.1457 2.1473 2.1651 2.1931 2.2904 2.2969 2.4254 2.5265 3.4026 3.4687 3.4874 3.4954 3.5989 3.6601 3.6728 3.6833 4.0004 4.0022 4.1042 4.1706 4.2830 4.3001 5.1304 5.1748 5.2437 5.2721 5.9810 6.0019 6.1921 6.2128 6.8766 6.8852 7.3578 7.3639 7.9953 8.0317 8.3355 8.3525 8.4083 8.4545 9.8911 9.9230 12.3098 12.3135 12.3476 12.3497 15.5858 15.6149 15.6883 15.7097 k = 0.0565 0.0979-0.0000 ( 3547 PWs) bands (ev): -9.3001 -9.2999 -8.6396 -8.6373 -8.6316 -8.6295 1.0065 1.0537 1.1245 1.1324 1.6604 1.7203 1.8639 1.9134 2.1447 2.1466 2.1629 2.1898 2.2878 2.2929 2.4237 2.5144 3.4063 3.4696 3.4854 3.4943 3.6002 3.6571 3.6684 3.6773 4.0038 4.0052 4.1073 4.1691 4.2833 4.2992 5.1358 5.1782 5.2395 5.2647 6.0292 6.0492 6.1878 6.2066 6.8726 6.8810 7.3213 7.3275 8.0073 8.0400 8.3512 8.3684 8.4200 8.4610 9.8825 9.9148 12.2700 12.2757 12.3094 12.3112 15.5908 15.6201 15.6845 15.7024 k = 0.0508 0.0881-0.0000 ( 3547 PWs) bands (ev): -9.3054 -9.3052 -8.6403 -8.6381 -8.6335 -8.6316 1.0091 1.0532 1.1236 1.1297 1.6549 1.7099 1.8598 1.9072 2.1437 2.1457 2.1611 2.1865 2.2855 2.2893 2.4226 2.5030 3.4100 3.4697 3.4839 3.4934 3.6017 3.6544 3.6645 3.6718 4.0072 4.0082 4.1106 4.1673 4.2840 4.2984 5.1413 5.1813 5.2353 5.2573 6.0788 6.0992 6.1853 6.2006 6.8689 6.8769 7.2787 7.2848 8.0183 8.0474 8.3677 8.3851 8.4317 8.4674 9.8770 9.9090 12.2324 12.2397 12.2731 12.2747 15.5954 15.6246 15.6813 15.6956 k = 0.0452 0.0783-0.0000 ( 3555 PWs) bands (ev): -9.3103 -9.3101 -8.6409 -8.6388 -8.6352 -8.6336 1.0119 1.0525 1.1227 1.1273 1.6502 1.7001 1.8564 1.9009 2.1427 2.1446 2.1597 2.1830 2.2833 2.2860 2.4221 2.4924 3.4138 3.4689 3.4830 3.4925 3.6035 3.6518 3.6612 3.6668 4.0104 4.0111 4.1140 4.1653 4.2848 4.2977 5.1468 5.1840 5.2313 5.2501 6.1255 6.1511 6.1887 6.1953 6.8655 6.8730 7.2310 7.2368 8.0284 8.0538 8.3847 8.4019 8.4429 8.4736 9.8741 9.9051 12.1974 12.2058 12.2392 12.2405 15.5996 15.6283 15.6788 15.6895 k = 0.0395 0.0685-0.0000 ( 3555 PWs) bands (ev): -9.3146 -9.3145 -8.6414 -8.6395 -8.6367 -8.6354 1.0148 1.0516 1.1218 1.1251 1.6464 1.6909 1.8537 1.8946 2.1417 2.1433 2.1588 2.1796 2.2812 2.2831 2.4221 2.4827 3.4175 3.4672 3.4828 3.4917 3.6056 3.6492 3.6584 3.6623 4.0135 4.0140 4.1175 4.1631 4.2858 4.2971 5.1523 5.1864 5.2275 5.2430 6.1524 6.1842 6.2113 6.2146 6.8626 6.8694 7.1790 7.1846 8.0375 8.0594 8.4016 8.4182 8.4535 8.4792 9.8734 9.9027 12.1656 12.1746 12.2082 12.2092 15.6033 15.6310 15.6769 15.6843 k = 0.0339 0.0587-0.0000 ( 3547 PWs) bands (ev): -9.3184 -9.3182 -8.6418 -8.6401 -8.6380 -8.6370 1.0179 1.0504 1.1210 1.1232 1.6436 1.6824 1.8518 1.8884 2.1408 2.1420 2.1583 2.1763 2.2794 2.2805 2.4226 2.4738 3.4213 3.4648 3.4830 3.4910 3.6079 3.6465 3.6560 3.6584 4.0163 4.0166 4.1211 4.1607 4.2868 4.2965 5.1579 5.1886 5.2240 5.2363 6.1576 6.1807 6.2642 6.2657 6.8600 6.8661 7.1240 7.1291 8.0457 8.0641 8.4179 8.4335 8.4631 8.4842 9.8744 9.9013 12.1373 12.1464 12.1804 12.1811 15.6067 15.6325 15.6756 15.6802 k = 0.0282 0.0489-0.0000 ( 3555 PWs) bands (ev): -9.3216 -9.3215 -8.6421 -8.6406 -8.6391 -8.6383 1.0211 1.0489 1.1203 1.1216 1.6417 1.6745 1.8508 1.8824 2.1399 2.1407 2.1581 2.1732 2.2777 2.2784 2.4236 2.4657 3.4250 3.4619 3.4834 3.4902 3.6104 3.6436 3.6540 3.6553 4.0188 4.0189 4.1248 4.1580 4.2879 4.2960 5.1633 5.1904 5.2206 5.2298 6.1575 6.1757 6.3205 6.3228 6.8579 6.8630 7.0672 7.0718 8.0527 8.0679 8.4332 8.4474 8.4714 8.4881 9.8767 9.9004 12.1128 12.1214 12.1562 12.1566 15.6097 15.6328 15.6747 15.6773 k = 0.0226 0.0391-0.0000 ( 3563 PWs) bands (ev): -9.3242 -9.3242 -8.6424 -8.6410 -8.6400 -8.6395 1.0243 1.0471 1.1196 1.1203 1.6408 1.6673 1.8506 1.8766 2.1391 2.1396 2.1583 2.1703 2.2764 2.2767 2.4252 2.4585 3.4289 3.4586 3.4840 3.4895 3.6132 3.6403 3.6524 3.6530 4.0208 4.0209 4.1284 4.1552 4.2890 4.2955 5.1688 5.1919 5.2177 5.2238 6.1567 6.1710 6.3778 6.3798 6.8561 6.8604 7.0101 7.0141 8.0588 8.0707 8.4471 8.4595 8.4783 8.4908 9.8798 9.8996 12.0925 12.1002 12.1358 12.1361 15.6125 15.6320 15.6743 15.6755 k = 0.0169 0.0294-0.0000 ( 3567 PWs) bands (ev): -9.3263 -9.3262 -8.6426 -8.6414 -8.6406 -8.6404 1.0276 1.0449 1.1190 1.1193 1.6409 1.6610 1.8512 1.8712 2.1384 2.1386 2.1587 2.1677 2.2752 2.2754 2.4273 2.4520 3.4327 3.4552 3.4846 3.4888 3.6161 3.6368 3.6512 3.6514 4.0225 4.0225 4.1320 4.1523 4.2901 4.2949 5.1741 5.1928 5.2150 5.2185 6.1561 6.1668 6.4332 6.4347 6.8548 6.8581 6.9551 6.9583 8.0638 8.0726 8.4594 8.4695 8.4834 8.4921 9.8833 9.8987 12.0768 12.0830 12.1197 12.1198 15.6152 15.6303 15.6741 15.6746 k = 0.0113 0.0196-0.0000 ( 3561 PWs) bands (ev): -9.3278 -9.3277 -8.6427 -8.6418 -8.6411 -8.6410 1.0308 1.0425 1.1186 1.1186 1.6419 1.6554 1.8527 1.8663 2.1379 2.1380 2.1595 2.1654 2.2744 2.2745 2.4299 2.4463 3.4365 3.4516 3.4853 3.4881 3.6193 3.6332 3.6503 3.6504 4.0237 4.0237 4.1356 4.1492 4.2911 4.2943 5.1794 5.1928 5.2129 5.2142 6.1560 6.1632 6.4830 6.4838 6.8538 6.8559 6.9061 6.9085 8.0678 8.0736 8.4698 8.4773 8.4867 8.4917 9.8869 9.8975 12.0657 12.0701 12.1080 12.1081 15.6178 15.6281 15.6740 15.6742 k = 0.0056 0.0098-0.0000 ( 3565 PWs) bands (ev): -9.3287 -9.3287 -8.6426 -8.6422 -8.6413 -8.6413 1.0340 1.0399 1.1183 1.1183 1.6439 1.6507 1.8550 1.8619 2.1376 2.1376 2.1605 2.1635 2.2739 2.2739 2.4331 2.4412 3.4403 3.4479 3.4860 3.4874 3.6226 3.6296 3.6498 3.6498 4.0245 4.0245 4.1392 4.1459 4.2920 4.2936 5.1842 5.1914 5.2113 5.2115 6.1567 6.1603 6.5202 6.5205 6.8521 6.8529 6.8711 6.8722 8.0707 8.0736 8.4781 8.4827 8.4880 8.4897 9.8903 9.8957 12.0595 12.0617 12.1009 12.1009 15.6203 15.6255 15.6740 15.6740 k = 0.0000 0.0000 0.0000 ( 3569 PWs) bands (ev): -9.3290 -9.3290 -8.6425 -8.6425 -8.6414 -8.6414 1.0370 1.0370 1.1181 1.1181 1.6468 1.6468 1.8581 1.8581 2.1375 2.1375 2.1618 2.1618 2.2737 2.2737 2.4369 2.4369 3.4442 3.4442 3.4867 3.4867 3.6260 3.6260 3.6496 3.6496 4.0247 4.0247 4.1426 4.1426 4.2929 4.2929 5.1884 5.1884 5.2106 5.2106 6.1581 6.1581 6.5347 6.5347 6.8483 6.8483 6.8611 6.8611 8.0727 8.0727 8.4836 8.4836 8.4878 8.4878 9.8933 9.8933 12.0582 12.0582 12.0986 12.0986 15.6229 15.6229 15.6740 15.6740 k = 0.0000 0.0000 0.0000 ( 3569 PWs) bands (ev): -9.3290 -9.3290 -8.6425 -8.6425 -8.6414 -8.6414 1.0370 1.0370 1.1181 1.1181 1.6468 1.6468 1.8581 1.8581 2.1375 2.1375 2.1618 2.1618 2.2737 2.2737 2.4369 2.4369 3.4442 3.4442 3.4867 3.4867 3.6260 3.6260 3.6496 3.6496 4.0247 4.0247 4.1426 4.1426 4.2929 4.2929 5.1884 5.1884 5.2106 5.2106 6.1581 6.1581 6.5347 6.5347 6.8483 6.8483 6.8611 6.8611 8.0727 8.0727 8.4836 8.4836 8.4878 8.4878 9.8933 9.8933 12.0582 12.0582 12.0986 12.0986 15.6229 15.6229 15.6740 15.6740 k = 0.0000 0.0000 0.0108 ( 3563 PWs) bands (ev): -9.3283 -9.3283 -8.6672 -8.6661 -8.6183 -8.6173 1.0010 1.0722 1.0725 1.1641 1.6357 1.6577 1.8587 1.8593 2.1235 2.1495 2.1592 2.1638 2.2536 2.2979 2.4087 2.4675 3.4404 3.4475 3.4866 3.4870 3.6177 3.6342 3.6372 3.6616 4.0232 4.0260 4.1367 4.1485 4.2900 4.2953 5.1526 5.1780 5.2244 5.2435 6.1338 6.1396 6.5495 6.5582 6.8415 6.8543 6.8574 6.8701 8.0670 8.0792 8.4640 8.4685 8.5021 8.5055 9.8902 9.9003 11.9913 12.0344 12.1217 12.1593 15.4976 15.5465 15.7541 15.8074 k = 0.0000 0.0000 0.0217 ( 3563 PWs) bands (ev): -9.3265 -9.3264 -8.6924 -8.6913 -8.5948 -8.5938 0.9645 1.0276 1.1061 1.2099 1.6244 1.6683 1.8610 1.8625 2.1080 2.1557 2.1594 2.1650 2.2368 2.3260 2.3829 2.5006 3.4360 3.4506 3.4867 3.4872 3.6096 3.6246 3.6417 3.6731 4.0215 4.0271 4.1308 4.1544 4.2866 4.2974 5.1171 5.1458 5.2601 5.2765 6.0779 6.0866 6.5941 6.6089 6.8369 6.8497 6.8685 6.8811 8.0623 8.0866 8.4435 8.4480 8.5193 8.5217 9.8911 9.9113 11.9212 11.9672 12.1815 12.2165 15.3784 15.4252 15.8905 15.9462 k = 0.0000 0.0000 0.0325 ( 3563 PWs) bands (ev): -9.3234 -9.3233 -8.7180 -8.7169 -8.5721 -8.5711 0.9280 0.9835 1.1384 1.2555 1.6128 1.6787 1.8646 1.8678 2.0916 2.1514 2.1657 2.1674 2.2230 2.3580 2.3597 2.5362 3.4306 3.4535 3.4871 3.4872 3.6027 3.6118 3.6482 3.6840 4.0196 4.0281 4.1249 4.1602 4.2828 4.2990 5.0823 5.1144 5.2955 5.3091 6.0051 6.0146 6.6531 6.6718 6.8346 6.8475 6.8815 6.8941 8.0586 8.0951 8.4224 8.4263 8.5350 8.5361 9.8961 9.9262 11.8482 11.8972 12.2375 12.2698 15.2656 15.3104 16.0320 16.0902 k = 0.0000 0.0000 0.0434 ( 3552 PWs) bands (ev): -9.3190 -9.3189 -8.7439 -8.7428 -8.5502 -8.5493 0.8918 0.9406 1.1689 1.3004 1.6010 1.6889 1.8694 1.8753 2.0750 2.1463 2.1657 2.1735 2.2114 2.3388 2.3937 2.5742 3.4238 3.4564 3.4865 3.4882 3.5974 3.5989 3.6532 3.6942 4.0176 4.0289 4.1190 4.1661 4.2784 4.3003 5.0484 5.0839 5.3301 5.3414 5.9241 5.9333 6.7165 6.7381 6.8347 6.8476 6.8962 6.9088 8.0563 8.1049 8.4009 8.4037 8.5486 8.5491 9.9053 9.9449 11.7727 11.8247 12.2893 12.3190 15.1597 15.2024 16.1779 16.2388 k = 0.0000 0.0000 0.0542 ( 3552 PWs) bands (ev): -9.3134 -9.3132 -8.7700 -8.7690 -8.5293 -8.5284 0.8562 0.8991 1.1973 1.3444 1.5891 1.6988 1.8751 1.8848 2.0587 2.1404 2.1651 2.1777 2.2018 2.3203 2.4326 2.6146 3.4154 3.4592 3.4854 3.4895 3.5861 3.5944 3.6568 3.7036 4.0156 4.0296 4.1131 4.1720 4.2735 4.3011 5.0157 5.0547 5.3638 5.3729 5.8391 5.8475 6.7793 6.8033 6.8372 6.8501 6.9124 6.9251 8.0557 8.1164 8.3793 8.3802 8.5590 8.5614 9.9186 9.9673 11.6949 11.7500 12.3368 12.3640 15.0608 15.1014 16.3280 16.3918 k = 0.0000 0.0000 0.0651 ( 3540 PWs) bands (ev): -9.3066 -9.3064 -8.7963 -8.7952 -8.5093 -8.5084 0.8218 0.8594 1.2235 1.3871 1.5770 1.7084 1.8814 1.8962 2.0432 2.1338 2.1640 2.1787 2.1953 2.3041 2.4745 2.6573 3.4049 3.4618 3.4838 3.4914 3.5735 3.5939 3.6585 3.7122 4.0137 4.0303 4.1072 4.1778 4.2679 4.3016 4.9846 5.0269 5.3963 5.4035 5.7525 5.7597 6.8378 6.8421 6.8556 6.8644 6.9298 6.9431 8.0572 8.1300 8.3562 8.3582 8.5673 8.5717 9.9362 9.9935 11.6150 11.6733 12.3799 12.4046 14.9693 15.0077 16.4816 16.5487 k = 0.0000 0.0000 0.0759 ( 3540 PWs) bands (ev): -9.2986 -9.2983 -8.8226 -8.8216 -8.4905 -8.4896 0.7887 0.8216 1.2476 1.4284 1.5648 1.7176 1.8881 1.9093 2.0286 2.1265 2.1624 2.1746 2.1936 2.2900 2.5189 2.7023 3.3922 3.4640 3.4821 3.4937 3.5612 3.5958 3.6585 3.7197 4.0121 4.0310 4.1013 4.1837 4.2616 4.3016 4.9554 5.0008 5.4274 5.4329 5.6659 5.6716 6.8493 6.8607 6.8940 6.9189 6.9483 6.9632 8.0609 8.1460 8.3318 8.3378 8.5734 8.5800 9.9580 10.0232 11.5335 11.5951 12.4186 12.4409 14.8853 14.9215 16.6383 16.7090 k = 0.0000 0.0000 0.0867 ( 3546 PWs) bands (ev): -9.2893 -9.2890 -8.8490 -8.8479 -8.4728 -8.4720 0.7573 0.7860 1.2694 1.4679 1.5526 1.7264 1.8950 1.9238 2.0153 2.1190 2.1601 2.1674 2.1947 2.2778 2.5655 2.7494 3.3772 3.4654 3.4804 3.4967 3.5494 3.5999 3.6565 3.7261 4.0108 4.0318 4.0954 4.1896 4.2545 4.3012 4.9284 4.9767 5.4569 5.4610 5.5805 5.5844 6.8587 6.8699 6.9417 6.9620 6.9675 6.9886 8.0671 8.1647 8.3072 8.3191 8.5769 8.5861 9.9842 10.0566 11.4507 11.5156 12.4527 12.4727 14.8089 14.8429 16.7975 16.8723 k = 0.0000 0.0000 0.0976 ( 3564 PWs) bands (ev): -9.2790 -9.2786 -8.8752 -8.8742 -8.4564 -8.4557 0.7278 0.7528 1.2892 1.5054 1.5403 1.7345 1.9019 1.9393 2.0032 2.1113 2.1573 2.1593 2.1963 2.2672 2.6140 2.7983 3.3602 3.4658 3.4789 3.5005 3.5381 3.6058 3.6527 3.7312 4.0102 4.0329 4.0896 4.1955 4.2465 4.3004 4.9040 4.9548 5.4841 5.4875 5.4975 5.4988 6.8701 6.8808 6.9827 6.9872 6.9896 7.0224 8.0754 8.1863 8.2827 8.3027 8.5780 8.5898 10.0146 10.0936 11.3668 11.4352 12.4825 12.5002 14.7403 14.7718 16.9586 17.0380 k = 0.0000 0.0000 0.1084 ( 3576 PWs) bands (ev): -9.2674 -9.2670 -8.9012 -8.9002 -8.4413 -8.4406 0.7005 0.7221 1.3072 1.5282 1.5408 1.7420 1.9085 1.9555 1.9925 2.1040 2.1509 2.1538 2.1979 2.2580 2.6638 2.8489 3.3414 3.4645 3.4776 3.5050 3.5276 3.6131 3.6472 3.7350 4.0103 4.0343 4.0838 4.2015 4.2375 4.2990 4.8825 4.9354 5.4157 5.4164 5.5104 5.5121 6.8835 6.8935 7.0069 7.0103 7.0163 7.0548 8.0851 8.2107 8.2586 8.2901 8.5764 8.5910 10.0494 10.1342 11.2823 11.3541 12.5079 12.5235 14.6794 14.7084 17.1209 17.2054 k = 0.0000 0.0000 0.1193 ( 3576 PWs) bands (ev): -9.2547 -9.2543 -8.9270 -8.9260 -8.4276 -8.4270 0.6756 0.6941 1.3237 1.5161 1.5740 1.7486 1.9149 1.9721 1.9830 2.0971 2.1425 2.1497 2.1994 2.2501 2.7145 2.9007 3.3208 3.4611 3.4766 3.5103 3.5179 3.6216 3.6401 3.7373 4.0113 4.0364 4.0782 4.2076 4.2273 4.2971 4.8644 4.9188 5.3359 5.3396 5.5338 5.5348 6.8986 6.9078 7.0264 7.0288 7.0425 7.0809 8.0946 8.2351 8.2377 8.2830 8.5720 8.5896 10.0886 10.1783 11.1974 11.2728 12.5294 12.5429 14.6262 14.6524 17.2835 17.3739 k = 0.0000 0.0000 0.1301 ( 3564 PWs) bands (ev): -9.2409 -9.2405 -8.9525 -8.9515 -8.4153 -8.4148 0.6534 0.6690 1.3387 1.5041 1.6046 1.7541 1.9207 1.9749 1.9887 2.0911 2.1342 2.1449 2.2007 2.2430 2.7656 2.9533 3.2986 3.4551 3.4758 3.5091 3.5164 3.6309 3.6317 3.7380 4.0133 4.0392 4.0726 4.2138 4.2160 4.2947 4.8501 4.9054 5.2602 5.2673 5.5549 5.5553 6.9152 6.9234 7.0452 7.0453 7.0615 7.1000 8.1021 8.2126 8.2669 8.2830 8.5649 8.5856 10.1322 10.2259 11.1127 11.1916 12.5471 12.5586 14.5804 14.6038 17.4456 17.5426 k = 0.0000 0.0000 0.1410 ( 3570 PWs) bands (ev): -9.2261 -9.2256 -8.9775 -8.9766 -8.4046 -8.4041 0.6338 0.6469 1.3527 1.4922 1.6327 1.7583 1.9260 1.9680 2.0051 2.0862 2.1260 2.1394 2.2020 2.2368 2.8165 3.0062 3.2748 3.4458 3.4752 3.5012 3.5230 3.6224 3.6408 3.7371 4.0162 4.0433 4.0672 4.2034 4.2201 4.2916 4.8399 4.8955 5.1891 5.2001 5.5735 5.5735 6.9330 6.9400 7.0592 7.0632 7.0737 7.1129 8.1063 8.1914 8.2913 8.2977 8.5549 8.5788 10.1800 10.2770 11.0283 11.1106 12.5614 12.5710 14.5418 14.5622 17.6060 17.7104 k = 0.0000 0.0000 0.1518 ( 3570 PWs) bands (ev): -9.2101 -9.2096 -9.0021 -9.0012 -8.3954 -8.3950 0.6172 0.6279 1.3658 1.4805 1.6581 1.7609 1.9306 1.9622 2.0210 2.0826 2.1180 2.1331 2.2033 2.2313 2.8667 3.0588 3.2493 3.4326 3.4747 3.4945 3.5300 3.6127 3.6511 3.7346 4.0196 4.0491 4.0620 4.1896 4.2266 4.2880 4.8344 4.8895 5.1235 5.1389 5.5891 5.5894 6.9518 6.9575 7.0698 7.0796 7.0797 7.1208 8.1072 8.1719 8.3072 8.3294 8.5419 8.5691 10.2322 10.3315 10.9446 11.0304 12.5727 12.5805 14.5102 14.5274 17.7636 17.8761 k = 0.0000 0.0000 0.1627 ( 3570 PWs) bands (ev): -9.1932 -9.1926 -9.0262 -9.0254 -8.3878 -8.3875 0.6036 0.6120 1.3781 1.4690 1.6807 1.7617 1.9346 1.9574 2.0362 2.0804 2.1104 2.1260 2.2046 2.2265 2.9156 3.1106 3.2220 3.4149 3.4744 3.4888 3.5372 3.6030 3.6616 3.7306 4.0234 4.0569 4.0569 4.1746 4.2333 4.2837 4.8341 4.8879 5.0638 5.0840 5.6022 5.6025 6.9711 6.9754 7.0755 7.0803 7.0943 7.1254 8.1061 8.1543 8.3291 8.3612 8.5262 8.5565 10.2885 10.3892 10.8622 10.9512 12.5814 12.5875 14.4851 14.4991 17.9169 18.0379 k = 0.0000 0.0000 0.1735 ( 3564 PWs) bands (ev): -9.1753 -9.1747 -9.0497 -9.0489 -8.3819 -8.3816 0.5932 0.5993 1.3900 1.4576 1.7005 1.7605 1.9379 1.9536 2.0507 2.0797 2.1032 2.1180 2.2061 2.2222 2.9627 3.1607 3.1926 3.3924 3.4743 3.4842 3.5447 3.5936 3.6721 3.7252 4.0272 4.0521 4.0670 4.1587 4.2401 4.2787 4.8393 4.8910 5.0106 5.0359 5.6125 5.6128 6.9905 6.9934 7.0754 7.0762 7.1068 7.1284 8.1047 8.1391 8.3548 8.3925 8.5076 8.5410 10.3488 10.4502 10.7813 10.8734 12.5878 12.5924 14.4665 14.4770 18.0644 18.1936 k = 0.0000 0.0000 0.1843 ( 3564 PWs) bands (ev): -9.1564 -9.1558 -9.0726 -9.0718 -8.3776 -8.3774 0.5859 0.5900 1.4015 1.4463 1.7174 1.7571 1.9407 1.9504 2.0643 2.0805 2.0967 2.1092 2.2079 2.2184 3.0076 3.1609 3.2086 3.3648 3.4745 3.4807 3.5523 3.5846 3.6825 3.7185 4.0310 4.0475 4.0792 4.1421 4.2470 4.2732 4.8507 4.8994 4.9644 4.9949 5.6199 5.6202 7.0096 7.0110 7.0682 7.0695 7.1168 7.1302 8.1043 8.1265 8.3822 8.4227 8.4863 8.5226 10.4129 10.5142 10.7023 10.7971 12.5923 12.5953 14.4539 14.4610 18.2043 18.3404 k = 0.0000 0.0000 0.1952 ( 3540 PWs) bands (ev): -9.1367 -9.1360 -9.0947 -9.0939 -8.3750 -8.3749 0.5820 0.5840 1.4128 1.4351 1.7315 1.7512 1.9432 1.9478 2.0770 2.0827 2.0910 2.0994 2.2099 2.2151 3.0500 3.1267 3.2536 3.3322 3.4751 3.4780 3.5601 3.5761 3.6925 3.7107 4.0349 4.0431 4.0934 4.1254 4.2539 4.2671 4.8686 4.9135 4.9253 4.9609 5.6245 5.6246 7.0279 7.0279 7.0571 7.0588 7.1241 7.1306 8.1058 8.1167 8.4100 8.4512 8.4627 8.5014 10.4807 10.5812 10.6257 10.7229 12.5953 12.5968 14.4471 14.4507 18.3351 18.4744 k = 0.0000 0.0000 0.2060 ( 3540 PWs) bands (ev): -9.1161 -9.1161 -9.1153 -9.1153 -8.3741 -8.3741 0.5813 0.5813 1.4240 1.4240 1.7427 1.7427 1.9455 1.9455 2.0862 2.0862 2.0887 2.0887 2.2123 2.2123 3.0897 3.0897 3.2950 3.2950 3.4762 3.4762 3.5680 3.5680 3.7019 3.7019 4.0389 4.0389 4.1089 4.1089 4.2606 4.2606 4.8934 4.8934 4.9339 4.9339 5.6260 5.6260 7.0434 7.0434 7.0445 7.0445 7.1287 7.1287 8.1098 8.1098 8.4371 8.4371 8.4775 8.4775 10.5517 10.5517 10.6508 10.6508 12.5967 12.5967 14.4461 14.4461 18.4552 18.4552 k = 0.0000 0.0000 0.2060 ( 3540 PWs) bands (ev): -9.1161 -9.1161 -9.1153 -9.1153 -8.3741 -8.3741 0.5813 0.5813 1.4240 1.4240 1.7427 1.7427 1.9455 1.9455 2.0862 2.0862 2.0887 2.0887 2.2123 2.2123 3.0897 3.0897 3.2950 3.2950 3.4762 3.4762 3.5680 3.5680 3.7019 3.7019 4.0389 4.0389 4.1089 4.1089 4.2606 4.2606 4.8934 4.8934 4.9339 4.9339 5.6260 5.6260 7.0434 7.0434 7.0445 7.0445 7.1287 7.1287 8.1098 8.1098 8.4371 8.4371 8.4775 8.4775 10.5517 10.5517 10.6508 10.6508 12.5967 12.5967 14.4461 14.4461 18.4552 18.4552 k = 0.0098 0.0057 0.2060 ( 3548 PWs) bands (ev): -9.1159 -9.1159 -9.1152 -9.1150 -8.3741 -8.3741 0.5814 0.5819 1.4243 1.4243 1.7384 1.7472 1.9444 1.9470 2.0834 2.0848 2.0908 2.0914 2.2118 2.2129 3.0825 3.0964 3.2950 3.2950 3.4709 3.4819 3.5677 3.5677 3.7017 3.7020 4.0372 4.0404 4.1020 4.1158 4.2608 4.2608 4.8933 4.8934 4.9322 4.9366 5.6247 5.6281 7.0347 7.0399 7.0446 7.0501 7.1259 7.1349 8.0971 8.1198 8.4261 8.4468 8.4776 8.4787 10.5527 10.5528 10.6511 10.6523 12.6008 12.6015 14.4449 14.4457 18.4481 18.4488 k = 0.0196 0.0113 0.2060 ( 3556 PWs) bands (ev): -9.1152 -9.1152 -9.1146 -9.1142 -8.3742 -8.3742 0.5822 0.5831 1.4252 1.4252 1.7343 1.7518 1.9438 1.9490 2.0800 2.0828 2.0941 2.0952 2.2114 2.2135 3.0749 3.1024 3.2947 3.2949 3.4661 3.4878 3.5668 3.5669 3.7014 3.7019 4.0354 4.0416 4.0951 4.1226 4.2613 4.2613 4.8927 4.8935 4.9320 4.9402 5.6242 5.6310 7.0228 7.0333 7.0426 7.0512 7.1277 7.1434 8.0822 8.1262 8.4161 8.4499 8.4774 8.4859 10.5560 10.5561 10.6532 10.6557 12.6138 12.6151 14.4420 14.4438 18.4265 18.4313 k = 0.0294 0.0170 0.2060 ( 3552 PWs) bands (ev): -9.1142 -9.1140 -9.1134 -9.1128 -8.3744 -8.3743 0.5836 0.5850 1.4268 1.4268 1.7305 1.7566 1.9437 1.9516 2.0769 2.0812 2.0978 2.0993 2.2110 2.2143 3.0669 3.1077 3.2942 3.2950 3.4617 3.4940 3.5653 3.5657 3.7009 3.7016 4.0335 4.0426 4.0884 4.1291 4.2622 4.2622 4.8915 4.8939 4.9335 4.9444 5.6246 5.6347 7.0094 7.0242 7.0379 7.0478 7.1336 7.1533 8.0661 8.1284 8.4074 8.4448 8.4768 8.4996 10.5614 10.5617 10.6572 10.6611 12.6355 12.6375 14.4376 14.4402 18.3912 18.4049 k = 0.0392 0.0226 0.2060 ( 3556 PWs) bands (ev): -9.1128 -9.1125 -9.1117 -9.1109 -8.3746 -8.3745 0.5856 0.5875 1.4289 1.4290 1.7269 1.7615 1.9439 1.9546 2.0741 2.0801 2.1019 2.1035 2.2108 2.2152 3.0586 3.1123 3.2934 3.2951 3.4578 3.5002 3.5633 3.5642 3.7003 3.7013 4.0316 4.0431 4.0821 4.1354 4.2633 4.2635 4.8894 4.8946 4.9369 4.9491 5.6258 5.6391 6.9950 7.0129 7.0308 7.0408 7.1425 7.1640 8.0492 8.1265 8.3991 8.4347 8.4768 8.5163 10.5691 10.5697 10.6633 10.6688 12.6654 12.6682 14.4316 14.4351 18.3436 18.3708 k = 0.0490 0.0283 0.2060 ( 3558 PWs) bands (ev): -9.1111 -9.1105 -9.1094 -9.1085 -8.3748 -8.3747 0.5882 0.5906 1.4316 1.4317 1.7237 1.7665 1.9444 1.9580 2.0718 2.0795 2.1063 2.1077 2.2105 2.2161 3.0501 3.1160 3.2921 3.2954 3.4546 3.5062 3.5609 3.5624 3.6996 3.7009 4.0296 4.0432 4.0764 4.1413 4.2647 4.2651 4.8866 4.8956 4.9420 4.9544 5.6278 5.6441 6.9798 6.9997 7.0216 7.0314 7.1531 7.1753 8.0321 8.1206 8.3895 8.4209 8.4786 8.5339 10.5790 10.5802 10.6716 10.6790 12.7033 12.7068 14.4240 14.4285 18.2849 18.3297 k = 0.0588 0.0340 0.2060 ( 3558 PWs) bands (ev): -9.1089 -9.1082 -9.1066 -9.1056 -8.3751 -8.3750 0.5915 0.5942 1.4349 1.4350 1.7207 1.7716 1.9451 1.9618 2.0700 2.0793 2.1110 2.1120 2.2104 2.2172 3.0416 3.1188 3.2904 3.2958 3.4519 3.5119 3.5584 3.5605 3.6988 3.7005 4.0278 4.0427 4.0715 4.1468 4.2663 4.2670 4.8834 4.8968 4.9486 4.9603 5.6307 5.6498 6.9642 6.9848 7.0107 7.0200 7.1645 7.1869 8.0151 8.1114 8.3767 8.4038 8.4829 8.5515 10.5915 10.5933 10.6824 10.6917 12.7487 12.7530 14.4148 14.4203 18.2159 18.2817 k = 0.0686 0.0396 0.2060 ( 3562 PWs) bands (ev): -9.1064 -9.1056 -9.1033 -9.1021 -8.3755 -8.3753 0.5952 0.5984 1.4386 1.4389 1.7181 1.7768 1.9459 1.9658 2.0688 2.0797 2.1157 2.1165 2.2103 2.2185 3.0329 3.1206 3.2882 3.2965 3.4499 3.5167 3.5563 3.5585 3.6979 3.7001 4.0260 4.0414 4.0676 4.1519 4.2681 4.2692 4.8797 4.8980 4.9565 4.9667 5.6344 5.6561 6.9482 6.9686 6.9986 7.0072 7.1764 7.1988 7.9984 8.0997 8.3599 8.3835 8.4900 8.5685 10.6066 10.6091 10.6957 10.7072 12.8010 12.8061 14.4040 14.4107 18.1374 18.2268 k = 0.0784 0.0453 0.2060 ( 3556 PWs) bands (ev): -9.1035 -9.1026 -9.0994 -9.0981 -8.3759 -8.3757 0.5995 0.6031 1.4429 1.4433 1.7158 1.7820 1.9468 1.9701 2.0684 2.0806 2.1201 2.1216 2.2103 2.2199 3.0243 3.1214 3.2855 3.2972 3.4486 3.5199 3.5554 3.5568 3.6971 3.6998 4.0243 4.0393 4.0649 4.1566 4.2700 4.2717 4.8760 4.8993 4.9655 4.9738 5.6389 5.6630 6.9320 6.9512 6.9855 6.9932 7.1885 7.2109 7.9822 8.0862 8.3388 8.3602 8.4990 8.5847 10.6245 10.6277 10.7119 10.7255 12.8597 12.8657 14.3917 14.3995 18.0501 18.1648 k = 0.0882 0.0509 0.2060 ( 3552 PWs) bands (ev): -9.1003 -9.0992 -9.0951 -9.0937 -8.3763 -8.3761 0.6043 0.6082 1.4476 1.4481 1.7139 1.7873 1.9476 1.9743 2.0688 2.0820 2.1243 2.1270 2.2104 2.2215 3.0158 3.1213 3.2824 3.2980 3.4478 3.5207 3.5546 3.5571 3.6962 3.6995 4.0228 4.0367 4.0633 4.1609 4.2720 4.2745 4.8722 4.9006 4.9754 4.9815 5.6442 5.6703 6.9156 6.9329 6.9714 6.9787 7.2008 7.2230 7.9665 8.0714 8.3135 8.3340 8.5093 8.5996 10.6452 10.6492 10.7308 10.7466 12.9242 12.9312 14.3779 14.3869 17.9546 18.0956 k = 0.0980 0.0566 0.2060 ( 3552 PWs) bands (ev): -9.0967 -9.0955 -9.0904 -9.0888 -8.3768 -8.3765 0.6094 0.6136 1.4527 1.4534 1.7124 1.7928 1.9482 1.9785 2.0702 2.0838 2.1285 2.1327 2.2105 2.2233 3.0074 3.1202 3.2788 3.2988 3.4476 3.5193 3.5531 3.5605 3.6954 3.6994 4.0214 4.0339 4.0625 4.1648 4.2740 4.2775 4.8685 4.9019 4.9859 4.9901 5.6502 5.6780 6.8989 6.9141 6.9561 6.9642 7.2130 7.2352 7.9515 8.0559 8.2842 8.3050 8.5202 8.6132 10.6689 10.6737 10.7527 10.7704 12.9939 13.0021 14.3626 14.3728 17.8517 18.0192 k = 0.1078 0.0623 0.2060 ( 3558 PWs) bands (ev): -9.0928 -9.0915 -9.0852 -9.0835 -8.3773 -8.3770 0.6149 0.6194 1.4581 1.4590 1.7112 1.7984 1.9485 1.9824 2.0726 2.0860 2.1325 2.1386 2.2108 2.2254 2.9992 3.1181 3.2748 3.2996 3.4480 3.5164 3.5518 3.5654 3.6947 3.6995 4.0202 4.0313 4.0624 4.1684 4.2760 4.2807 4.8651 4.9031 4.9964 5.0001 5.6569 5.6860 6.8816 6.8955 6.9399 6.9502 7.2251 7.2473 7.9371 8.0400 8.2514 8.2735 8.5309 8.6253 10.6954 10.7011 10.7773 10.7969 13.0685 13.0777 14.3458 14.3573 17.7422 17.9354 k = 0.1176 0.0679 0.2060 ( 3550 PWs) bands (ev): -9.0886 -9.0871 -9.0795 -9.0778 -8.3778 -8.3775 0.6207 0.6254 1.4638 1.4649 1.7105 1.8041 1.9484 1.9860 2.0760 2.0887 2.1365 2.1447 2.2112 2.2278 2.9914 3.1150 3.2706 3.3003 3.4489 3.5127 3.5509 3.5712 3.6941 3.6998 4.0189 4.0292 4.0627 4.1717 4.2779 4.2841 4.8620 4.9044 5.0064 5.0117 5.6642 5.6942 6.8634 6.8776 6.9230 6.9366 7.2369 7.2592 7.9233 8.0239 8.2155 8.2396 8.5411 8.6358 10.7247 10.7316 10.8047 10.8261 13.1473 13.1578 14.3275 14.3405 17.6268 17.8445 k = 0.1275 0.0736 0.2060 ( 3546 PWs) bands (ev): -9.0840 -9.0825 -9.0735 -9.0716 -8.3783 -8.3780 0.6267 0.6316 1.4697 1.4712 1.7102 1.8100 1.9479 1.9893 2.0802 2.0916 2.1403 2.1508 2.2118 2.2307 2.9838 3.1110 3.2662 3.3008 3.4503 3.5089 3.5504 3.5773 3.6936 3.7006 4.0177 4.0279 4.0633 4.1747 4.2798 4.2876 4.8594 4.9057 5.0163 5.0242 5.6720 5.7025 6.8439 6.8610 6.9059 6.9235 7.2483 7.2709 7.9100 8.0078 8.1768 8.2039 8.5506 8.6446 10.7565 10.7648 10.8348 10.8578 13.2299 13.2417 14.3079 14.3224 17.5064 17.7467 k = 0.1373 0.0792 0.2060 ( 3542 PWs) bands (ev): -9.0792 -9.0776 -9.0671 -9.0651 -8.3789 -8.3785 0.6329 0.6380 1.4758 1.4776 1.7103 1.8161 1.9469 1.9921 2.0849 2.0949 2.1440 2.1570 2.2126 2.2341 2.9767 3.1060 3.2618 3.3012 3.4520 3.5054 3.5504 3.5836 3.6932 3.7019 4.0164 4.0274 4.0642 4.1776 4.2816 4.2914 4.8573 4.9072 5.0265 5.0374 5.6803 5.7108 6.8235 6.8455 6.8889 6.9109 7.2590 7.2822 7.8972 7.9918 8.1360 8.1667 8.5591 8.6517 10.7907 10.8007 10.8673 10.8920 13.3157 13.3290 14.2868 14.3029 17.3818 17.6422 k = 0.1471 0.0849 0.2060 ( 3534 PWs) bands (ev): -9.0741 -9.0724 -9.0603 -9.0582 -8.3795 -8.3790 0.6392 0.6443 1.4819 1.4842 1.7108 1.8225 1.9456 1.9946 2.0900 2.0985 2.1475 2.1632 2.2136 2.2381 2.9702 3.1000 3.2575 3.3014 3.4542 3.5022 3.5508 3.5898 3.6929 3.7038 4.0152 4.0277 4.0654 4.1803 4.2832 4.2952 4.8560 4.9091 5.0369 5.0510 5.6890 5.7190 6.8025 6.8309 6.8722 6.8991 7.2686 7.2931 7.8847 7.9759 8.0936 8.1285 8.5665 8.6571 10.8271 10.8389 10.9022 10.9284 13.4044 13.4192 14.2645 14.2823 17.2538 17.5312 k = 0.1569 0.0906 0.2060 ( 3534 PWs) bands (ev): -9.0688 -9.0670 -9.0532 -9.0510 -8.3800 -8.3796 0.6455 0.6507 1.4881 1.4909 1.7116 1.8290 1.9438 1.9967 2.0948 2.1024 2.1510 2.1691 2.2150 2.2428 2.9642 3.0932 3.2535 3.3016 3.4566 3.4997 3.5516 3.5959 3.6927 3.7063 4.0143 4.0288 4.0669 4.1830 4.2848 4.2991 4.8555 4.9113 5.0475 5.0650 5.6978 5.7270 6.7813 6.8170 6.8560 6.8882 7.2768 7.3035 7.8721 7.9601 8.0505 8.0901 8.5726 8.6609 10.8654 10.8791 10.9392 10.9670 13.4955 13.5119 14.2409 14.2604 17.1230 17.4142 k = 0.1667 0.0962 0.2060 ( 3534 PWs) bands (ev): -9.0632 -9.0614 -9.0458 -9.0436 -8.3806 -8.3801 0.6519 0.6570 1.4942 1.4976 1.7128 1.8357 1.9417 1.9985 2.0993 2.1066 2.1547 2.1745 2.2168 2.2482 2.9589 3.0855 3.2497 3.3017 3.4593 3.4978 3.5530 3.6018 3.6926 3.7095 4.0136 4.0305 4.0686 4.1856 4.2862 4.3031 4.8559 4.9141 5.0583 5.0793 5.7068 5.7347 6.7601 6.8035 6.8406 6.8783 7.2830 7.3131 7.8592 7.9444 8.0079 8.0520 8.5776 8.6630 10.9055 10.9210 10.9780 11.0075 13.5884 13.6066 14.2163 14.2376 16.9902 17.2915 k = 0.1765 0.1019 0.2060 ( 3540 PWs) bands (ev): -9.0575 -9.0556 -9.0381 -9.0358 -8.3811 -8.3806 0.6582 0.6632 1.5002 1.5043 1.7144 1.8426 1.9394 2.0001 2.1031 2.1106 2.1586 2.1793 2.2191 2.2543 2.9545 3.0771 3.2465 3.3020 3.4623 3.4966 3.5548 3.6076 3.6928 3.7134 4.0133 4.0329 4.0705 4.1884 4.2874 4.3072 4.8574 4.9176 5.0691 5.0937 5.7158 5.7420 6.7389 6.7902 6.8262 6.8694 7.2867 7.3216 7.8451 7.9284 7.9676 8.0152 8.5812 8.6637 10.9471 10.9643 11.0186 11.0496 13.6828 13.7025 14.1908 14.2138 16.8561 17.1634 k = 0.1863 0.1075 0.2060 ( 3546 PWs) bands (ev): -9.0515 -9.0496 -9.0302 -9.0279 -8.3817 -8.3811 0.6644 0.6693 1.5059 1.5109 1.7163 1.8494 1.9370 2.0014 2.1064 2.1141 2.1630 2.1831 2.2220 2.2612 2.9509 3.0681 3.2438 3.3023 3.4653 3.4961 3.5569 3.6132 3.6931 3.7179 4.0135 4.0359 4.0727 4.1912 4.2887 4.3112 4.8601 4.9218 5.0800 5.1084 5.7247 5.7489 6.7179 6.7770 6.8131 6.8618 7.2873 7.3286 7.8287 7.9105 7.9332 7.9803 8.5836 8.6628 10.9900 11.0086 11.0606 11.0931 13.7778 13.7989 14.1650 14.1895 16.7212 17.0307 k = 0.1961 0.1132 0.2060 ( 3542 PWs) bands (ev): -9.0454 -9.0434 -9.0221 -9.0197 -8.3822 -8.3816 0.6705 0.6751 1.5114 1.5173 1.7186 1.8562 1.9346 2.0025 2.1093 2.1169 2.1680 2.1858 2.2256 2.2686 2.9483 3.0588 3.2418 3.3030 3.4685 3.4963 3.5595 3.6188 3.6938 3.7230 4.0141 4.0394 4.0752 4.1942 4.2898 4.3153 4.8639 4.9269 5.0910 5.1232 5.7334 5.7552 6.6970 6.7636 6.8015 6.8555 7.2842 7.3333 7.8083 7.8885 7.9096 7.9484 8.5847 8.6606 11.0342 11.0537 11.1038 11.1377 13.8726 13.8934 14.1405 14.1659 16.5862 16.8942 k = 0.2059 0.1189 0.2060 ( 3536 PWs) bands (ev): -9.0392 -9.0372 -9.0138 -9.0113 -8.3827 -8.3820 0.6764 0.6806 1.5165 1.5235 1.7211 1.8626 1.9326 2.0034 2.1115 2.1190 2.1738 2.1874 2.2295 2.2766 2.9468 3.0493 3.2404 3.3039 3.4717 3.4972 3.5623 3.6244 3.6947 3.7286 4.0153 4.0434 4.0780 4.1975 4.2909 4.3194 4.8691 4.9331 5.1018 5.1381 5.7417 5.7611 6.6763 6.7499 6.7914 6.8505 7.2771 7.3349 7.7837 7.8675 7.8933 7.9199 8.5846 8.6570 11.0793 11.0993 11.1479 11.1829 13.9636 13.9785 14.1222 14.1477 16.4516 16.7552 k = 0.2157 0.1245 0.2060 ( 3540 PWs) bands (ev): -9.0329 -9.0308 -9.0053 -9.0029 -8.3831 -8.3824 0.6820 0.6859 1.5211 1.5293 1.7238 1.8683 1.9313 2.0043 2.1129 2.1208 2.1800 2.1879 2.2337 2.2849 2.9464 3.0398 3.2396 3.3052 3.4750 3.4987 3.5654 3.6301 3.6960 3.7345 4.0169 4.0479 4.0810 4.2009 4.2921 4.3235 4.8755 4.9404 5.1126 5.1531 5.7497 5.7665 6.6557 6.7358 6.7828 6.8467 7.2654 7.3323 7.7576 7.8512 7.8794 7.8956 8.5831 8.6522 11.1253 11.1451 11.1926 11.2286 14.0190 14.0403 14.1260 14.1643 16.3180 16.6147 k = 0.2255 0.1302 0.2060 ( 3540 PWs) bands (ev): -9.0264 -9.0244 -8.9968 -8.9943 -8.3835 -8.3828 0.6874 0.6909 1.5252 1.5347 1.7267 1.8729 1.9309 2.0051 2.1131 2.1227 2.1864 2.1878 2.2378 2.2935 2.9472 3.0308 3.2395 3.3070 3.4782 3.5007 3.5687 3.6359 3.6976 3.7407 4.0191 4.0529 4.0844 4.2046 4.2933 4.3275 4.8832 4.9489 5.1233 5.1682 5.7573 5.7715 6.6350 6.7214 6.7757 6.8441 7.2493 7.3247 7.7334 7.8387 7.8669 7.8754 8.5804 8.6462 11.1719 11.1911 11.2377 11.2744 14.0107 14.0489 14.1861 14.2383 16.1860 16.4742 k = 0.2353 0.1358 0.2060 ( 3544 PWs) bands (ev): -9.0199 -9.0179 -8.9882 -8.9856 -8.3839 -8.3832 0.6925 0.6955 1.5287 1.5395 1.7299 1.8760 1.9319 2.0060 2.1122 2.1249 2.1860 2.1940 2.2416 2.3022 2.9491 3.0224 3.2400 3.3092 3.4815 3.5033 3.5721 3.6419 3.6996 3.7472 4.0218 4.0583 4.0881 4.2086 4.2945 4.3314 4.8922 4.9588 5.1337 5.1832 5.7645 5.7762 6.6142 6.7065 6.7699 6.8426 7.2289 7.3112 7.7138 7.8289 7.8556 7.8591 8.5765 8.6392 11.2189 11.2368 11.2831 11.3200 13.9842 14.0261 14.2729 14.3306 16.0563 16.3348 k = 0.2451 0.1415 0.2060 ( 3544 PWs) bands (ev): -9.0134 -9.0114 -8.9795 -8.9770 -8.3842 -8.3834 0.6971 0.6999 1.5316 1.5438 1.7332 1.8775 1.9344 2.0071 2.1106 2.1271 2.1841 2.2011 2.2450 2.3107 2.9521 3.0148 3.2411 3.3118 3.4847 3.5064 3.5756 3.6482 3.7020 3.7537 4.0250 4.0641 4.0921 4.2128 4.2959 4.3353 4.9025 4.9700 5.1440 5.1983 5.7714 5.7808 6.5931 6.6911 6.7654 6.8419 7.2048 7.2921 7.6999 7.8210 7.8450 7.8468 8.5713 8.6311 11.2661 11.2820 11.3287 11.3654 13.9524 13.9970 14.3617 14.4263 15.9298 16.1977 k = 0.2549 0.1472 0.2060 ( 3544 PWs) bands (ev): -9.0068 -9.0048 -8.9708 -8.9683 -8.3845 -8.3837 0.7014 0.7040 1.5338 1.5473 1.7366 1.8774 1.9380 2.0085 2.1084 2.1295 2.1815 2.2082 2.2482 2.3191 2.9560 3.0085 3.2427 3.3149 3.4878 3.5098 3.5791 3.6548 3.7048 3.7603 4.0287 4.0703 4.0965 4.2172 4.2974 4.3390 4.9138 4.9827 5.1539 5.2132 5.7779 5.7855 6.5716 6.6749 6.7621 6.8419 7.1780 7.2679 7.6917 7.8141 7.8353 7.8389 8.5649 8.6221 11.3131 11.3264 11.3745 11.4103 13.9181 13.9654 14.4478 14.5212 15.8074 16.0642 k = 0.2647 0.1528 0.2060 ( 3540 PWs) bands (ev): -9.0003 -8.9983 -8.9622 -8.9597 -8.3847 -8.3838 0.7053 0.7078 1.5351 1.5499 1.7402 1.8762 1.9424 2.0104 2.1059 2.1318 2.1784 2.2149 2.2513 2.3270 2.9606 3.0036 3.2449 3.3185 3.4909 3.5137 3.5826 3.6617 3.7079 3.7670 4.0328 4.0769 4.1011 4.2218 4.2991 4.3426 4.9262 4.9968 5.1635 5.2279 5.7841 5.7906 6.5495 6.6577 6.7599 6.8422 7.1496 7.2398 7.6883 7.8068 7.8275 7.8345 8.5573 8.6123 11.3595 11.3694 11.4208 11.4548 13.8822 13.9322 14.5283 14.6127 15.6907 15.9361 k = 0.2745 0.1585 0.2060 ( 3536 PWs) bands (ev): -8.9938 -8.9918 -8.9536 -8.9511 -8.3848 -8.3840 0.7086 0.7114 1.5357 1.5517 1.7439 1.8743 1.9470 2.0128 2.1032 2.1343 2.1748 2.2208 2.2547 2.3344 2.9654 3.0007 3.2475 3.3224 3.4939 3.5179 3.5862 3.6689 3.7114 3.7735 4.0374 4.0838 4.1061 4.2265 4.3009 4.3460 4.9396 5.0123 5.1727 5.2424 5.7902 5.7965 6.5266 6.6391 6.7586 6.8424 7.1210 7.2094 7.6885 7.7989 7.8209 7.8342 8.5486 8.6016 11.4045 11.4110 11.4675 11.4990 13.8450 13.8978 14.6002 14.6979 15.5819 15.8156 k = 0.2843 0.1641 0.2060 ( 3536 PWs) bands (ev): -8.9874 -8.9854 -8.9451 -8.9427 -8.3849 -8.3840 0.7115 0.7148 1.5354 1.5524 1.7477 1.8719 1.9515 2.0157 2.1004 2.1368 2.1708 2.2255 2.2589 2.3413 2.9700 3.0001 3.2506 3.3268 3.4968 3.5225 3.5897 3.6764 3.7152 3.7800 4.0424 4.0910 4.1115 4.2314 4.3028 4.3493 4.9539 5.0291 5.1816 5.2566 5.7963 5.8035 6.5029 6.6188 6.7582 6.8423 7.0933 7.1780 7.6907 7.7912 7.8152 7.8373 8.5386 8.5903 11.4463 11.4522 11.5149 11.5430 13.8068 13.8625 14.6592 14.7721 15.4845 15.7061 k = 0.2941 0.1698 0.2060 ( 3540 PWs) bands (ev): -8.9810 -8.9791 -8.9368 -8.9344 -8.3849 -8.3840 0.7141 0.7178 1.5343 1.5520 1.7517 1.8694 1.9555 2.0191 2.0976 2.1395 2.1665 2.2286 2.2640 2.3475 2.9737 3.0023 3.2540 3.3314 3.4996 3.5273 3.5932 3.6841 3.7192 3.7864 4.0479 4.0983 4.1171 4.2364 4.3048 4.3524 4.9688 5.0471 5.1900 5.2704 5.8028 5.8115 6.4782 6.5965 6.7586 6.8415 7.0678 7.1467 7.6937 7.7841 7.8104 7.8426 8.5276 8.5783 11.4837 11.4932 11.5630 11.5872 13.7675 13.8262 14.6998 14.8278 15.4034 15.6133 k = 0.3039 0.1755 0.2060 ( 3540 PWs) bands (ev): -8.9747 -8.9729 -8.9286 -8.9263 -8.3849 -8.3840 0.7162 0.7206 1.5323 1.5506 1.7558 1.8669 1.9591 2.0227 2.0949 2.1424 2.1621 2.2303 2.2702 2.3529 2.9766 3.0072 3.2579 3.3363 3.5023 3.5323 3.5968 3.6919 3.7234 3.7926 4.0537 4.1057 4.1232 4.2414 4.3068 4.3553 4.9844 5.0660 5.1982 5.2838 5.8102 5.8206 6.4525 6.5718 6.7594 6.8396 7.0456 7.1164 7.6960 7.7780 7.8071 7.8498 8.5157 8.5657 11.5180 11.5323 11.6116 11.6320 13.7275 13.7891 14.7158 14.8543 15.3428 15.5459 k = 0.3137 0.1811 0.2060 ( 3540 PWs) bands (ev): -8.9686 -8.9669 -8.9207 -8.9184 -8.3847 -8.3838 0.7180 0.7230 1.5295 1.5481 1.7599 1.8645 1.9622 2.0263 2.0925 2.1458 2.1578 2.2309 2.2770 2.3576 2.9793 3.0138 3.2621 3.3414 3.5049 3.5375 3.6006 3.6998 3.7278 3.7987 4.0598 4.1130 4.1297 4.2464 4.3088 4.3579 5.0003 5.0854 5.2063 5.2968 5.8186 5.8310 6.4259 6.5447 6.7607 6.8365 7.0273 7.0878 7.6964 7.7722 7.8061 7.8582 8.5027 8.5525 11.5495 11.5685 11.6605 11.6776 13.6865 13.7512 14.7029 14.8437 15.2987 15.5146 k = 0.3235 0.1868 0.2060 ( 3540 PWs) bands (ev): -8.9627 -8.9610 -8.9130 -8.9107 -8.3846 -8.3837 0.7196 0.7252 1.5259 1.5446 1.7641 1.8623 1.9650 2.0293 2.0905 2.1496 2.1535 2.2309 2.2841 2.3616 2.9822 3.0215 3.2666 3.3466 3.5074 3.5426 3.6046 3.7077 3.7324 3.8045 4.0663 4.1200 4.1368 4.2514 4.3107 4.3603 5.0165 5.1047 5.2147 5.3094 5.8284 5.8426 6.3984 6.5152 6.7621 6.8323 7.0132 7.0615 7.6945 7.7659 7.8083 7.8677 8.4890 8.5389 11.5785 11.6015 11.7095 11.7242 13.6447 13.7125 14.6629 14.7991 15.2576 15.5210 k = 0.3333 0.1925 0.2060 ( 3534 PWs) bands (ev): -8.9569 -8.9552 -8.9055 -8.9033 -8.3843 -8.3834 0.7208 0.7270 1.5215 1.5401 1.7684 1.8603 1.9674 2.0315 2.0890 2.1494 2.1542 2.2305 2.2912 2.3647 2.9857 3.0298 3.2715 3.3518 3.5098 3.5475 3.6089 3.7155 3.7371 3.8100 4.0732 4.1265 4.1445 4.2563 4.3125 4.3623 5.0327 5.1233 5.2239 5.3220 5.8395 5.8554 6.3704 6.4836 6.7634 6.8273 7.0030 7.0378 7.6900 7.7582 7.8140 7.8779 8.4747 8.5249 11.6050 11.6313 11.7584 11.7720 13.6021 13.6731 14.6032 14.7312 15.2107 15.5085 k = 0.3431 0.1981 0.2060 ( 3528 PWs) bands (ev): -8.9513 -8.9497 -8.8983 -8.8962 -8.3840 -8.3831 0.7219 0.7285 1.5166 1.5347 1.7726 1.8585 1.9696 2.0326 2.0881 2.1458 2.1593 2.2300 2.2981 2.3671 2.9898 3.0382 3.2766 3.3569 3.5120 3.5520 3.6137 3.7231 3.7418 3.8153 4.0803 4.1325 4.1527 4.2611 4.3141 4.3640 5.0486 5.1401 5.2347 5.3346 5.8518 5.8692 6.3421 6.4505 6.7645 6.8221 6.9960 7.0171 7.6835 7.7487 7.8225 7.8888 8.4598 8.5105 11.6291 11.6580 11.8069 11.8208 13.5586 13.6329 14.5319 14.6503 15.1572 15.4229 k = 0.3529 0.2038 0.2060 ( 3528 PWs) bands (ev): -8.9459 -8.9444 -8.8914 -8.8894 -8.3837 -8.3828 0.7227 0.7297 1.5111 1.5286 1.7768 1.8569 1.9717 2.0324 2.0878 2.1425 2.1653 2.2298 2.3046 2.3687 2.9945 3.0464 3.2820 3.3620 3.5142 3.5560 3.6191 3.7304 3.7466 3.8202 4.0876 4.1381 4.1613 4.2658 4.3154 4.3653 5.0639 5.1542 5.2479 5.3479 5.8650 5.8840 6.3139 6.4164 6.7651 6.8172 6.9906 7.0007 7.6751 7.7373 7.8331 7.9001 8.4446 8.4959 11.6508 11.6816 11.8550 11.8704 13.5141 13.5919 14.4555 14.5633 15.0993 15.3328 k = 0.3627 0.2094 0.2060 ( 3520 PWs) bands (ev): -8.9408 -8.9394 -8.8849 -8.8830 -8.3833 -8.3824 0.7234 0.7307 1.5051 1.5220 1.7809 1.8555 1.9735 2.0312 2.0881 2.1396 2.1719 2.2300 2.3106 2.3695 2.9999 3.0543 3.2877 3.3667 3.5163 3.5593 3.6251 3.7374 3.7514 3.8247 4.0952 4.1433 4.1702 4.2703 4.3165 4.3662 5.0782 5.1649 5.2640 5.3621 5.8782 5.8993 6.2864 6.3823 6.7650 6.8129 6.9817 6.9932 7.6651 7.7239 7.8453 7.9118 8.4292 8.4811 11.6704 11.7024 11.9028 11.9206 13.4686 13.5499 14.3781 14.4748 15.0398 15.2462 k = 0.3725 0.2151 0.2060 ( 3510 PWs) bands (ev): -8.9359 -8.9346 -8.8788 -8.8769 -8.3829 -8.3820 0.7239 0.7314 1.4989 1.5149 1.7850 1.8541 1.9752 2.0290 2.0887 2.1371 2.1792 2.2309 2.3159 2.3695 3.0058 3.0618 3.2936 3.3712 3.5184 3.5618 3.6320 3.7438 3.7562 3.8288 4.1028 4.1480 4.1792 4.2746 4.3172 4.3666 5.0911 5.1725 5.2827 5.3779 5.8904 5.9151 6.2603 6.3491 6.7642 6.8092 6.9714 6.9922 7.6536 7.7085 7.8585 7.9238 8.4139 8.4663 11.6878 11.7205 11.9504 11.9712 13.4219 13.5069 14.3023 14.3876 14.9810 15.1644 k = 0.3824 0.2208 0.2060 ( 3516 PWs) bands (ev): -8.9313 -8.9301 -8.8730 -8.8713 -8.3824 -8.3816 0.7243 0.7318 1.4925 1.5075 1.7889 1.8528 1.9767 2.0261 2.0897 2.1347 2.1869 2.2326 2.3204 2.3687 3.0121 3.0687 3.2998 3.3752 3.5204 3.5635 3.6394 3.7496 3.7611 3.8323 4.1105 4.1525 4.1882 4.2787 4.3175 4.3666 5.1024 5.1773 5.3036 5.3957 5.9001 5.9306 6.2362 6.3180 6.7628 6.8061 6.9638 6.9933 7.6406 7.6910 7.8724 7.9359 8.3987 8.4514 11.7032 11.7361 11.9978 12.0220 13.3740 13.4627 14.2300 14.3037 14.9244 15.0880 k = 0.3922 0.2264 0.2060 ( 3510 PWs) bands (ev): -8.9270 -8.9259 -8.8676 -8.8660 -8.3820 -8.3812 0.7246 0.7321 1.4861 1.5001 1.7927 1.8514 1.9781 2.0227 2.0910 2.1326 2.1951 2.2354 2.3241 2.3671 3.0188 3.0750 3.3061 3.3788 3.5223 3.5645 3.6475 3.7544 3.7662 3.8354 4.1182 4.1566 4.1971 4.2826 4.3175 4.3660 5.1120 5.1800 5.3260 5.4156 5.9055 5.9451 6.2150 6.2907 6.7609 6.8033 6.9597 6.9958 7.6260 7.6715 7.8868 7.9481 8.3840 8.4367 11.7168 11.7493 12.0451 12.0728 13.3249 13.4170 14.1623 14.2246 14.8712 15.0171 k = 0.4020 0.2321 0.2060 ( 3522 PWs) bands (ev): -8.9230 -8.9220 -8.8627 -8.8612 -8.3815 -8.3808 0.7248 0.7321 1.4798 1.4926 1.7964 1.8500 1.9793 2.0191 2.0923 2.1305 2.2036 2.2391 2.3269 2.3647 3.0257 3.0805 3.3125 3.3818 3.5243 3.5647 3.6561 3.7583 3.7716 3.8379 4.1258 4.1604 4.2058 4.2862 4.3172 4.3650 5.1199 5.1811 5.3496 5.4377 5.9055 5.9568 6.1975 6.2688 6.7588 6.8005 6.9590 6.9996 7.6099 7.6500 7.9016 7.9601 8.3698 8.4222 11.7287 11.7603 12.0922 12.1236 13.2747 13.3698 14.0999 14.1514 14.8220 14.9519 k = 0.4118 0.2377 0.2060 ( 3522 PWs) bands (ev): -8.9193 -8.9184 -8.8581 -8.8568 -8.3810 -8.3803 0.7250 0.7320 1.4737 1.4854 1.8000 1.8485 1.9804 2.0154 2.0938 2.1284 2.2122 2.2440 2.3288 2.3616 3.0327 3.0851 3.3190 3.3842 3.5262 3.5644 3.6650 3.7610 3.7772 3.8398 4.1331 4.1639 4.2143 4.2894 4.3165 4.3635 5.1262 5.1809 5.3742 5.4616 5.8995 5.9635 6.1847 6.2536 6.7569 6.7976 6.9617 7.0046 7.5923 7.6269 7.9164 7.9719 8.3565 8.4080 11.7391 11.7692 12.1391 12.1743 13.2236 13.3209 14.0435 14.0849 14.7775 14.8924 k = 0.4216 0.2434 0.2060 ( 3524 PWs) bands (ev): -8.9160 -8.9152 -8.8541 -8.8529 -8.3805 -8.3799 0.7252 0.7318 1.4680 1.4785 1.8034 1.8468 1.9815 2.0118 2.0952 2.1262 2.2209 2.2499 2.3297 2.3576 3.0398 3.0889 3.3256 3.3859 3.5281 3.5635 3.6741 3.7626 3.7831 3.8411 4.1402 4.1671 4.2225 4.2922 4.3159 4.3615 5.1313 5.1797 5.3999 5.4870 5.8875 5.9628 6.1780 6.2452 6.7552 6.7943 6.9675 7.0107 7.5736 7.6025 7.9312 7.9831 8.3442 8.3941 11.7481 11.7764 12.1858 12.2246 13.1721 13.2704 13.9932 14.0256 14.7378 14.8388 k = 0.4314 0.2491 0.2060 ( 3530 PWs) bands (ev): -8.9130 -8.9123 -8.8504 -8.8494 -8.3801 -8.3795 0.7254 0.7314 1.4628 1.4720 1.8068 1.8450 1.9824 2.0083 2.0967 2.1240 2.2298 2.2565 2.3296 2.3530 3.0468 3.0918 3.3322 3.3869 3.5301 3.5622 3.6832 3.7632 3.7890 3.8418 4.1468 4.1699 4.2303 4.2940 4.3155 4.3591 5.1353 5.1777 5.4264 5.5133 5.8706 5.9536 6.1782 6.2425 6.7539 6.7907 6.9761 7.0180 7.5538 7.5772 7.9456 7.9935 8.3332 8.3807 11.7559 11.7818 12.2322 12.2742 13.1207 13.2186 13.9492 13.9739 14.7033 14.7908 k = 0.4412 0.2547 0.2060 ( 3526 PWs) bands (ev): -8.9104 -8.9098 -8.8473 -8.8464 -8.3797 -8.3792 0.7256 0.7310 1.4581 1.4661 1.8100 1.8431 1.9834 2.0051 2.0983 2.1218 2.2389 2.2637 2.3284 2.3477 3.0537 3.0938 3.3387 3.3871 3.5321 3.5605 3.6923 3.7627 3.7949 3.8417 4.1529 4.1723 4.2377 4.2946 4.3160 4.3564 5.1387 5.1751 5.4537 5.5400 5.8502 5.9370 6.1842 6.2434 6.7532 6.7868 6.9870 7.0260 7.5337 7.5519 7.9596 8.0029 8.3238 8.3678 11.7626 11.7858 12.2780 12.3226 13.0704 13.1659 13.9115 13.9298 14.6742 14.7487 k = 0.4510 0.2604 0.2060 ( 3526 PWs) bands (ev): -8.9082 -8.9077 -8.8446 -8.8438 -8.3793 -8.3789 0.7258 0.7305 1.4542 1.4608 1.8132 1.8409 1.9844 2.0021 2.0998 2.1195 2.2481 2.2712 2.3262 2.3419 3.0603 3.0948 3.3451 3.3866 3.5342 3.5585 3.7013 3.7612 3.8008 3.8409 4.1585 4.1743 4.2448 4.2937 4.3174 4.3533 5.1416 5.1721 5.4815 5.5663 5.8280 5.9149 6.1941 6.2461 6.7531 6.7828 6.9995 7.0345 7.5138 7.5272 7.9729 8.0109 8.3162 8.3556 11.7685 11.7884 12.3228 12.3690 13.0225 13.1132 13.8800 13.8932 14.6504 14.7122 k = 0.4608 0.2660 0.2060 ( 3522 PWs) bands (ev): -8.9063 -8.9059 -8.8423 -8.8417 -8.3790 -8.3786 0.7261 0.7299 1.4509 1.4563 1.8163 1.8386 1.9855 1.9993 2.1014 2.1173 2.2575 2.2788 2.3229 2.3357 3.0666 3.0949 3.3513 3.3853 3.5364 3.5562 3.7100 3.7588 3.8066 3.8395 4.1634 4.1758 4.2515 4.2915 4.3199 4.3499 5.1444 5.1688 5.5096 5.5908 5.8060 5.8896 6.2057 6.2489 6.7537 6.7786 7.0129 7.0427 7.4950 7.5043 7.9852 8.0171 8.3105 8.3442 11.7735 11.7899 12.3662 12.4119 12.9787 13.0615 13.8546 13.8639 14.6320 14.6813 k = 0.4706 0.2717 0.2060 ( 3526 PWs) bands (ev): -8.9049 -8.9046 -8.8405 -8.8401 -8.3787 -8.3784 0.7264 0.7294 1.4485 1.4525 1.8193 1.8361 1.9866 1.9969 2.1031 2.1150 2.2668 2.2861 2.3185 2.3294 3.0724 3.0941 3.3573 3.3832 3.5387 3.5538 3.7183 3.7554 3.8122 3.8373 4.1676 4.1767 4.2578 4.2882 4.3231 4.3463 5.1470 5.1655 5.5376 5.6113 5.7870 5.8628 6.2175 6.2508 6.7550 6.7744 7.0262 7.0498 7.4784 7.4844 7.9962 8.0211 8.3072 8.3338 11.7778 11.7904 12.4068 12.4489 12.9417 13.0125 13.8351 13.8414 14.6191 14.6560 k = 0.4804 0.2774 0.2060 ( 3528 PWs) bands (ev): -8.9038 -8.9036 -8.8393 -8.8390 -8.3785 -8.3783 0.7268 0.7288 1.4469 1.4496 1.8223 1.8335 1.9879 1.9946 2.1048 2.1128 2.2760 2.2927 2.3132 2.3232 3.0778 3.0924 3.3629 3.3804 3.5411 3.5513 3.7261 3.7511 3.8175 3.8345 4.1710 4.1770 4.2638 4.2842 4.3267 4.3424 5.1498 5.1621 5.5647 5.6237 5.7755 5.8359 6.2283 6.2509 6.7570 6.7702 7.0383 7.0547 7.4653 7.4687 8.0057 8.0229 8.3062 8.3247 11.7815 11.7900 12.4428 12.4765 12.9154 12.9686 13.8215 13.8254 14.6116 14.6362 k = 0.4902 0.2830 0.2060 ( 3532 PWs) bands (ev): -8.9032 -8.9031 -8.8385 -8.8383 -8.3783 -8.3783 0.7272 0.7282 1.4462 1.4476 1.8252 1.8308 1.9893 1.9927 2.1067 2.1107 2.2848 2.2963 2.3094 2.3172 3.0825 3.0899 3.3681 3.3769 3.5436 3.5487 3.7334 3.7459 3.8224 3.8310 4.1737 4.1766 4.2694 4.2797 4.3305 4.3385 5.1526 5.1588 5.5899 5.6235 5.7763 5.8106 6.2374 6.2488 6.7596 6.7663 7.0480 7.0564 7.4570 7.4585 8.0134 8.0221 8.3076 8.3171 11.7845 11.7888 12.4715 12.4906 12.9040 12.9331 13.8137 13.8156 14.6096 14.6218 k = 0.5000 0.2887 0.2060 ( 3532 PWs) bands (ev): -8.9029 -8.9029 -8.8381 -8.8381 -8.3783 -8.3783 0.7277 0.7277 1.4464 1.4464 1.8281 1.8281 1.9909 1.9909 2.1086 2.1086 2.2925 2.2925 2.3118 2.3118 3.0866 3.0866 3.3728 3.3728 3.5462 3.5462 3.7400 3.7400 3.8270 3.8270 4.1755 4.1755 4.2747 4.2747 4.3345 4.3345 5.1556 5.1556 5.6108 5.6108 5.7894 5.7894 6.2443 6.2443 6.7627 6.7627 7.0542 7.0542 7.4546 7.4546 8.0189 8.0189 8.3113 8.3113 11.7870 11.7870 12.4886 12.4886 12.9103 12.9103 13.8117 13.8117 14.6130 14.6130 k = 0.5000 0.2887 0.2060 ( 3532 PWs) bands (ev): -8.9029 -8.9029 -8.8381 -8.8381 -8.3783 -8.3783 0.7277 0.7277 1.4464 1.4464 1.8281 1.8281 1.9909 1.9909 2.1086 2.1086 2.2925 2.2925 2.3118 2.3118 3.0866 3.0866 3.3728 3.3728 3.5462 3.5462 3.7400 3.7400 3.8270 3.8270 4.1755 4.1755 4.2747 4.2747 4.3345 4.3345 5.1556 5.1556 5.6108 5.6108 5.7894 5.7894 6.2443 6.2443 6.7627 6.7627 7.0542 7.0542 7.4546 7.4546 8.0189 8.0189 8.3113 8.3113 11.7870 11.7870 12.4886 12.4886 12.9103 12.9103 13.8117 13.8117 14.6130 14.6130 k = 0.4944 0.2983 0.2060 ( 3528 PWs) bands (ev): -8.9028 -8.9028 -8.8382 -8.8381 -8.3783 -8.3783 0.7278 0.7280 1.4453 1.4484 1.8279 1.8286 1.9901 1.9918 2.1086 2.1088 2.2864 2.2982 2.3119 2.3123 3.0839 3.0889 3.3712 3.3733 3.5420 3.5499 3.7354 3.7442 3.8212 3.8316 4.1667 4.1825 4.2713 4.2796 4.3316 4.3394 5.1557 5.1566 5.6080 5.6156 5.7894 5.7904 6.2387 6.2506 6.7576 6.7648 7.0517 7.0544 7.4490 7.4566 8.0190 8.0234 8.3089 8.3100 11.7871 11.7903 12.4910 12.4938 12.9104 12.9110 13.8084 13.8150 14.6092 14.6171 k = 0.4889 0.3079 0.2060 ( 3526 PWs) bands (ev): -8.9024 -8.9023 -8.8381 -8.8379 -8.3784 -8.3783 0.7282 0.7285 1.4450 1.4512 1.8279 1.8294 1.9893 1.9929 2.1088 2.1093 2.2800 2.3028 2.3130 2.3131 3.0810 3.0909 3.3686 3.3728 3.5375 3.5532 3.7306 3.7480 3.8145 3.8351 4.1566 4.1867 4.2701 4.2853 4.3305 4.3462 5.1570 5.1588 5.6070 5.6224 5.7904 5.7924 6.2335 6.2574 6.7495 6.7638 7.0468 7.0523 7.4402 7.4548 8.0239 8.0319 8.3026 8.3051 11.7906 11.7971 12.5010 12.5065 12.9113 12.9125 13.8050 13.8183 14.6059 14.6217 k = 0.4833 0.3175 0.2060 ( 3526 PWs) bands (ev): -8.9018 -8.9016 -8.8380 -8.8377 -8.3785 -8.3784 0.7288 0.7294 1.4454 1.4548 1.8282 1.8305 1.9886 1.9941 2.1092 2.1100 2.2734 2.3056 2.3144 2.3161 3.0777 3.0925 3.3649 3.3715 3.5327 3.5561 3.7256 3.7512 3.8070 3.8372 4.1461 4.1880 4.2715 4.2912 4.3312 4.3547 5.1595 5.1622 5.6079 5.6311 5.7925 5.7953 6.2289 6.2648 6.7385 6.7596 7.0397 7.0480 7.4291 7.4494 8.0330 8.0436 8.2927 8.2968 11.7980 11.8073 12.5184 12.5263 12.9130 12.9148 13.8016 13.8213 14.6032 14.6265 k = 0.4778 0.3272 0.2060 ( 3530 PWs) bands (ev): -8.9009 -8.9007 -8.8379 -8.8375 -8.3787 -8.3785 0.7298 0.7305 1.4467 1.4592 1.8287 1.8320 1.9879 1.9957 2.1097 2.1110 2.2667 2.3067 2.3160 2.3208 3.0742 3.0938 3.3600 3.3695 3.5276 3.5583 3.7206 3.7537 3.7989 3.8380 4.1357 4.1867 4.2751 4.2970 4.3334 4.3645 5.1631 5.1669 5.6105 5.6416 5.7957 5.7992 6.2249 6.2729 6.7246 6.7523 7.0305 7.0418 7.4164 7.4410 8.0458 8.0572 8.2792 8.2857 11.8093 11.8212 12.5429 12.5528 12.9155 12.9180 13.7982 13.8241 14.6010 14.6317 k = 0.4722 0.3368 0.2060 ( 3534 PWs) bands (ev): -8.8998 -8.8995 -8.8377 -8.8372 -8.3789 -8.3787 0.7310 0.7319 1.4486 1.4644 1.8293 1.8338 1.9871 1.9975 2.1103 2.1122 2.2597 2.3070 2.3180 2.3262 3.0705 3.0947 3.3541 3.3667 3.5222 3.5600 3.7157 3.7554 3.7907 3.8374 4.1260 4.1837 4.2804 4.3025 4.3367 4.3754 5.1681 5.1729 5.6147 5.6539 5.8001 5.8040 6.2213 6.2815 6.7078 6.7419 7.0193 7.0337 7.4030 7.4302 8.0612 8.0711 8.2626 8.2727 11.8249 11.8389 12.5739 12.5855 12.9189 12.9220 13.7946 13.8265 14.5994 14.6371 k = 0.4667 0.3464 0.2060 ( 3534 PWs) bands (ev): -8.8984 -8.8981 -8.8375 -8.8368 -8.3791 -8.3789 0.7325 0.7335 1.4512 1.4705 1.8300 1.8358 1.9862 1.9998 2.1109 2.1137 2.2526 2.3071 2.3205 2.3318 3.0665 3.0953 3.3470 3.3634 3.5167 3.5611 3.7108 3.7559 3.7827 3.8355 4.1171 4.1796 4.2867 4.3078 4.3406 4.3868 5.1743 5.1803 5.6201 5.6676 5.8058 5.8097 6.2182 6.2908 6.6883 6.7284 7.0064 7.0241 7.3896 7.4177 8.0774 8.0828 8.2436 8.2595 11.8450 11.8608 12.6110 12.6239 12.9231 12.9269 13.7908 13.8284 14.5986 14.6426 k = 0.4611 0.3560 0.2060 ( 3542 PWs) bands (ev): -8.8968 -8.8964 -8.8372 -8.8364 -8.3794 -8.3791 0.7342 0.7354 1.4545 1.4773 1.8307 1.8381 1.9853 2.0024 2.1116 2.1155 2.2454 2.3071 2.3234 2.3375 3.0624 3.0954 3.3390 3.3595 3.5110 3.5615 3.7060 3.7547 3.7756 3.8322 4.1096 4.1753 4.2935 4.3128 4.3447 4.3984 5.1820 5.1891 5.6267 5.6827 5.8128 5.8164 6.2157 6.3007 6.6663 6.7120 6.9922 7.0132 7.3768 7.4043 8.0889 8.0917 8.2246 8.2490 11.8699 11.8871 12.6535 12.6672 12.9283 12.9327 13.7868 13.8297 14.5985 14.6483 k = 0.4556 0.3657 0.2060 ( 3534 PWs) bands (ev): -8.8950 -8.8945 -8.8368 -8.8360 -8.3797 -8.3794 0.7362 0.7375 1.4584 1.4850 1.8315 1.8407 1.9842 2.0055 2.1122 2.1175 2.2380 2.3069 2.3266 2.3432 3.0583 3.0952 3.3300 3.3552 3.5053 3.5614 3.7014 3.7512 3.7703 3.8278 4.1035 4.1712 4.3005 4.3175 4.3487 4.4098 5.1912 5.1995 5.6343 5.6987 5.8213 5.8240 6.2137 6.3111 6.6418 6.6929 6.9769 7.0013 7.3649 7.3905 8.0852 8.0986 8.2103 8.2450 11.8997 11.9179 12.7008 12.7149 12.9344 12.9397 13.7824 13.8300 14.5992 14.6540 k = 0.4500 0.3753 0.2060 ( 3534 PWs) bands (ev): -8.8929 -8.8924 -8.8365 -8.8355 -8.3800 -8.3797 0.7383 0.7397 1.4628 1.4933 1.8323 1.8434 1.9831 2.0089 2.1127 2.1197 2.2306 2.3068 2.3303 2.3489 3.0540 3.0946 3.3203 3.3505 3.4994 3.5606 3.6970 3.7455 3.7668 3.8223 4.0990 4.1675 4.3075 4.3218 4.3523 4.4207 5.2019 5.2113 5.6425 5.7155 5.8312 5.8324 6.2123 6.3220 6.6151 6.6717 6.9610 6.9887 7.3542 7.3768 8.0695 8.0904 8.2079 8.2493 11.9345 11.9533 12.7520 12.7664 12.9416 12.9479 13.7775 13.8293 14.6008 14.6596 k = 0.4444 0.3849 0.2060 ( 3538 PWs) bands (ev): -8.8907 -8.8901 -8.8361 -8.8351 -8.3804 -8.3800 0.7405 0.7421 1.4677 1.5024 1.8330 1.8462 1.9819 2.0127 2.1131 2.1221 2.2231 2.3066 2.3343 2.3544 3.0497 3.0936 3.3100 3.3454 3.4936 3.5594 3.6927 3.7387 3.7641 3.8159 4.0960 4.1644 4.3142 4.3255 4.3556 4.4308 5.2142 5.2246 5.6511 5.7328 5.8415 5.8428 6.2114 6.3332 6.5865 6.6489 6.9447 6.9758 7.3447 7.3634 8.0430 8.0662 8.2182 8.2606 11.9741 11.9933 12.8063 12.8207 12.9502 12.9578 13.7720 13.8272 14.6033 14.6651 k = 0.4389 0.3945 0.2060 ( 3546 PWs) bands (ev): -8.8883 -8.8876 -8.8357 -8.8346 -8.3807 -8.3803 0.7428 0.7445 1.4731 1.5121 1.8337 1.8492 1.9806 2.0167 2.1133 2.1247 2.2157 2.3065 2.3387 2.3598 3.0455 3.0922 3.2992 3.3400 3.4879 3.5579 3.6885 3.7316 3.7615 3.8089 4.0947 4.1622 4.3205 4.3286 4.3584 4.4399 5.2282 5.2394 5.6599 5.7501 5.8513 5.8559 6.2112 6.3445 6.5563 6.6253 6.9285 6.9628 7.3364 7.3504 8.0084 8.0313 8.2356 8.2762 12.0186 12.0379 12.8617 12.8764 12.9615 12.9709 13.7658 13.8238 14.6067 14.6704 k = 0.4333 0.4041 0.2060 ( 3544 PWs) bands (ev): -8.8857 -8.8850 -8.8353 -8.8340 -8.3811 -8.3806 0.7452 0.7470 1.4788 1.5225 1.8344 1.8522 1.9791 2.0210 2.1132 2.1275 2.2084 2.3064 2.3432 2.3651 3.0414 3.0905 3.2881 3.3344 3.4823 3.5561 3.6843 3.7248 3.7587 3.8014 4.0949 4.1609 4.3264 4.3306 4.3608 4.4478 5.2438 5.2556 5.6687 5.7674 5.8616 5.8706 6.2117 6.3554 6.5249 6.6020 6.9124 6.9501 7.3292 7.3381 7.9679 7.9900 8.2558 8.2937 12.0677 12.0868 12.9135 12.9277 12.9806 12.9914 13.7588 13.8187 14.6111 14.6753 k = 0.4278 0.4138 0.2060 ( 3540 PWs) bands (ev): -8.8830 -8.8822 -8.8349 -8.8335 -8.3815 -8.3810 0.7477 0.7496 1.4848 1.5334 1.8351 1.8551 1.9776 2.0254 2.1128 2.1306 2.2012 2.3065 2.3479 2.3701 3.0376 3.0884 3.2769 3.3285 3.4769 3.5543 3.6800 3.7184 3.7554 3.7937 4.0966 4.1605 4.3316 4.3317 4.3630 4.4544 5.2610 5.2732 5.6772 5.7844 5.8720 5.8864 6.2129 6.3653 6.4928 6.5803 6.8969 6.9380 7.3230 7.3264 7.9228 7.9442 8.2768 8.3121 12.1211 12.1399 12.9514 12.9593 13.0225 13.0292 13.7509 13.8118 14.6163 14.6796 k = 0.4222 0.4234 0.2060 ( 3544 PWs) bands (ev): -8.8802 -8.8793 -8.8345 -8.8331 -8.3819 -8.3814 0.7501 0.7521 1.4910 1.5447 1.8359 1.8580 1.9759 2.0297 2.1120 2.1338 2.1944 2.3069 2.3526 2.3749 3.0340 3.0859 3.2657 3.3224 3.4718 3.5527 3.6757 3.7124 3.7518 3.7859 4.0996 4.1610 4.3312 4.3364 4.3650 4.4596 5.2797 5.2920 5.6854 5.8010 5.8823 5.9032 6.2149 6.3731 6.4604 6.5621 6.8820 6.9266 7.3152 7.3175 7.8743 7.8949 8.2978 8.3303 12.1784 12.1968 12.9739 12.9760 13.0820 13.0854 13.7419 13.8030 14.6223 14.6831 k = 0.4167 0.4330 0.2060 ( 3538 PWs) bands (ev): -8.8773 -8.8764 -8.8341 -8.8326 -8.3822 -8.3817 0.7526 0.7546 1.4973 1.5565 1.8367 1.8608 1.9742 2.0339 2.1107 2.1371 2.1880 2.3075 2.3574 2.3794 3.0307 3.0831 3.2548 3.3162 3.4669 3.5514 3.6713 3.7068 3.7479 3.7784 4.1039 4.1625 4.3297 4.3404 4.3668 4.4633 5.2999 5.3121 5.6929 5.8170 5.8919 5.9206 6.2175 6.3776 6.4286 6.5494 6.8680 6.9164 7.3045 7.3125 7.8230 7.8430 8.3182 8.3481 12.2393 12.2572 12.9896 12.9904 13.1471 13.1503 13.7319 13.7923 14.6290 14.6856 k = 0.4111 0.4426 0.2060 ( 3538 PWs) bands (ev): -8.8743 -8.8733 -8.8338 -8.8321 -8.3826 -8.3821 0.7549 0.7571 1.5036 1.5686 1.8375 1.8634 1.9724 2.0378 2.1087 2.1405 2.1821 2.3085 2.3620 2.3835 3.0279 3.0800 3.2442 3.3098 3.4625 3.5506 3.6666 3.7016 3.7437 3.7711 4.1093 4.1649 4.3269 4.3438 4.3684 4.4656 5.3214 5.3332 5.6996 5.8321 5.9003 5.9382 6.2203 6.3781 6.3983 6.5438 6.8549 6.9075 7.2941 7.3078 7.7696 7.7890 8.3378 8.3650 12.3033 12.3205 13.0029 13.0052 13.2146 13.2192 13.7208 13.7795 14.6361 14.6868 k = 0.4056 0.4523 0.2060 ( 3542 PWs) bands (ev): -8.8713 -8.8702 -8.8335 -8.8317 -8.3830 -8.3825 0.7572 0.7594 1.5099 1.5809 1.8385 1.8658 1.9705 2.0413 2.1061 2.1440 2.1769 2.3099 2.3663 2.3872 3.0256 3.0766 3.2343 3.3034 3.4584 3.5504 3.6618 3.6967 3.7394 3.7643 4.1158 4.1682 4.3231 4.3465 4.3698 4.4665 5.3441 5.3553 5.7055 5.8462 5.9067 5.9558 6.2226 6.3710 6.3750 6.5457 6.8430 6.9000 7.2839 7.3032 7.7147 7.7334 8.3562 8.3809 12.3698 12.3864 13.0164 13.0199 13.2835 13.2902 13.7087 13.7648 14.6434 14.6864 k = 0.4000 0.4619 0.2060 ( 3542 PWs) bands (ev): -8.8683 -8.8671 -8.8332 -8.8314 -8.3833 -8.3828 0.7594 0.7616 1.5160 1.5932 1.8396 1.8680 1.9687 2.0445 2.1029 2.1473 2.1723 2.3119 2.3704 2.3904 3.0239 3.0730 3.2250 3.2970 3.4547 3.5509 3.6569 3.6920 3.7350 3.7579 4.1232 4.1722 4.3183 4.3486 4.3708 4.4659 5.3678 5.3782 5.7104 5.8587 5.9105 5.9731 6.2224 6.3491 6.3704 6.5539 6.8323 6.8941 7.2737 7.2985 7.6589 7.6768 8.3734 8.3957 12.4384 12.4542 13.0305 13.0348 13.3530 13.3625 13.6957 13.7483 14.6506 14.6840 k = 0.3944 0.4715 0.2060 ( 3538 PWs) bands (ev): -8.8652 -8.8640 -8.8331 -8.8311 -8.3836 -8.3831 0.7615 0.7636 1.5219 1.6056 1.8409 1.8698 1.9668 2.0473 2.0990 2.1505 2.1685 2.3146 2.3741 2.3931 3.0227 3.0692 3.2165 3.2908 3.4514 3.5523 3.6518 3.6875 3.7307 3.7521 4.1314 4.1769 4.3128 4.3500 4.3715 4.4640 5.3925 5.4020 5.7142 5.8691 5.9108 5.9900 6.2174 6.3356 6.3668 6.5665 6.8229 6.8899 7.2634 7.2933 7.6029 7.6196 8.3894 8.4092 12.5084 12.5233 13.0451 13.0501 13.4225 13.4354 13.6824 13.7305 14.6570 14.6791 k = 0.3889 0.4811 0.2060 ( 3534 PWs) bands (ev): -8.8622 -8.8609 -8.8330 -8.8309 -8.3839 -8.3835 0.7634 0.7655 1.5274 1.6177 1.8423 1.8712 1.9650 2.0496 2.0947 2.1535 2.1654 2.3179 2.3774 2.3951 3.0221 3.0652 3.2089 3.2846 3.4485 3.5544 3.6466 3.6831 3.7267 3.7468 4.1403 4.1822 4.3067 4.3510 4.3719 4.4609 5.4179 5.4265 5.7169 5.8769 5.9072 6.0063 6.2065 6.3323 6.3661 6.5816 6.8151 6.8873 7.2529 7.2874 7.5475 7.5627 8.4040 8.4215 12.5790 12.5932 13.0601 13.0657 13.4900 13.5074 13.6703 13.7125 14.6620 14.6711 k = 0.3833 0.4907 0.2060 ( 3524 PWs) bands (ev): -8.8593 -8.8578 -8.8329 -8.8308 -8.3842 -8.3837 0.7652 0.7672 1.5326 1.6295 1.8439 1.8722 1.9634 2.0516 2.0900 2.1560 2.1628 2.3219 2.3801 2.3966 3.0222 3.0613 3.2022 3.2788 3.4461 3.5574 3.6414 3.6786 3.7230 3.7420 4.1498 4.1880 4.3001 4.3516 4.3721 4.4565 5.4438 5.4515 5.7185 5.8814 5.8996 6.0215 6.1922 6.3375 6.3696 6.5977 6.8090 6.8863 7.2420 7.2804 7.4937 7.5066 8.4172 8.4325 12.6496 12.6630 13.0756 13.0817 13.5495 13.5743 13.6655 13.6985 14.6593 14.6647 k = 0.3778 0.5004 0.2060 ( 3520 PWs) bands (ev): -8.8564 -8.8549 -8.8330 -8.8308 -8.3844 -8.3840 0.7669 0.7688 1.5373 1.6408 1.8456 1.8726 1.9620 2.0532 2.0851 2.1581 2.1608 2.3265 2.3824 2.3974 3.0228 3.0573 3.1963 3.2733 3.4440 3.5610 3.6362 3.6742 3.7197 3.7377 4.1598 4.1940 4.2931 4.3519 4.3720 4.4510 5.4701 5.4770 5.7189 5.8826 5.8883 6.0344 6.1784 6.3483 6.3775 6.6135 6.8050 6.8865 7.2306 7.2715 7.4430 7.4522 8.4291 8.4422 12.7193 12.7319 13.0912 13.0978 13.5813 13.6158 13.6875 13.7088 14.6430 14.6638 k = 0.3722 0.5100 0.2060 ( 3528 PWs) bands (ev): -8.8536 -8.8520 -8.8332 -8.8309 -8.3846 -8.3842 0.7683 0.7701 1.5415 1.6514 1.8474 1.8726 1.9608 2.0545 2.0803 2.1592 2.1597 2.3318 2.3840 2.3974 3.0240 3.0535 3.1914 3.2681 3.4423 3.5654 3.6312 3.6699 3.7171 3.7338 4.1701 4.2002 4.2859 4.3522 4.3719 4.4444 5.4967 5.5028 5.7180 5.8739 5.8802 6.0432 6.1693 6.3624 6.3896 6.6273 6.8035 6.8878 7.2185 7.2596 7.3974 7.4005 8.4395 8.4507 12.7871 12.7991 13.1067 13.1138 13.5792 13.6123 13.7424 13.7633 14.6210 14.6572 k = 0.3667 0.5196 0.2060 ( 3524 PWs) bands (ev): -8.8509 -8.8493 -8.8336 -8.8311 -8.3848 -8.3845 0.7696 0.7712 1.5451 1.6611 1.8494 1.8720 1.9599 2.0556 2.0757 2.1580 2.1607 2.3377 2.3851 2.3968 3.0256 3.0500 3.1873 3.2635 3.4409 3.5702 3.6263 3.6655 3.7150 3.7303 4.1805 4.2064 4.2786 4.3525 4.3718 4.4369 5.5231 5.5287 5.7156 5.8575 5.8744 6.0460 6.1675 6.3784 6.4050 6.6378 6.8052 6.8896 7.2058 7.2434 7.3529 7.3594 8.4487 8.4578 12.8521 12.8634 13.1218 13.1292 13.5644 13.5920 13.8091 13.8339 14.5926 14.6425 k = 0.3611 0.5292 0.2060 ( 3516 PWs) bands (ev): -8.8484 -8.8467 -8.8340 -8.8314 -8.3849 -8.3846 0.7707 0.7721 1.5481 1.6698 1.8514 1.8709 1.9592 2.0565 2.0714 2.1572 2.1613 2.3439 2.3857 2.3954 3.0275 3.0467 3.1840 3.2594 3.4398 3.5756 3.6216 3.6614 3.7135 3.7271 4.1908 4.2122 4.2713 4.3532 4.3719 4.4286 5.5492 5.5543 5.7116 5.8404 5.8657 6.0432 6.1729 6.3951 6.4227 6.6436 6.8103 6.8910 7.1923 7.2220 7.3108 7.3311 8.4564 8.4638 12.9130 12.9240 13.1359 13.1434 13.5462 13.5679 13.8787 13.9083 14.5570 14.6166 k = 0.3556 0.5389 0.2060 ( 3506 PWs) bands (ev): -8.8461 -8.8444 -8.8346 -8.8318 -8.3850 -8.3848 0.7716 0.7728 1.5506 1.6771 1.8534 1.8695 1.9589 2.0573 2.0677 2.1568 2.1615 2.3505 2.3857 2.3933 3.0296 3.0439 3.1815 3.2560 3.4390 3.5812 3.6171 3.6574 3.7127 3.7243 4.2008 4.2174 4.2642 4.3544 4.3724 4.4197 5.5746 5.5794 5.7056 5.8240 5.8544 6.0372 6.1827 6.4120 6.4410 6.6443 6.8186 6.8911 7.1783 7.1977 7.2759 7.3121 8.4629 8.4685 12.9687 12.9796 13.1481 13.1555 13.5274 13.5435 13.9484 13.9837 14.5139 14.5768 k = 0.3500 0.5485 0.2060 ( 3506 PWs) bands (ev): -8.8439 -8.8423 -8.8354 -8.8324 -8.3851 -8.3849 0.7723 0.7733 1.5524 1.6829 1.8555 1.8677 1.9588 2.0580 2.0645 2.1567 2.1612 2.3572 2.3853 2.3905 3.0317 3.0414 3.1797 3.2532 3.4385 3.5869 3.6129 3.6539 3.7125 3.7217 4.2102 4.2217 4.2574 4.3564 4.3736 4.4101 5.5986 5.6030 5.6970 5.8102 5.8416 6.0305 6.1937 6.4285 6.4581 6.6403 6.8293 6.8888 7.1647 7.1745 7.2492 7.2996 8.4680 8.4721 13.0174 13.0287 13.1575 13.1642 13.5099 13.5208 14.0167 14.0591 14.4644 14.5228 k = 0.3444 0.5581 0.2060 ( 3510 PWs) bands (ev): -8.8420 -8.8404 -8.8363 -8.8331 -8.3851 -8.3850 0.7729 0.7735 1.5537 1.6872 1.8576 1.8658 1.9587 2.0586 2.0621 2.1570 2.1606 2.3639 2.3846 2.3872 3.0337 3.0394 3.1784 3.2512 3.4381 3.5924 3.6089 3.6510 3.7129 3.7193 4.2185 4.2250 4.2511 4.3592 4.3756 4.4002 5.6205 5.6240 5.6853 5.8011 5.8281 6.0246 6.2035 6.4442 6.4712 6.6336 6.8411 6.8834 7.1532 7.1563 7.2308 7.2916 8.4718 8.4744 13.0572 13.0696 13.1629 13.1681 13.4954 13.5019 14.0811 14.1335 14.4116 14.4577 k = 0.3389 0.5677 0.2060 ( 3510 PWs) bands (ev): -8.8403 -8.8391 -8.8374 -8.8337 -8.3851 -8.3851 0.7733 0.7736 1.5544 1.6898 1.8597 1.8637 1.9588 2.0591 2.0604 2.1577 2.1597 2.3700 2.3835 2.3837 3.0353 3.0377 3.1777 3.2500 3.4379 3.5975 3.6052 3.6489 3.7139 3.7172 4.2248 4.2269 4.2461 4.3626 4.3786 4.3905 5.6391 5.6410 5.6704 5.7986 5.8152 6.0205 6.2102 6.4586 6.4768 6.6273 6.8531 6.8749 7.1453 7.1456 7.2202 7.2869 8.4744 8.4756 13.0851 13.0996 13.1644 13.1668 13.4861 13.4889 14.1349 14.2041 14.3641 14.3886 k = 0.3333 0.5774 0.2060 ( 3510 PWs) bands (ev): -8.8391 -8.8385 -8.8385 -8.8340 -8.3851 -8.3851 0.7735 0.7735 1.5547 1.6906 1.8617 1.8617 1.9588 2.0596 2.0596 2.1586 2.1586 2.3733 2.3822 2.3822 3.0366 3.0366 3.1775 3.2496 3.4379 3.6016 3.6016 3.6482 3.7154 3.7154 4.2275 4.2275 4.2440 4.3649 4.3829 4.3829 5.6520 5.6529 5.6529 5.8042 5.8042 6.0190 6.2126 6.4713 6.4713 6.6249 6.8645 6.8645 7.1423 7.1423 7.2167 7.2854 8.4756 8.4756 13.0956 13.1119 13.1642 13.1642 13.4836 13.4836 14.1590 14.2472 14.3433 14.3433 k = 0.3333 0.5774 0.2060 ( 3510 PWs) bands (ev): -8.8391 -8.8385 -8.8385 -8.8340 -8.3851 -8.3851 0.7735 0.7735 1.5547 1.6906 1.8617 1.8617 1.9588 2.0596 2.0596 2.1586 2.1586 2.3733 2.3822 2.3822 3.0366 3.0366 3.1775 3.2496 3.4379 3.6016 3.6016 3.6482 3.7154 3.7154 4.2275 4.2275 4.2440 4.3649 4.3829 4.3829 5.6520 5.6529 5.6529 5.8042 5.8042 6.0190 6.2126 6.4713 6.4713 6.6249 6.8645 6.8645 7.1423 7.1423 7.2167 7.2854 8.4756 8.4756 13.0956 13.1119 13.1642 13.1642 13.4836 13.4836 14.1590 14.2472 14.3433 14.3433 k = 0.3277 0.5676 0.2060 ( 3510 PWs) bands (ev): -8.8403 -8.8389 -8.8375 -8.8337 -8.3851 -8.3851 0.7733 0.7737 1.5544 1.6898 1.8597 1.8637 1.9588 2.0596 2.0600 2.1574 2.1600 2.3703 2.3807 2.3861 3.0358 3.0373 3.1777 3.2500 3.4379 3.5981 3.6044 3.6491 3.7138 3.7173 4.2255 4.2267 4.2457 4.3606 4.3827 4.3885 5.6325 5.6573 5.6603 5.7960 5.8178 6.0208 6.2100 6.4536 6.4817 6.6271 6.8533 6.8752 7.1433 7.1474 7.2202 7.2870 8.4744 8.4755 13.0846 13.0989 13.1650 13.1662 13.4867 13.4885 14.1354 14.2023 14.3699 14.3860 k = 0.3220 0.5578 0.2060 ( 3508 PWs) bands (ev): -8.8421 -8.8402 -8.8366 -8.8331 -8.3851 -8.3850 0.7728 0.7736 1.5539 1.6873 1.8577 1.8657 1.9586 2.0602 2.0604 2.1561 2.1616 2.3649 2.3791 2.3916 3.0353 3.0373 3.1783 3.2512 3.4380 3.5947 3.6056 3.6518 3.7125 3.7196 4.2213 4.2246 4.2486 4.3510 4.3887 4.3953 5.6110 5.6568 5.6603 5.7910 5.8380 6.0266 6.2023 6.4267 6.4891 6.6318 6.8434 6.8853 7.1481 7.1600 7.2302 7.2921 8.4720 8.4741 13.0553 13.0669 13.1628 13.1662 13.4977 13.5006 14.0865 14.1314 14.4239 14.4577 k = 0.3164 0.5480 0.2060 ( 3512 PWs) bands (ev): -8.8440 -8.8419 -8.8360 -8.8326 -8.3851 -8.3849 0.7722 0.7734 1.5530 1.6835 1.8557 1.8675 1.9583 2.0603 2.0620 2.1548 2.1635 2.3586 2.3775 2.3971 3.0352 3.0367 3.1791 3.2533 3.4382 3.5912 3.6055 3.6561 3.7115 3.7222 4.2168 4.2213 4.2511 4.3400 4.3969 4.4032 5.5890 5.6519 5.6539 5.7874 5.8624 6.0369 6.1902 6.3939 6.4925 6.6362 6.8359 6.8948 7.1569 7.1790 7.2457 7.3007 8.4683 8.4712 13.0130 13.0230 13.1538 13.1585 13.5149 13.5184 14.0329 14.0620 14.4867 14.5332 k = 0.3107 0.5382 0.2060 ( 3518 PWs) bands (ev): -8.8462 -8.8439 -8.8357 -8.8324 -8.3851 -8.3848 0.7715 0.7731 1.5519 1.6785 1.8536 1.8692 1.9578 2.0602 2.0643 2.1536 2.1655 2.3519 2.3760 2.4020 3.0354 3.0355 3.1803 3.2560 3.4384 3.5878 3.6043 3.6616 3.7110 3.7248 4.2124 4.2171 4.2528 4.3287 4.4060 4.4119 5.5667 5.6428 5.6437 5.7827 5.8895 6.0516 6.1753 6.3583 6.4913 6.6385 6.8313 6.9040 7.1700 7.2036 7.2657 7.3127 8.4633 8.4670 12.9611 12.9704 13.1366 13.1421 13.5364 13.5403 13.9825 13.9989 14.5524 14.6098 k = 0.3051 0.5284 0.2060 ( 3518 PWs) bands (ev): -8.8487 -8.8462 -8.8358 -8.8324 -8.3851 -8.3847 0.7706 0.7727 1.5506 1.6725 1.8513 1.8708 1.9573 2.0600 2.0672 2.1525 2.1676 2.3448 2.3747 2.4064 3.0336 3.0358 3.1816 3.2594 3.4386 3.5842 3.6025 3.6677 3.7108 3.7276 4.2083 4.2120 4.2539 4.3173 4.4155 4.4210 5.5445 5.6289 5.6327 5.7747 5.9179 6.0695 6.1601 6.3220 6.4851 6.6378 6.8299 6.9130 7.1876 7.2331 7.2891 7.3278 8.4570 8.4614 12.9016 12.9112 13.1114 13.1173 13.5600 13.5645 13.9388 13.9446 14.6191 14.6865 k = 0.2994 0.5186 0.2060 ( 3510 PWs) bands (ev): -8.8514 -8.8488 -8.8361 -8.8327 -8.3851 -8.3846 0.7696 0.7722 1.5494 1.6658 1.8489 1.8722 1.9567 2.0595 2.0706 2.1516 2.1698 2.3375 2.3734 2.4101 3.0313 3.0364 3.1830 3.2632 3.4389 3.5805 3.6004 3.6742 3.7110 3.7302 4.2045 4.2063 4.2543 4.3061 4.4252 4.4303 5.5225 5.6134 5.6193 5.7623 5.9468 6.0871 6.1495 6.2865 6.4737 6.6342 6.8316 6.9220 7.2095 7.2666 7.3151 7.3456 8.4493 8.4544 12.8363 12.8466 13.0790 13.0851 13.5834 13.5892 13.9014 13.9040 14.6861 14.7631 k = 0.2938 0.5089 0.2060 ( 3518 PWs) bands (ev): -8.8543 -8.8516 -8.8369 -8.8334 -8.3851 -8.3846 0.7685 0.7715 1.5482 1.6587 1.8463 1.8734 1.9560 2.0587 2.0743 2.1508 2.1720 2.3300 2.3723 2.4131 3.0285 3.0370 3.1845 3.2674 3.4391 3.5766 3.5981 3.6807 3.7117 3.7328 4.2000 4.2011 4.2542 4.2951 4.4347 4.4394 5.5008 5.5970 5.6035 5.7449 5.9752 6.0947 6.1536 6.2530 6.4573 6.6279 6.8361 6.9311 7.2351 7.3033 7.3434 7.3658 8.4403 8.4459 12.7666 12.7780 13.0402 13.0464 13.6033 13.6118 13.8719 13.8805 14.7530 14.8395 k = 0.2881 0.4991 0.2060 ( 3518 PWs) bands (ev): -8.8575 -8.8548 -8.8379 -8.8344 -8.3850 -8.3845 0.7673 0.7708 1.5471 1.6512 1.8435 1.8744 1.9554 2.0577 2.0781 2.1503 2.1742 2.3224 2.3713 2.4154 3.0255 3.0377 3.1859 3.2719 3.4393 3.5725 3.5958 3.6870 3.7129 3.7352 4.1933 4.1979 4.2537 4.2844 4.4438 4.4480 5.4795 5.5801 5.5854 5.7226 6.0025 6.0901 6.1753 6.2227 6.4365 6.6199 6.8430 6.9404 7.2635 7.3418 7.3735 7.3884 8.4300 8.4359 12.6939 12.7065 12.9962 13.0024 13.6163 13.6298 13.8592 13.8707 14.8197 14.9154 k = 0.2825 0.4893 0.2060 ( 3518 PWs) bands (ev): -8.8609 -8.8581 -8.8394 -8.8358 -8.3850 -8.3844 0.7660 0.7699 1.5462 1.6437 1.8404 1.8750 1.9548 2.0565 2.0820 2.1501 2.1765 2.3147 2.3705 2.4169 3.0222 3.0384 3.1874 3.2764 3.4395 3.5682 3.5936 3.6929 3.7144 3.7373 4.1863 4.1949 4.2530 4.2741 4.4522 4.4560 5.4585 5.5627 5.5650 5.6959 6.0273 6.0825 6.1966 6.2050 6.4124 6.6110 6.8521 6.9502 7.2936 7.3796 7.4056 7.4148 8.4182 8.4246 12.6193 12.6332 12.9479 12.9541 13.6204 13.6410 13.8649 13.8762 14.8863 14.9910 k = 0.2768 0.4795 0.2060 ( 3526 PWs) bands (ev): -8.8646 -8.8618 -8.8412 -8.8376 -8.3851 -8.3844 0.7646 0.7689 1.5456 1.6361 1.8371 1.8754 1.9543 2.0551 2.0857 2.1501 2.1789 2.3071 2.3696 2.4175 3.0189 3.0390 3.1887 3.2809 3.4397 3.5637 3.5916 3.6981 3.7164 3.7394 4.1790 4.1922 4.2520 4.2641 4.4599 4.4630 5.4379 5.5423 5.5449 5.6656 6.0481 6.0764 6.1762 6.2376 6.3861 6.6025 6.8629 6.9605 7.3244 7.4122 7.4394 7.4485 8.4051 8.4118 12.5440 12.5590 12.8960 12.9022 13.6171 13.6455 13.8867 13.8965 14.9525 15.0660 k = 0.2712 0.4697 0.2060 ( 3530 PWs) bands (ev): -8.8685 -8.8657 -8.8434 -8.8397 -8.3851 -8.3843 0.7632 0.7679 1.5453 1.6287 1.8336 1.8754 1.9540 2.0536 2.0891 2.1503 2.1815 2.2996 2.3687 2.4174 3.0157 3.0395 3.1900 3.2854 3.4400 3.5592 3.5898 3.7025 3.7187 3.7414 4.1715 4.1896 4.2508 4.2544 4.4666 4.4688 5.4175 5.5178 5.5263 5.6329 6.0620 6.0728 6.1636 6.2697 6.3605 6.5957 6.8753 6.9714 7.3548 7.4385 7.4750 7.4894 8.3908 8.3978 12.4688 12.4849 12.8413 12.8476 13.6102 13.6458 13.9206 13.9287 15.0185 15.1407 k = 0.2655 0.4599 0.2060 ( 3526 PWs) bands (ev): -8.8727 -8.8698 -8.8459 -8.8422 -8.3851 -8.3843 0.7616 0.7667 1.5453 1.6216 1.8299 1.8751 1.9538 2.0520 2.0921 2.1507 2.1842 2.2922 2.3677 2.4165 3.0125 3.0397 3.1911 3.2896 3.4403 3.5545 3.5882 3.7057 3.7214 3.7435 4.1639 4.1870 4.2450 4.2494 4.4722 4.4734 5.3974 5.4919 5.5064 5.5993 6.0663 6.0714 6.1607 6.2904 6.3466 6.5915 6.8889 6.9829 7.3842 7.4615 7.5123 7.5337 8.3754 8.3826 12.3944 12.4116 12.7844 12.7908 13.6028 13.6447 13.9628 13.9697 15.0842 15.2150 k = 0.2599 0.4501 0.2060 ( 3530 PWs) bands (ev): -8.8771 -8.8742 -8.8488 -8.8451 -8.3852 -8.3843 0.7601 0.7655 1.5457 1.6147 1.8261 1.8744 1.9538 2.0503 2.0946 2.1513 2.1873 2.2849 2.3664 2.4147 3.0095 3.0397 3.1920 3.2935 3.4406 3.5499 3.5870 3.7077 3.7243 3.7456 4.1563 4.1845 4.2360 4.2478 4.4765 4.4766 5.3772 5.4649 5.4844 5.5663 6.0620 6.0714 6.1660 6.2797 6.3656 6.5913 6.9036 6.9952 7.4119 7.4828 7.5509 7.5790 8.3591 8.3665 12.3215 12.3396 12.7258 12.7324 13.5969 13.6439 14.0111 14.0174 15.1496 15.2891 k = 0.2542 0.4404 0.2060 ( 3526 PWs) bands (ev): -8.8818 -8.8789 -8.8521 -8.8484 -8.3853 -8.3844 0.7584 0.7641 1.5464 1.6083 1.8221 1.8734 1.9539 2.0487 2.0967 2.1520 2.1906 2.2778 2.3650 2.4123 3.0068 3.0392 3.1928 3.2969 3.4411 3.5454 3.5862 3.7084 3.7274 3.7478 4.1488 4.1819 4.2273 4.2460 4.4780 4.4796 5.3567 5.4376 5.4589 5.5358 6.0525 6.0715 6.1754 6.2568 6.3995 6.5955 6.9192 7.0082 7.4377 7.5027 7.5901 7.6240 8.3421 8.3498 12.2505 12.2694 12.6660 12.6726 13.5933 13.6446 14.0642 14.0703 15.2147 15.3628 k = 0.2486 0.4306 0.2060 ( 3526 PWs) bands (ev): -8.8867 -8.8838 -8.8558 -8.8520 -8.3854 -8.3844 0.7567 0.7626 1.5475 1.6023 1.8180 1.8720 1.9543 2.0471 2.0982 2.1528 2.1942 2.2709 2.3632 2.4090 3.0044 3.0384 3.1934 3.3000 3.4416 3.5410 3.5857 3.7080 3.7306 3.7500 4.1414 4.1793 4.2187 4.2439 4.4779 4.4813 5.3358 5.4108 5.4294 5.5091 6.0403 6.0692 6.1860 6.2359 6.4363 6.6045 6.9358 7.0218 7.4616 7.5212 7.6294 7.6681 8.3250 8.3327 12.1817 12.2014 12.6053 12.6120 13.5926 13.6473 14.1214 14.1277 15.2795 15.4362 k = 0.2429 0.4208 0.2060 ( 3520 PWs) bands (ev): -8.8918 -8.8889 -8.8598 -8.8560 -8.3855 -8.3845 0.7550 0.7609 1.5490 1.5967 1.8138 1.8702 1.9548 2.0455 2.0993 2.1538 2.1980 2.2642 2.3610 2.4051 3.0023 3.0370 3.1939 3.3025 3.4422 3.5368 3.5857 3.7066 3.7339 3.7520 4.1341 4.1766 4.2104 4.2416 4.4761 4.4815 5.3140 5.3851 5.3963 5.4861 6.0266 6.0619 6.1971 6.2223 6.4737 6.6179 6.9532 7.0362 7.4836 7.5383 7.6678 7.7103 8.3082 8.3158 12.1154 12.1358 12.5438 12.5507 13.5948 13.6522 14.1822 14.1892 15.3438 15.5084 k = 0.2373 0.4110 0.2060 ( 3524 PWs) bands (ev): -8.8972 -8.8943 -8.8642 -8.8604 -8.3856 -8.3845 0.7532 0.7592 1.5507 1.5916 1.8095 1.8682 1.9555 2.0441 2.1000 2.1548 2.2019 2.2576 2.3584 2.4005 3.0006 3.0350 3.1942 3.3045 3.4430 3.5328 3.5859 3.7044 3.7371 3.7537 4.1271 4.1737 4.2022 4.2389 4.4727 4.4802 5.2911 5.3610 5.3612 5.4656 6.0115 6.0478 6.2087 6.2185 6.5107 6.6353 6.9713 7.0513 7.5036 7.5540 7.7046 7.7499 8.2925 8.2998 12.0515 12.0726 12.4818 12.4888 13.5999 13.6595 14.2464 14.2544 15.4072 15.5762 k = 0.2316 0.4012 0.2060 ( 3524 PWs) bands (ev): -8.9027 -8.8999 -8.8689 -8.8651 -8.3857 -8.3846 0.7513 0.7573 1.5527 1.5870 1.8052 1.8661 1.9564 2.0427 2.1004 2.1558 2.2057 2.2513 2.3555 2.3952 2.9992 3.0325 3.1945 3.3059 3.4439 3.5292 3.5864 3.7017 3.7403 3.7548 4.1203 4.1706 4.1941 4.2358 4.4676 4.4775 5.2673 5.3249 5.3393 5.4466 5.9953 6.0274 6.2213 6.2242 6.5470 6.6558 6.9902 7.0672 7.5219 7.5683 7.7388 7.7858 8.2788 8.2854 11.9903 12.0121 12.4195 12.4266 13.6079 13.6690 14.3139 14.3232 15.4692 15.6278 k = 0.2260 0.3914 0.2060 ( 3532 PWs) bands (ev): -8.9085 -8.9057 -8.8741 -8.8703 -8.3858 -8.3847 0.7493 0.7552 1.5548 1.5828 1.8008 1.8638 1.9574 2.0413 2.1006 2.1569 2.2094 2.2451 2.3522 2.3894 2.9982 3.0293 3.1948 3.3068 3.4450 3.5258 3.5871 3.6986 3.7433 3.7554 4.1138 4.1673 4.1861 4.2323 4.4611 4.4734 5.2428 5.2888 5.3195 5.4284 5.9780 6.0033 6.2354 6.2371 6.5821 6.6785 7.0099 7.0837 7.5384 7.5809 7.7694 7.8169 8.2684 8.2735 11.9317 11.9540 12.3569 12.3642 13.6185 13.6807 14.3845 14.3954 15.5281 15.6461 k = 0.2203 0.3816 0.2060 ( 3530 PWs) bands (ev): -8.9145 -8.9117 -8.8795 -8.8757 -8.3859 -8.3848 0.7473 0.7530 1.5570 1.5789 1.7964 1.8615 1.9586 2.0399 2.1007 2.1579 2.2128 2.2391 2.3486 2.3831 2.9976 3.0256 3.1951 3.3071 3.4461 3.5228 3.5879 3.6953 3.7460 3.7552 4.1077 4.1638 4.1781 4.2285 4.4533 4.4680 5.2182 5.2533 5.3014 5.4106 5.9601 5.9776 6.2511 6.2553 6.6157 6.7024 7.0302 7.1010 7.5532 7.5921 7.7954 7.8421 8.2625 8.2652 11.8755 11.8983 12.2942 12.3015 13.6318 13.6946 14.4579 14.4707 15.5801 15.6377 k = 0.2147 0.3719 0.2060 ( 3530 PWs) bands (ev): -8.9206 -8.9178 -8.8853 -8.8815 -8.3860 -8.3849 0.7452 0.7506 1.5592 1.5755 1.7920 1.8594 1.9598 2.0384 2.1008 2.1590 2.2157 2.2331 2.3447 2.3764 2.9974 3.0212 3.1954 3.3070 3.4474 3.5202 3.5886 3.6921 3.7485 3.7544 4.1019 4.1601 4.1701 4.2242 4.4443 4.4615 5.1939 5.2188 5.2847 5.3930 5.9418 5.9518 6.2687 6.2772 6.6475 6.7269 7.0514 7.1190 7.5666 7.6017 7.8161 7.8606 8.2614 8.2623 11.8216 11.8449 12.2313 12.2387 13.6475 13.7104 14.5337 14.5488 15.6114 15.6169 k = 0.2090 0.3621 0.2060 ( 3534 PWs) bands (ev): -8.9270 -8.9242 -8.8914 -8.8877 -8.3861 -8.3850 0.7430 0.7480 1.5612 1.5724 1.7875 1.8574 1.9611 2.0367 2.1010 2.1600 2.2179 2.2273 2.3406 2.3693 2.9976 3.0162 3.1958 3.3065 3.4488 3.5179 3.5891 3.6890 3.7506 3.7529 4.0966 4.1560 4.1620 4.2195 4.4344 4.4539 5.1704 5.1856 5.2692 5.3754 5.9236 5.9269 6.2880 6.3020 6.6771 6.7511 7.0732 7.1377 7.5785 7.6098 7.8307 7.8718 8.2629 8.2684 11.7699 11.7936 12.1684 12.1758 13.6654 13.7280 14.6115 14.6290 15.5715 15.6253 k = 0.2034 0.3523 0.2060 ( 3534 PWs) bands (ev): -8.9335 -8.9307 -8.8978 -8.8941 -8.3862 -8.3851 0.7407 0.7453 1.5630 1.5695 1.7830 1.8557 1.9625 2.0349 2.1014 2.1611 2.2194 2.2216 2.3364 2.3619 2.9981 3.0107 3.1963 3.3056 3.4502 3.5160 3.5892 3.6862 3.7506 3.7523 4.0916 4.1515 4.1540 4.2145 4.4240 4.4454 5.1478 5.1537 5.2546 5.3577 5.9033 5.9057 6.3089 6.3289 6.7043 6.7744 7.0957 7.1572 7.5893 7.6166 7.8396 7.8764 8.2697 8.2806 11.7201 11.7441 12.1053 12.1128 13.6854 13.7473 14.6901 14.7104 15.5216 15.5997 k = 0.1977 0.3425 0.2060 ( 3542 PWs) bands (ev): -8.9401 -8.9374 -8.9045 -8.9008 -8.3862 -8.3851 0.7382 0.7423 1.5644 1.5668 1.7785 1.8545 1.9639 2.0327 2.1019 2.1620 2.2160 2.2200 2.3323 2.3542 2.9991 3.0048 3.1970 3.3044 3.4517 3.5144 3.5888 3.6838 3.7477 3.7535 4.0871 4.1458 4.1465 4.2093 4.4132 4.4363 5.1234 5.1265 5.2407 5.3399 5.8815 5.8885 6.3311 6.3574 6.7288 6.7963 7.1187 7.1773 7.5990 7.6220 7.8432 7.8755 8.2817 8.2982 11.6720 11.6964 12.0422 12.0498 13.7073 13.7682 14.7675 14.7908 15.4662 15.5512 k = 0.1921 0.3327 0.2060 ( 3546 PWs) bands (ev): -8.9469 -8.9442 -8.9114 -8.9079 -8.3862 -8.3851 0.7356 0.7392 1.5642 1.5654 1.7741 1.8536 1.9652 2.0301 2.1026 2.1630 2.2105 2.2196 2.3282 2.3464 2.9986 3.0006 3.1977 3.3030 3.4531 3.5132 3.5878 3.6818 3.7442 3.7542 4.0830 4.1376 4.1409 4.2042 4.4024 4.4266 5.0947 5.1063 5.2275 5.3221 5.8616 5.8723 6.3545 6.3871 6.7505 6.8163 7.1422 7.1979 7.6079 7.6264 7.8429 7.8708 8.2977 8.3198 11.6254 11.6500 11.9790 11.9866 13.7309 13.7904 14.8395 14.8660 15.4114 15.4952 k = 0.1864 0.3229 0.2060 ( 3546 PWs) bands (ev): -8.9537 -8.9511 -8.9187 -8.9151 -8.3862 -8.3851 0.7328 0.7358 1.5618 1.5658 1.7696 1.8533 1.9665 2.0272 2.1035 2.1639 2.2051 2.2183 2.3241 2.3384 2.9922 3.0025 3.1986 3.3015 3.4545 3.5122 3.5861 3.6801 3.7402 3.7543 4.0794 4.1295 4.1345 4.1993 4.3918 4.4166 5.0676 5.0875 5.2149 5.3044 5.8436 5.8571 6.3789 6.4175 6.7692 6.8340 7.1659 7.2189 7.6164 7.6300 7.8399 7.8641 8.3169 8.3440 11.5801 11.6049 11.9158 11.9234 13.7560 13.8140 14.8969 14.9272 15.3680 15.4473 k = 0.1808 0.3131 0.2060 ( 3542 PWs) bands (ev): -8.9607 -8.9581 -8.9261 -8.9226 -8.3861 -8.3851 0.7299 0.7322 1.5593 1.5656 1.7652 1.8534 1.9677 2.0238 2.1047 2.1648 2.1998 2.2159 2.3202 2.3304 2.9857 3.0049 3.1997 3.2999 3.4559 3.5115 3.5837 3.6787 3.7359 3.7539 4.0760 4.1213 4.1273 4.1948 4.3816 4.4065 5.0422 5.0699 5.2027 5.2867 5.8275 5.8432 6.4039 6.4485 6.7847 6.8490 7.1895 7.2402 7.6247 7.6332 7.8357 7.8566 8.3381 8.3699 11.5359 11.5608 11.8526 11.8602 13.7824 13.8385 14.9238 14.9589 15.3533 15.4267 k = 0.1751 0.3034 0.2060 ( 3546 PWs) bands (ev): -8.9677 -8.9652 -8.9338 -8.9304 -8.3860 -8.3850 0.7268 0.7284 1.5567 1.5647 1.7609 1.8540 1.9687 2.0199 2.1060 2.1656 2.1946 2.2127 2.3163 2.3223 2.9793 3.0079 3.2010 3.2983 3.4571 3.5111 3.5807 3.6773 3.7313 3.7529 4.0730 4.1133 4.1194 4.1909 4.3719 4.3965 5.0185 5.0536 5.1910 5.2692 5.8133 5.8305 6.4294 6.4796 6.7972 6.8611 7.2129 7.2612 7.6333 7.6366 7.8315 7.8497 8.3603 8.3963 11.4925 11.5175 11.7895 11.7970 13.8100 13.8640 14.9073 14.9467 15.3813 15.4497 k = 0.1695 0.2936 0.2060 ( 3548 PWs) bands (ev): -8.9748 -8.9723 -8.9416 -8.9383 -8.3859 -8.3849 0.7234 0.7244 1.5540 1.5632 1.7565 1.8549 1.9695 2.0157 2.1075 2.1661 2.1898 2.2087 2.3124 2.3142 2.9730 3.0114 3.2024 3.2968 3.4582 3.5108 3.5772 3.6757 3.7267 3.7514 4.0701 4.1055 4.1107 4.1877 4.3628 4.3866 4.9965 5.0384 5.1797 5.2520 5.8007 5.8191 6.4550 6.5106 6.8067 6.8702 7.2354 7.2815 7.6408 7.6428 7.8280 7.8440 8.3829 8.4228 11.4499 11.4749 11.7264 11.7339 13.8385 13.8903 14.8538 14.8948 15.4465 15.5131 k = 0.1638 0.2838 0.2060 ( 3540 PWs) bands (ev): -8.9819 -8.9795 -8.9496 -8.9463 -8.3857 -8.3848 0.7199 0.7201 1.5512 1.5609 1.7523 1.8561 1.9702 2.0112 2.1091 2.1662 2.1854 2.2042 2.3061 2.3084 2.9671 3.0155 3.2041 3.2955 3.4592 3.5108 3.5732 3.6738 3.7222 3.7493 4.0673 4.0982 4.1016 4.1852 4.3544 4.3772 4.9762 5.0244 5.1687 5.2351 5.7896 5.8089 6.4808 6.5412 6.8133 6.8765 7.2567 7.3006 7.6468 7.6538 7.8261 7.8401 8.4053 8.4488 11.4077 11.4326 11.6635 11.6709 13.8678 13.9172 14.7783 14.8187 15.5345 15.6025 k = 0.1582 0.2740 0.2060 ( 3546 PWs) bands (ev): -8.9890 -8.9867 -8.9577 -8.9545 -8.3855 -8.3846 0.7156 0.7160 1.5481 1.5580 1.7481 1.8572 1.9706 2.0064 2.1107 2.1655 2.1817 2.1992 2.2979 2.3043 2.9617 3.0201 3.2060 3.2943 3.4599 3.5110 3.5688 3.6713 3.7181 3.7466 4.0643 4.0914 4.0923 4.1834 4.3466 4.3681 4.9577 5.0115 5.1580 5.2185 5.7797 5.7999 6.5064 6.5713 6.8175 6.8800 7.2761 7.3177 7.6551 7.6669 7.8261 7.8384 8.4269 8.4739 11.3660 11.3907 11.6008 11.6082 13.8976 13.9444 14.6910 14.7296 15.6357 15.7069 k = 0.1525 0.2642 0.2060 ( 3544 PWs) bands (ev): -8.9961 -8.9938 -8.9659 -8.9628 -8.3852 -8.3843 0.7108 0.7120 1.5448 1.5545 1.7440 1.8583 1.9708 2.0017 2.1123 2.1636 2.1793 2.1940 2.2898 2.2998 2.9569 3.0253 3.2081 3.2933 3.4604 3.5114 3.5640 3.6681 3.7143 3.7435 4.0610 4.0830 4.0856 4.1821 4.3395 4.3596 4.9408 4.9995 5.1477 5.2024 5.7710 5.7919 6.5317 6.6006 6.8196 6.8811 7.2930 7.3321 7.6666 7.6828 7.8283 7.8391 8.4475 8.4978 11.3246 11.3489 11.5385 11.5460 13.9279 13.9720 14.5971 14.6335 15.7454 15.8209 k = 0.1469 0.2544 0.2060 ( 3544 PWs) bands (ev): -9.0032 -9.0010 -8.9742 -8.9712 -8.3849 -8.3841 0.7058 0.7076 1.5411 1.5504 1.7400 1.8590 1.9708 1.9971 2.1137 2.1602 2.1781 2.1888 2.2816 2.2951 2.9529 3.0311 3.2104 3.2926 3.4607 3.5119 3.5591 3.6642 3.7110 3.7400 4.0571 4.0740 4.0807 4.1812 4.3330 4.3517 4.9256 4.9885 5.1375 5.1868 5.7631 5.7848 6.5567 6.6290 6.8201 6.8803 7.3069 7.3432 7.6816 7.7021 7.8326 7.8424 8.4668 8.5203 11.2834 11.3072 11.4767 11.4843 13.9582 13.9996 14.4992 14.5334 15.8609 15.9415 k = 0.1412 0.2446 0.2060 ( 3540 PWs) bands (ev): -9.0103 -9.0081 -8.9825 -8.9796 -8.3846 -8.3837 0.7006 0.7030 1.5372 1.5457 1.7361 1.8591 1.9705 1.9929 2.1148 2.1558 2.1778 2.1837 2.2734 2.2901 2.9497 3.0373 3.2130 3.2922 3.4608 3.5125 3.5540 3.6597 3.7081 3.7362 4.0527 4.0656 4.0770 4.1807 4.3270 4.3443 4.9120 4.9785 5.1276 5.1716 5.7559 5.7785 6.5812 6.6565 6.8195 6.8781 7.3174 7.3509 7.7001 7.7252 7.8390 7.8486 8.4846 8.5413 11.2423 11.2655 11.4156 11.4233 13.9885 14.0269 14.3991 14.4313 15.9811 16.0670 k = 0.1356 0.2349 0.2060 ( 3532 PWs) bands (ev): -9.0173 -9.0152 -8.9908 -8.9880 -8.3842 -8.3834 0.6951 0.6981 1.5329 1.5406 1.7324 1.8585 1.9701 1.9893 2.1155 2.1508 2.1778 2.1789 2.2653 2.2847 2.9474 3.0439 3.2159 3.2922 3.4606 3.5134 3.5488 3.6547 3.7056 3.7322 4.0480 4.0577 4.0742 4.1804 4.3216 4.3375 4.9001 4.9693 5.1179 5.1569 5.7491 5.7726 6.6053 6.6829 6.8183 6.8751 7.3244 7.3550 7.7214 7.7522 7.8475 7.8580 8.5006 8.5606 11.2015 11.2237 11.3553 11.3634 14.0185 14.0536 14.2978 14.3285 16.1048 16.1964 k = 0.1299 0.2251 0.2060 ( 3528 PWs) bands (ev): -9.0241 -9.0221 -8.9991 -8.9964 -8.3838 -8.3830 0.6895 0.6930 1.5283 1.5351 1.7289 1.8571 1.9693 1.9863 2.1157 2.1453 2.1744 2.1779 2.2573 2.2792 2.9461 3.0508 3.2190 3.2924 3.4602 3.5144 3.5437 3.6493 3.7034 3.7281 4.0433 4.0507 4.0720 4.1803 4.3165 4.3312 4.8898 4.9609 5.1083 5.1426 5.7425 5.7671 6.6288 6.7082 6.8172 6.8718 7.3280 7.3558 7.7442 7.7829 7.8577 7.8713 8.5149 8.5781 11.1607 11.1818 11.2961 11.3048 14.0475 14.0780 14.1967 14.2273 16.2316 16.3288 k = 0.1243 0.2153 0.2060 ( 3538 PWs) bands (ev): -9.0309 -9.0290 -9.0074 -9.0048 -8.3833 -8.3826 0.6836 0.6876 1.5234 1.5292 1.7256 1.8548 1.9684 1.9842 2.1154 2.1394 2.1704 2.1777 2.2496 2.2735 2.9458 3.0579 3.2225 3.2930 3.4595 3.5156 3.5386 3.6435 3.7015 3.7239 4.0389 4.0444 4.0703 4.1803 4.3119 4.3254 4.8810 4.9533 5.0987 5.1288 5.7359 5.7618 6.6518 6.7324 6.8166 6.8689 7.3284 7.3539 7.7670 7.8168 7.8695 7.8894 8.5272 8.5937 11.1201 11.1396 11.2383 11.2478 14.0659 14.0830 14.1056 14.1452 16.3606 16.4636 k = 0.1186 0.2055 0.2060 ( 3542 PWs) bands (ev): -9.0376 -9.0357 -9.0155 -9.0131 -8.3828 -8.3821 0.6775 0.6819 1.5181 1.5230 1.7225 1.8515 1.9673 1.9828 2.1144 2.1331 2.1668 2.1773 2.2422 2.2677 2.9466 3.0652 3.2262 3.2938 3.4586 3.5171 3.5339 3.6374 3.6999 3.7199 4.0348 4.0389 4.0688 4.1802 4.3076 4.3200 4.8737 4.9464 5.0893 5.1153 5.7294 5.7564 6.6742 6.7555 6.8171 6.8667 7.3261 7.3496 7.7883 7.8529 7.8833 7.9127 8.5375 8.6072 11.0796 11.0970 11.1821 11.1929 13.9869 14.0052 14.1116 14.1458 16.4915 16.5999 k = 0.1130 0.1957 0.2060 ( 3546 PWs) bands (ev): -9.0441 -9.0423 -9.0236 -9.0212 -8.3823 -8.3816 0.6713 0.6760 1.5126 1.5166 1.7197 1.8475 1.9661 1.9821 2.1128 2.1266 2.1635 2.1762 2.2353 2.2619 2.9483 3.0724 3.2303 3.2949 3.4576 3.5187 3.5295 3.6311 3.6985 3.7160 4.0314 4.0343 4.0676 4.1801 4.3037 4.3150 4.8678 4.9402 5.0799 5.1021 5.7226 5.7508 6.6963 6.7775 6.8190 6.8659 7.3215 7.3434 7.8074 7.8864 7.9031 7.9413 8.5458 8.6187 11.0392 11.0539 11.1280 11.1404 13.8872 13.9058 14.1385 14.1684 16.6237 16.7372 k = 0.1073 0.1859 0.2060 ( 3546 PWs) bands (ev): -9.0504 -9.0487 -9.0314 -9.0292 -8.3817 -8.3811 0.6650 0.6699 1.5068 1.5101 1.7172 1.8428 1.9647 1.9819 2.1107 2.1199 2.1605 2.1745 2.2293 2.2563 2.9510 3.0795 3.2346 3.2961 3.4563 3.5206 3.5256 3.6245 3.6974 3.7123 4.0286 4.0304 4.0665 4.1798 4.3000 4.3104 4.8633 4.9347 5.0705 5.0892 5.7156 5.7449 6.7178 6.7982 6.8229 6.8666 7.3150 7.3356 7.8244 7.9067 7.9384 7.9743 8.5519 8.6280 10.9988 11.0105 11.0764 11.0909 13.7876 13.8054 14.1656 14.1925 16.7567 16.8748 k = 0.1017 0.1761 0.2060 ( 3550 PWs) bands (ev): -9.0566 -9.0550 -9.0391 -9.0370 -8.3812 -8.3806 0.6586 0.6637 1.5009 1.5034 1.7151 1.8377 1.9633 1.9821 2.1082 2.1130 2.1576 2.1719 2.2241 2.2510 2.9547 3.0863 3.2391 3.2974 3.4550 3.5224 3.5227 3.6178 3.6965 3.7090 4.0264 4.0273 4.0655 4.1794 4.2965 4.3060 4.8601 4.9298 5.0611 5.0765 5.7084 5.7386 6.7390 6.8165 6.8303 6.8691 7.3069 7.3266 7.8397 7.9229 7.9795 8.0105 8.5560 8.6350 10.9585 10.9668 11.0275 11.0443 13.6892 13.7058 14.1921 14.2165 16.8897 17.0117 k = 0.0960 0.1664 0.2060 ( 3550 PWs) bands (ev): -9.0625 -9.0610 -9.0466 -9.0446 -8.3806 -8.3801 0.6521 0.6573 1.4948 1.4967 1.7134 1.8322 1.9617 1.9825 2.1053 2.1060 2.1546 2.1685 2.2200 2.2460 2.9592 3.0927 3.2439 3.2987 3.4536 3.5199 3.5251 3.6108 3.6960 3.7061 4.0248 4.0250 4.0646 4.1787 4.2933 4.3018 4.8580 4.9254 5.0517 5.0641 5.7009 5.7319 6.7599 6.8295 6.8440 6.8736 7.2976 7.3166 7.8541 7.9390 8.0217 8.0486 8.5578 8.6399 10.9182 10.9232 10.9820 11.0008 13.5925 13.6079 14.2176 14.2398 17.0223 17.1472 k = 0.0904 0.1566 0.2060 ( 3542 PWs) bands (ev): -9.0682 -9.0667 -9.0538 -9.0519 -8.3800 -8.3796 0.6456 0.6509 1.4886 1.4900 1.7120 1.8265 1.9602 1.9829 2.0991 2.1022 2.1516 2.1643 2.2169 2.2414 2.9644 3.0987 3.2488 3.2998 3.4522 3.5183 3.5276 3.6038 3.6957 3.7036 4.0230 4.0243 4.0638 4.1777 4.2902 4.2979 4.8571 4.9216 5.0423 5.0519 5.6932 5.7248 6.7804 6.8399 6.8615 6.8801 7.2872 7.3059 7.8678 7.9553 8.0641 8.0877 8.5577 8.6424 10.8783 10.8805 10.9398 10.9603 13.4978 13.5120 14.2422 14.2622 17.1536 17.2803 k = 0.0847 0.1468 0.2060 ( 3542 PWs) bands (ev): -9.0736 -9.0723 -9.0608 -9.0590 -8.3795 -8.3790 0.6392 0.6444 1.4823 1.4834 1.7110 1.8208 1.9585 1.9832 2.0924 2.0990 2.1483 2.1594 2.2146 2.2373 2.9704 3.1041 3.2538 3.3006 3.4509 3.5176 3.5304 3.5966 3.6956 3.7016 4.0217 4.0244 4.0631 4.1764 4.2873 4.2941 4.8571 4.9181 5.0330 5.0399 5.6855 5.7173 6.8006 6.8510 6.8795 6.8885 7.2762 7.2946 7.8814 7.9718 8.1058 8.1269 8.5554 8.6426 10.8391 10.8392 10.9010 10.9223 13.4055 13.4186 14.2655 14.2837 17.2831 17.4099 k = 0.0791 0.1370 0.2060 ( 3550 PWs) bands (ev): -9.0788 -9.0776 -9.0674 -9.0657 -8.3789 -8.3785 0.6328 0.6379 1.4761 1.4768 1.7105 1.8150 1.9569 1.9830 2.0862 2.0958 2.1449 2.1540 2.2130 2.2337 2.9769 3.1089 3.2588 3.3011 3.4496 3.5177 3.5334 3.5895 3.6958 3.7000 4.0210 4.0251 4.0625 4.1748 4.2845 4.2904 4.8580 4.9151 5.0237 5.0280 5.6778 5.7096 6.8204 6.8634 6.8972 6.8988 7.2645 7.2830 7.8948 7.9885 8.1464 8.1655 8.5512 8.6405 10.7998 10.8014 10.8654 10.8868 13.3159 13.3279 14.2877 14.3040 17.4098 17.5349 k = 0.0734 0.1272 0.2060 ( 3546 PWs) bands (ev): -9.0837 -9.0826 -9.0737 -9.0721 -8.3783 -8.3780 0.6266 0.6316 1.4700 1.4705 1.7103 1.8093 1.9552 1.9823 2.0806 2.0927 2.1412 2.1485 2.2120 2.2305 2.9840 3.1130 3.2638 3.3013 3.4485 3.5185 3.5365 3.5824 3.6961 3.6988 4.0207 4.0265 4.0621 4.1728 4.2819 4.2869 4.8597 4.9123 5.0146 5.0164 5.6703 5.7016 6.8398 6.8772 6.9107 6.9145 7.2524 7.2711 7.9085 8.0053 8.1854 8.2030 8.5453 8.6361 10.7630 10.7656 10.8328 10.8538 13.2295 13.2404 14.3086 14.3232 17.5329 17.6543 k = 0.0678 0.1174 0.2060 ( 3546 PWs) bands (ev): -9.0883 -9.0872 -9.0797 -9.0782 -8.3778 -8.3775 0.6206 0.6253 1.4641 1.4644 1.7106 1.8036 1.9536 1.9809 2.0760 2.0897 2.1373 2.1428 2.2112 2.2278 2.9915 3.1164 3.2686 3.3011 3.4477 3.5199 3.5397 3.5757 3.6965 3.6980 4.0208 4.0285 4.0618 4.1704 4.2793 4.2836 4.8620 4.9098 5.0051 5.0056 5.6630 5.6936 6.8589 6.8919 6.9239 6.9313 7.2400 7.2589 7.9224 8.0221 8.2222 8.2390 8.5377 8.6295 10.7290 10.7322 10.8030 10.8230 13.1466 13.1564 14.3281 14.3411 17.6517 17.7669 k = 0.0621 0.1076 0.2060 ( 3550 PWs) bands (ev): -9.0926 -9.0916 -9.0852 -9.0839 -8.3773 -8.3770 0.6148 0.6193 1.4583 1.4585 1.7113 1.7980 1.9520 1.9789 2.0723 2.0870 2.1333 2.1371 2.2108 2.2254 2.9994 3.1190 3.2732 3.3005 3.4472 3.5214 3.5430 3.5694 3.6971 3.6976 4.0212 4.0310 4.0618 4.1675 4.2768 4.2803 4.8649 4.9074 4.9941 4.9970 5.6561 5.6855 6.8775 6.9075 6.9382 6.9476 7.2275 7.2467 7.9367 8.0388 8.2566 8.2730 8.5289 8.6208 10.6981 10.7015 10.7759 10.7947 13.0676 13.0764 14.3462 14.3578 17.7652 17.8719 k = 0.0565 0.0979 0.2060 ( 3554 PWs) bands (ev): -9.0965 -9.0957 -9.0904 -9.0891 -8.3768 -8.3765 0.6093 0.6135 1.4529 1.4529 1.7124 1.7926 1.9504 1.9762 2.0698 2.0846 2.1291 2.1315 2.2105 2.2233 3.0075 3.1207 3.2775 3.2997 3.4472 3.5224 3.5464 3.5642 3.6975 3.6977 4.0221 4.0338 4.0622 4.1643 4.2745 4.2773 4.8682 4.9052 4.9836 4.9887 5.6497 5.6777 6.8956 6.9236 6.9532 6.9635 7.2148 7.2345 7.9514 8.0552 8.2880 8.3046 8.5191 8.6100 10.6704 10.6738 10.7517 10.7688 12.9930 13.0008 14.3629 14.3732 17.8726 17.9686 k = 0.0508 0.0881 0.2060 ( 3554 PWs) bands (ev): -9.1002 -9.0994 -9.0951 -9.0940 -8.3763 -8.3761 0.6042 0.6081 1.4477 1.4478 1.7139 1.7872 1.9490 1.9729 2.0684 2.0826 2.1249 2.1261 2.2103 2.2215 3.0159 3.1216 3.2814 3.2988 3.4475 3.5223 3.5497 3.5604 3.6976 3.6983 4.0232 4.0366 4.0632 4.1606 4.2722 4.2744 4.8717 4.9031 4.9736 4.9808 5.6439 5.6701 6.9133 6.9398 6.9683 6.9787 7.2021 7.2224 7.9666 8.0710 8.3160 8.3337 8.5090 8.5974 10.6460 10.6492 10.7302 10.7455 12.9233 12.9301 14.3782 14.3871 17.9731 18.0566 k = 0.0452 0.0783 0.2060 ( 3558 PWs) bands (ev): -9.1034 -9.1028 -9.0994 -9.0983 -8.3759 -8.3757 0.5995 0.6030 1.4430 1.4430 1.7158 1.7819 1.9476 1.9692 2.0680 2.0811 2.1206 2.1208 2.2103 2.2199 3.0244 3.1216 3.2848 3.2979 3.4484 3.5205 3.5529 3.5586 3.6980 3.6990 4.0245 4.0393 4.0649 4.1564 4.2701 4.2717 4.8755 4.9011 4.9642 4.9734 5.6387 5.6628 6.9306 6.9559 6.9832 6.9933 7.1895 7.2103 7.9823 8.0860 8.3404 8.3600 8.4990 8.5832 10.6248 10.6276 10.7115 10.7248 12.8589 12.8648 14.3919 14.3997 18.0659 18.1356 k = 0.0395 0.0685 0.2060 ( 3558 PWs) bands (ev): -9.1063 -9.1058 -9.1032 -9.1022 -8.3755 -8.3753 0.5952 0.5984 1.4387 1.4387 1.7181 1.7767 1.9463 1.9654 2.0685 2.0801 2.1157 2.1163 2.2103 2.2185 3.0330 3.1206 3.2877 3.2970 3.4499 3.5169 3.5560 3.5587 3.6985 3.6996 4.0261 4.0413 4.0676 4.1518 4.2681 4.2692 4.8793 4.8992 4.9557 4.9665 5.6343 5.6560 6.9474 6.9716 6.9973 7.0070 7.1770 7.1983 7.9986 8.0996 8.3609 8.3833 8.4902 8.5675 10.6067 10.6089 10.6955 10.7068 12.8003 12.8054 14.4042 14.4108 18.1503 18.2059 k = 0.0339 0.0587 0.2060 ( 3558 PWs) bands (ev): -9.1088 -9.1084 -9.1065 -9.1057 -8.3751 -8.3750 0.5914 0.5942 1.4349 1.4349 1.7207 1.7715 1.9453 1.9615 2.0698 2.0796 2.1108 2.1120 2.2104 2.2172 3.0417 3.1188 3.2901 3.2962 3.4519 3.5119 3.5589 3.5599 3.6991 3.7003 4.0278 4.0426 4.0715 4.1467 4.2663 4.2670 4.8830 4.8975 4.9481 4.9602 5.6306 5.6498 6.9638 6.9866 7.0102 7.0197 7.1649 7.1866 8.0153 8.1114 8.3773 8.4036 8.4832 8.5508 10.5915 10.5931 10.6822 10.6915 12.7482 12.7524 14.4149 14.4204 18.2259 18.2676 k = 0.0282 0.0489 0.2060 ( 3558 PWs) bands (ev): -9.1110 -9.1107 -9.1093 -9.1086 -8.3748 -8.3747 0.5882 0.5905 1.4316 1.4316 1.7237 1.7665 1.9444 1.9579 2.0717 2.0796 2.1062 2.1077 2.2105 2.2161 3.0502 3.1160 3.2919 3.2956 3.4546 3.5062 3.5615 3.5618 3.6998 3.7008 4.0297 4.0432 4.0764 4.1412 4.2647 4.2651 4.8864 4.8960 4.9418 4.9544 5.6278 5.6441 6.9797 7.0006 7.0215 7.0310 7.1532 7.1750 8.0323 8.1206 8.3897 8.4208 8.4788 8.5335 10.5790 10.5801 10.6715 10.6788 12.7030 12.7064 14.4240 14.4286 18.2920 18.3208 k = 0.0226 0.0391 0.2060 ( 3554 PWs) bands (ev): -9.1128 -9.1126 -9.1116 -9.1110 -8.3746 -8.3745 0.5856 0.5875 1.4289 1.4289 1.7270 1.7615 1.9439 1.9545 2.0741 2.0802 2.1018 2.1035 2.2108 2.2152 3.0587 3.1123 3.2933 3.2952 3.4579 3.5001 3.5637 3.5638 3.7004 3.7013 4.0316 4.0431 4.0822 4.1353 4.2633 4.2635 4.8892 4.8949 4.9368 4.9491 5.6258 5.6390 6.9949 7.0133 7.0309 7.0406 7.1426 7.1639 8.0494 8.1265 8.3992 8.4347 8.4769 8.5160 10.5690 10.5696 10.6633 10.6688 12.6652 12.6679 14.4316 14.4352 18.3482 18.3658 k = 0.0169 0.0294 0.2060 ( 3554 PWs) bands (ev): -9.1142 -9.1141 -9.1134 -9.1128 -8.3744 -8.3743 0.5836 0.5850 1.4268 1.4268 1.7305 1.7566 1.9437 1.9515 2.0769 2.0813 2.0978 2.0993 2.2110 2.2143 3.0669 3.1077 3.2942 3.2950 3.4617 3.4939 3.5655 3.5655 3.7010 3.7016 4.0335 4.0426 4.0885 4.1291 4.2621 4.2622 4.8914 4.8940 4.9335 4.9444 5.6246 5.6347 7.0094 7.0244 7.0381 7.0476 7.1336 7.1532 8.0662 8.1284 8.4075 8.4449 8.4769 8.4995 10.5614 10.5617 10.6572 10.6611 12.6353 12.6373 14.4376 14.4403 18.3936 18.4026 k = 0.0113 0.0196 0.2060 ( 3560 PWs) bands (ev): -9.1152 -9.1152 -9.1146 -9.1142 -8.3742 -8.3742 0.5822 0.5831 1.4252 1.4252 1.7343 1.7518 1.9438 1.9490 2.0800 2.0829 2.0941 2.0952 2.2114 2.2135 3.0749 3.1024 3.2947 3.2950 3.4661 3.4878 3.5668 3.5668 3.7014 3.7019 4.0354 4.0416 4.0951 4.1226 4.2613 4.2613 4.8927 4.8935 4.9320 4.9402 5.6242 5.6310 7.0229 7.0333 7.0427 7.0512 7.1277 7.1434 8.0823 8.1262 8.4161 8.4499 8.4774 8.4858 10.5560 10.5561 10.6532 10.6557 12.6138 12.6151 14.4420 14.4438 18.4274 18.4306 k = 0.0056 0.0098 0.2060 ( 3548 PWs) bands (ev): -9.1159 -9.1159 -9.1152 -9.1150 -8.3741 -8.3741 0.5814 0.5819 1.4243 1.4243 1.7384 1.7472 1.9444 1.9470 2.0834 2.0849 2.0908 2.0913 2.2118 2.2129 3.0825 3.0964 3.2950 3.2950 3.4709 3.4819 3.5677 3.5677 3.7017 3.7020 4.0372 4.0404 4.1020 4.1158 4.2608 4.2608 4.8933 4.8934 4.9322 4.9366 5.6247 5.6281 7.0348 7.0399 7.0446 7.0501 7.1259 7.1349 8.0971 8.1198 8.4261 8.4468 8.4776 8.4787 10.5527 10.5527 10.6511 10.6523 12.6008 12.6015 14.4449 14.4457 18.4483 18.4487 k = 0.0000 0.0000 0.2060 ( 3540 PWs) bands (ev): -9.1161 -9.1161 -9.1153 -9.1153 -8.3741 -8.3741 0.5813 0.5813 1.4240 1.4240 1.7427 1.7427 1.9455 1.9455 2.0862 2.0862 2.0887 2.0887 2.2123 2.2123 3.0897 3.0897 3.2950 3.2950 3.4762 3.4762 3.5680 3.5680 3.7019 3.7019 4.0389 4.0389 4.1089 4.1089 4.2606 4.2606 4.8934 4.8934 4.9339 4.9339 5.6260 5.6260 7.0434 7.0434 7.0445 7.0445 7.1287 7.1287 8.1098 8.1098 8.4371 8.4371 8.4775 8.4775 10.5517 10.5517 10.6508 10.6508 12.5967 12.5967 14.4461 14.4461 18.4552 18.4552 k = 0.5000 0.2887 0.2060 ( 3532 PWs) bands (ev): -8.9029 -8.9029 -8.8381 -8.8381 -8.3783 -8.3783 0.7277 0.7277 1.4464 1.4464 1.8281 1.8281 1.9909 1.9909 2.1086 2.1086 2.2925 2.2925 2.3118 2.3118 3.0866 3.0866 3.3728 3.3728 3.5462 3.5462 3.7400 3.7400 3.8270 3.8270 4.1755 4.1755 4.2747 4.2747 4.3345 4.3345 5.1556 5.1556 5.6108 5.6108 5.7894 5.7894 6.2443 6.2443 6.7627 6.7627 7.0542 7.0542 7.4546 7.4546 8.0189 8.0189 8.3113 8.3113 11.7870 11.7870 12.4886 12.4886 12.9103 12.9103 13.8117 13.8117 14.6130 14.6130 k = 0.5000 0.2887 0.1952 ( 3528 PWs) bands (ev): -8.9060 -8.9052 -8.8354 -8.8345 -8.3788 -8.3787 0.7263 0.7314 1.4335 1.4594 1.8153 1.8392 1.9821 1.9969 2.1040 2.1138 2.2594 2.2837 2.3260 2.3425 3.0429 3.1241 3.3365 3.4118 3.5361 3.5561 3.7372 3.7432 3.8210 3.8377 4.1748 4.1774 4.2718 4.2765 4.3320 4.3402 5.1517 5.1583 5.6063 5.6132 5.7824 5.7972 6.2225 6.2541 6.7541 6.7712 7.0359 7.0758 7.4457 7.4718 8.0093 8.0239 8.3039 8.3203 11.7880 11.7911 12.4800 12.4888 12.9058 12.9209 13.8053 13.8144 14.6082 14.6150 k = 0.5000 0.2887 0.1843 ( 3530 PWs) bands (ev): -8.9132 -8.9119 -8.8273 -8.8258 -8.3804 -8.3802 0.7273 0.7374 1.4203 1.4725 1.8004 1.8490 1.9705 2.0008 2.1003 2.1189 2.2265 2.2600 2.3582 2.3760 2.9961 3.1488 3.3096 3.4502 3.5266 3.5653 3.7353 3.7462 3.8220 3.8515 4.1754 4.1800 4.2690 4.2763 4.3335 4.3482 5.1465 5.1598 5.6000 5.6134 5.7763 5.8055 6.1906 6.2509 6.7454 6.7781 7.0219 7.1005 7.4457 7.4964 7.9958 8.0240 8.2985 8.3303 11.7940 11.8001 12.4641 12.4806 12.9076 12.9364 13.7952 13.8134 14.6007 14.6142 k = 0.5000 0.2887 0.1735 ( 3538 PWs) bands (ev): -8.9224 -8.9209 -8.8159 -8.8140 -8.3831 -8.3828 0.7306 0.7458 1.4068 1.4858 1.7828 1.8575 1.9564 2.0033 2.0974 2.1232 2.1948 2.2405 2.3892 2.4111 2.9477 3.1501 3.3026 3.4854 3.5188 3.5734 3.7343 3.7485 3.8313 3.8674 4.1774 4.1829 4.2672 4.2740 4.3391 4.3579 5.1400 5.1599 5.5922 5.6113 5.7709 5.8140 6.1510 6.2359 6.7353 6.7810 7.0146 7.1281 7.4541 7.5269 7.9793 8.0193 8.2951 8.3405 11.8050 11.8139 12.4424 12.4650 12.9146 12.9550 13.7818 13.8086 14.5908 14.6108 k = 0.5000 0.2887 0.1627 ( 3544 PWs) bands (ev): -8.9323 -8.9307 -8.8026 -8.8006 -8.3867 -8.3863 0.7361 0.7565 1.3928 1.4993 1.7620 1.8648 1.9409 2.0052 2.0945 2.1257 2.1661 2.2255 2.4188 2.4470 2.8986 3.1276 3.3160 3.5039 3.5246 3.5807 3.7348 3.7510 3.8480 3.8848 4.1810 4.1860 4.2666 4.2713 4.3481 4.3688 5.1322 5.1586 5.5832 5.6069 5.7662 5.8225 6.1062 6.2112 6.7225 6.7773 7.0161 7.1585 7.4698 7.5620 7.9608 8.0107 8.2933 8.3501 11.8209 11.8321 12.4166 12.4439 12.9252 12.9746 13.7655 13.8005 14.5787 14.6048 k = 0.5000 0.2887 0.1518 ( 3536 PWs) bands (ev): -8.9423 -8.9407 -8.7881 -8.7860 -8.3914 -8.3908 0.7438 0.7695 1.3781 1.5132 1.7373 1.8703 1.9254 2.0069 2.0890 2.1234 2.1458 2.2151 2.4463 2.4830 2.8495 3.0931 3.3377 3.4998 3.5482 3.5879 3.7381 3.7545 3.8698 3.9042 4.1846 4.1903 4.2635 4.2731 4.3596 4.3809 5.1227 5.1557 5.5732 5.6005 5.7615 5.8306 6.0583 6.1798 6.7062 6.7657 7.0271 7.1907 7.4914 7.6004 7.9415 7.9993 8.2921 8.3586 11.8415 11.8543 12.3883 12.4194 12.9375 12.9936 13.7472 13.7895 14.5650 14.5967 k = 0.5000 0.2887 0.1410 ( 3536 PWs) bands (ev): -8.9521 -8.9506 -8.7729 -8.7707 -8.3970 -8.3963 0.7537 0.7848 1.3625 1.5273 1.7089 1.8735 1.9115 2.0086 2.0766 2.1157 2.1392 2.2091 2.4712 2.5184 2.8010 3.0547 3.3599 3.4946 3.5653 3.5971 3.7448 3.7597 3.8935 3.9262 4.1861 4.1981 4.2588 4.2802 4.3733 4.3940 5.1116 5.1510 5.5624 5.5924 5.7562 5.8375 6.0096 6.1447 6.6868 6.7471 7.0460 7.2234 7.5175 7.6407 7.9225 7.9864 8.2909 8.3653 11.8663 11.8798 12.3588 12.3935 12.9493 13.0100 13.7276 13.7761 14.5500 14.5866 k = 0.5000 0.2887 0.1301 ( 3536 PWs) bands (ev): -8.9615 -8.9600 -8.7572 -8.7550 -8.4036 -8.4028 0.7657 0.8023 1.3459 1.5415 1.6770 1.8729 1.9012 2.0085 2.0591 2.1109 2.1385 2.2072 2.4927 2.5524 2.7538 3.0161 3.3792 3.4903 3.5741 3.6083 3.7533 3.7688 3.9162 3.9517 4.1858 4.2089 4.2543 4.2915 4.3885 4.4080 5.0985 5.1441 5.5512 5.5828 5.7496 5.8417 5.9629 6.1087 6.6652 6.7236 7.0701 7.2551 7.5465 7.6818 7.9051 7.9736 8.2889 8.3700 11.8948 11.9078 12.3295 12.3683 12.9590 13.0223 13.7077 13.7612 14.5341 14.5749 k = 0.5000 0.2887 0.1193 ( 3530 PWs) bands (ev): -8.9703 -8.9689 -8.7411 -8.7388 -8.4110 -8.4102 0.7798 0.8219 1.3280 1.5552 1.6430 1.8674 1.8955 2.0016 2.0470 2.1087 2.1394 2.2085 2.5100 2.5835 2.7093 2.9794 3.3946 3.4871 3.5784 3.6187 3.7606 3.7833 3.9373 3.9793 4.1845 4.2210 4.2522 4.3071 4.4048 4.4233 5.0832 5.1347 5.5399 5.5720 5.7406 5.8387 5.9240 6.0741 6.6423 6.6971 7.0968 7.2842 7.5772 7.7219 7.8908 7.9622 8.2854 8.3724 11.9262 11.9370 12.3017 12.3459 12.9650 13.0290 13.6887 13.7455 14.5180 14.5620 k = 0.5000 0.2887 0.1084 ( 3528 PWs) bands (ev): -8.9785 -8.9772 -8.7247 -8.7225 -8.4193 -8.4184 0.7958 0.8437 1.3088 1.5644 1.6114 1.8592 1.8924 1.9848 2.0462 2.1074 2.1416 2.2124 2.5222 2.6055 2.6738 2.9459 3.4061 3.4846 3.5811 3.6271 3.7669 3.8008 3.9575 4.0065 4.1826 4.2281 4.2593 4.3270 4.4216 4.4399 5.0655 5.1224 5.5287 5.5603 5.7287 5.8197 5.9028 6.0428 6.6189 6.6692 7.1242 7.3094 7.6084 7.7584 7.8821 7.9542 8.2801 8.3721 11.9589 11.9656 12.2771 12.3286 12.9659 13.0289 13.6717 13.7300 14.5019 14.5482 k = 0.5000 0.2887 0.0976 ( 3516 PWs) bands (ev): -8.9860 -8.9848 -8.7082 -8.7060 -8.4285 -8.4274 0.8137 0.8675 1.2882 1.5491 1.6028 1.8507 1.8895 1.9634 2.0518 2.1067 2.1453 2.2185 2.5280 2.5954 2.6703 2.9168 3.4143 3.4824 3.5836 3.6338 3.7731 3.8178 3.9776 4.0312 4.1806 4.2267 4.2789 4.3510 4.4383 4.4585 5.0449 5.1067 5.5180 5.5479 5.7134 5.7863 5.8986 6.0162 6.5960 6.6412 7.1507 7.3296 7.6388 7.7868 7.8826 7.9519 8.2727 8.3690 11.9893 11.9925 12.2585 12.3194 12.9604 13.0211 13.6578 13.7156 14.4865 14.5338 k = 0.5000 0.2887 0.0867 ( 3516 PWs) bands (ev): -8.9928 -8.9918 -8.6917 -8.6895 -8.4383 -8.4372 0.8333 0.8932 1.2663 1.5125 1.6147 1.8430 1.8857 1.9411 2.0599 2.1066 2.1506 2.2267 2.5258 2.5620 2.6911 2.8928 3.4201 3.4800 3.5864 3.6391 3.7798 3.8325 3.9977 4.0525 4.1787 4.2224 4.3052 4.3789 4.4547 4.4792 5.0214 5.0871 5.5080 5.5351 5.6951 5.7496 5.9012 5.9949 6.5740 6.6140 7.1757 7.3442 7.6674 7.8027 7.8943 7.9586 8.2628 8.3631 12.0093 12.0190 12.2497 12.3213 12.9475 13.0053 13.6475 13.7028 14.4720 14.5191 k = 0.5000 0.2887 0.0759 ( 3520 PWs) bands (ev): -8.9989 -8.9980 -8.6752 -8.6731 -8.4489 -8.4476 0.8545 0.9206 1.2430 1.4714 1.6308 1.8365 1.8808 1.9192 2.0689 2.1072 2.1577 2.2369 2.5085 2.5332 2.7149 2.8743 3.4245 3.4771 3.5896 3.6428 3.7871 3.8440 4.0173 4.0699 4.1771 4.2172 4.3350 4.4095 4.4716 4.5022 4.9946 5.0634 5.4989 5.5221 5.6748 5.7150 5.9059 5.9788 6.5536 6.5883 7.1987 7.3529 7.6932 7.8083 7.9123 7.9773 8.2505 8.3543 12.0208 12.0369 12.2556 12.3360 12.9266 12.9817 13.6410 13.6922 14.4589 14.5044 k = 0.5000 0.2887 0.0651 ( 3526 PWs) bands (ev): -9.0042 -9.0034 -8.6590 -8.6569 -8.4599 -8.4586 0.8771 0.9495 1.2189 1.4290 1.6482 1.8312 1.8747 1.8983 2.0777 2.1082 2.1670 2.2493 2.4749 2.5148 2.7375 2.8609 3.4281 3.4738 3.5935 3.6449 3.7951 3.8521 4.0358 4.0836 4.1760 4.2118 4.3661 4.4397 4.4911 4.5277 4.9647 5.0352 5.4909 5.5095 5.6541 5.6845 5.9111 5.9669 6.5353 6.5646 7.2194 7.3562 7.7155 7.8092 7.9322 8.0062 8.2357 8.3426 12.0246 12.0431 12.2786 12.3632 12.8976 12.9512 13.6379 13.6839 14.4476 14.4902 k = 0.5000 0.2887 0.0542 ( 3520 PWs) bands (ev): -9.0087 -9.0080 -8.6431 -8.6411 -8.4714 -8.4700 0.9011 0.9796 1.1942 1.3863 1.6664 1.8267 1.8666 1.8799 2.0858 2.1093 2.1789 2.2639 2.4386 2.4954 2.7579 2.8516 3.4314 3.4701 3.5980 3.6453 3.8038 3.8570 4.0526 4.0940 4.1755 4.2066 4.3965 4.4638 4.5175 4.5566 4.9318 5.0026 5.4839 5.4977 5.6346 5.6585 5.9163 5.9584 6.5193 6.5435 7.2381 7.3547 7.7344 7.8083 7.9547 8.0403 8.2184 8.3280 12.0231 12.0402 12.3158 12.4006 12.8610 12.9146 13.6379 13.6775 14.4383 14.4765 k = 0.5000 0.2887 0.0434 ( 3516 PWs) bands (ev): -9.0124 -9.0118 -8.6278 -8.6259 -8.4829 -8.4816 0.9262 1.0097 1.1702 1.3437 1.6850 1.8220 1.8546 1.8675 2.0927 2.1103 2.1936 2.2808 2.4033 2.4728 2.7759 2.8451 3.4347 3.4661 3.6030 3.6440 3.8127 3.8591 4.0675 4.1013 4.1757 4.2015 4.4244 4.4792 4.5515 4.5899 4.8965 4.9658 5.4778 5.4875 5.6178 5.6370 5.9213 5.9522 6.5062 6.5253 7.2548 7.3496 7.7502 7.8064 7.9802 8.0758 8.1990 8.3104 12.0188 12.0329 12.3625 12.4451 12.8179 12.8730 13.6400 13.6726 14.4314 14.4639 k = 0.5000 0.2887 0.0325 ( 3510 PWs) bands (ev): -9.0152 -9.0148 -8.6136 -8.6119 -8.4942 -8.4929 0.9521 1.0374 1.1495 1.3018 1.7041 1.8137 1.8436 1.8594 2.0984 2.1109 2.2111 2.2997 2.3698 2.4481 2.7914 2.8400 3.4381 3.4619 3.6086 3.6412 3.8218 3.8587 4.0801 4.1058 4.1768 4.1966 4.4482 4.4883 4.5892 4.6275 4.8597 4.9257 5.4728 5.4794 5.6049 5.6198 5.9258 5.9475 6.4962 6.5103 7.2699 7.3417 7.7633 7.8038 8.0081 8.1101 8.1782 8.2901 12.0140 12.0245 12.4148 12.4937 12.7702 12.8274 13.6436 13.6686 14.4270 14.4525 k = 0.5000 0.2887 0.0217 ( 3510 PWs) bands (ev): -9.0173 -9.0170 -8.6011 -8.5997 -8.5044 -8.5033 0.9784 1.0543 1.1405 1.2608 1.7234 1.7993 1.8393 1.8528 2.1029 2.1109 2.2313 2.3189 2.3401 2.4222 2.8043 2.8353 3.4417 3.4577 3.6145 3.6372 3.8305 3.8561 4.0903 4.1076 4.1786 4.1921 4.4669 4.4928 4.6279 4.6666 4.8241 4.8833 5.4690 5.4733 5.5964 5.6068 5.9299 5.9437 6.4894 6.4988 7.2839 7.3320 7.7742 7.8003 8.0371 8.1349 8.1637 8.2670 12.0101 12.0170 12.4698 12.5428 12.7207 12.7788 13.6479 13.6648 14.4251 14.4428 k = 0.5000 0.2887 0.0108 ( 3504 PWs) bands (ev): -9.0185 -9.0183 -8.5919 -8.5910 -8.5119 -8.5112 1.0046 1.0492 1.1548 1.2215 1.7429 1.7814 1.8397 1.8472 2.1063 2.1102 2.2540 2.3059 2.3465 2.3961 2.8149 2.8299 3.4455 3.4535 3.6205 3.6321 3.8387 3.8518 4.0982 4.1069 4.1811 4.1880 4.4804 4.4931 4.6654 4.6974 4.7983 4.8409 5.4671 5.4693 5.5924 5.5978 5.9337 5.9404 6.4863 6.4909 7.2970 7.3211 7.7831 7.7959 8.0663 8.1209 8.1843 8.2413 12.0081 12.0115 12.5248 12.5820 12.6798 12.7295 13.6525 13.6610 14.4259 14.4349 k = 0.5000 0.2887-0.0000 ( 3508 PWs) bands (ev): -9.0188 -9.0188 -8.5880 -8.5880 -8.5146 -8.5146 1.0293 1.0293 1.1850 1.1850 1.7623 1.7623 1.8427 1.8427 2.1087 2.1087 2.2791 2.2791 2.3705 2.3705 2.8233 2.8233 3.4494 3.4494 3.6265 3.6265 3.8458 3.8458 4.1037 4.1037 4.1843 4.1843 4.4891 4.4891 4.6956 4.6956 4.8055 4.8055 5.4671 5.4671 5.5930 5.5930 5.9371 5.9371 6.4867 6.4867 7.3094 7.3094 7.7903 7.7903 8.0947 8.0947 8.2135 8.2135 12.0085 12.0085 12.5728 12.5728 12.6859 12.6859 13.6569 13.6569 14.4292 14.4292 k = 0.3333 0.5774-0.0000 ( 3516 PWs) bands (ev): -8.9747 -8.9747 -8.5506 -8.5428 -8.5428 -8.5382 1.0357 1.0357 1.1194 1.2658 1.9114 1.9114 2.0653 2.0653 2.0714 2.1447 2.3565 2.3565 2.3964 2.4285 2.6546 2.6546 3.3350 3.3350 3.5703 3.5703 3.8299 3.8299 3.9352 4.0061 4.1686 4.2048 4.2048 4.2591 4.4077 4.4077 5.5926 5.5926 5.6806 5.6806 5.7225 5.7563 5.9867 5.9867 6.5316 6.6173 6.6173 6.6233 7.4965 7.4965 7.9263 8.0439 8.0439 8.1186 12.9486 12.9486 13.3061 13.3548 13.3719 13.3719 14.3387 14.3387 14.4353 14.4353 k = 0.3333 0.5774 0.0108 ( 3510 PWs) bands (ev): -8.9743 -8.9742 -8.5606 -8.5577 -8.5286 -8.5283 1.0085 1.0638 1.1115 1.2747 1.9080 1.9147 2.0538 2.0706 2.0762 2.1452 2.3402 2.3711 2.3929 2.4339 2.6439 2.6665 3.3332 3.3376 3.5529 3.5864 3.8225 3.8365 3.9333 4.0039 4.1706 4.1975 4.2071 4.2596 4.4008 4.4166 5.5852 5.6018 5.6736 5.6919 5.7204 5.7588 5.9813 5.9932 6.5299 6.6024 6.6261 6.6331 7.4942 7.4955 7.9145 8.0004 8.0857 8.1284 12.9454 12.9533 13.3046 13.3566 13.3606 13.3828 14.3273 14.3475 14.4134 14.4605 k = 0.3333 0.5774 0.0217 ( 3513 PWs) bands (ev): -8.9732 -8.9729 -8.5753 -8.5729 -8.5151 -8.5143 0.9823 1.0918 1.0926 1.2971 1.9045 1.9180 2.0419 2.0682 2.0864 2.1467 2.3227 2.3836 2.3860 2.4466 2.6338 2.6802 3.3322 3.3408 3.5354 3.6001 3.8156 3.8413 3.9276 3.9978 4.1760 4.1863 4.2042 4.2612 4.3966 4.4261 5.5804 5.6108 5.6723 5.7071 5.7153 5.7649 5.9774 6.0003 6.5256 6.5888 6.6339 6.6495 7.4886 7.4911 7.8844 7.9555 8.1257 8.1525 12.9437 12.9594 13.3008 13.3490 13.3612 13.3933 14.3134 14.3538 14.3949 14.4886 k = 0.3333 0.5774 0.0325 ( 3507 PWs) bands (ev): -8.9712 -8.9708 -8.5907 -8.5884 -8.5017 -8.5007 0.9573 1.0666 1.1222 1.3269 1.9007 1.9213 2.0296 2.0646 2.0957 2.1489 2.3046 2.3789 2.3937 2.4633 2.6236 2.6962 3.3321 3.3443 3.5188 3.6099 3.8102 3.8432 3.9183 3.9884 4.1724 4.1839 4.1971 4.2639 4.3954 4.4351 5.5785 5.6172 5.6785 5.7092 5.7260 5.7726 5.9759 6.0077 6.5200 6.5767 6.6453 6.6664 7.4797 7.4836 7.8439 7.9092 8.1638 8.1831 12.9435 12.9669 13.2954 13.3369 13.3678 13.4033 14.2977 14.3582 14.3792 14.5131 k = 0.3333 0.5774 0.0434 ( 3516 PWs) bands (ev): -8.9684 -8.9679 -8.6064 -8.6042 -8.4887 -8.4877 0.9335 1.0393 1.1524 1.3604 1.8963 1.9247 2.0175 2.0603 2.1040 2.1512 2.2862 2.3725 2.4011 2.4830 2.6129 2.7147 3.3328 3.3478 3.5038 3.6144 3.8069 3.8411 3.9058 3.9768 4.1573 4.1876 4.1934 4.2674 4.3964 4.4425 5.5791 5.6200 5.6918 5.7029 5.7486 5.7809 5.9774 6.0149 6.5144 6.5665 6.6589 6.6835 7.4676 7.4729 7.7975 7.8618 8.2000 8.2156 12.9448 12.9756 13.2892 13.3245 13.3756 13.4130 14.2810 14.3608 14.3655 14.4985 k = 0.3333 0.5774 0.0542 ( 3510 PWs) bands (ev): -8.9648 -8.9642 -8.6223 -8.6202 -8.4763 -8.4753 0.9110 1.0117 1.1831 1.3960 1.8911 1.9279 2.0057 2.0558 2.1111 2.1535 2.2679 2.3671 2.4060 2.5054 2.6013 2.7360 3.3344 3.3508 3.4911 3.6130 3.8055 3.8341 3.8905 3.9636 4.1426 4.1780 4.2033 4.2719 4.3989 4.4480 5.5818 5.6208 5.6970 5.7092 5.7749 5.7890 5.9829 6.0218 6.5097 6.5584 6.6740 6.7006 7.4525 7.4594 7.7476 7.8135 8.2341 8.2479 12.9477 12.9854 13.2827 13.3117 13.3841 13.4222 14.2644 14.3532 14.3621 14.4828 k = 0.3333 0.5774 0.0651 ( 3513 PWs) bands (ev): -8.9605 -8.9597 -8.6384 -8.6363 -8.4645 -8.4636 0.8899 0.9846 1.2141 1.4329 1.8847 1.9310 1.9946 2.0513 2.1170 2.1554 2.2502 2.3625 2.4085 2.5305 2.5885 2.7600 3.3369 3.3527 3.4815 3.6058 3.8048 3.8219 3.8729 3.9490 4.1300 4.1701 4.2130 4.2774 4.4020 4.4511 5.5862 5.6210 5.6915 5.7277 5.7966 5.8047 5.9937 6.0280 6.5065 6.5527 6.6899 6.7176 7.4345 7.4432 7.6953 7.7644 8.2661 8.2791 12.9521 12.9962 13.2759 13.2985 13.3931 13.4310 14.2484 14.3416 14.3621 14.4669 k = 0.3333 0.5774 0.0759 ( 3516 PWs) bands (ev): -8.9553 -8.9544 -8.6546 -8.6525 -8.4534 -8.4525 0.8703 0.9584 1.2454 1.4703 1.8765 1.9339 1.9849 2.0472 2.1212 2.1569 2.2336 2.3588 2.4090 2.5580 2.5744 2.7866 3.3401 3.3524 3.4756 3.5938 3.8027 3.8049 3.8536 3.9334 4.1211 4.1650 4.2219 4.2837 4.4050 4.4520 5.5918 5.6213 5.6866 5.7448 5.8034 5.8377 6.0107 6.0332 6.5051 6.5496 6.7062 6.7342 7.4139 7.4247 7.6415 7.7150 8.2960 8.3084 12.9578 13.0079 13.2689 13.2849 13.4024 13.4393 14.2336 14.3304 14.3612 14.4513 k = 0.3333 0.5774 0.0867 ( 3516 PWs) bands (ev): -8.9494 -8.9484 -8.6709 -8.6687 -8.4429 -8.4421 0.8522 0.9334 1.2768 1.5081 1.8664 1.9364 1.9767 2.0436 2.1236 2.1578 2.2185 2.3560 2.4077 2.5590 2.5881 2.8154 3.3439 3.3493 3.4737 3.5778 3.7841 3.7976 3.8330 3.9168 4.1171 4.1631 4.2295 4.2909 4.4076 4.4506 5.5981 5.6221 5.6822 5.7591 5.8092 5.8733 6.0344 6.0374 6.5056 6.5493 6.7228 6.7503 7.3910 7.4041 7.5866 7.6655 8.3236 8.3357 12.9649 13.0203 13.2618 13.2711 13.4117 13.4471 14.2200 14.3196 14.3596 14.4362 k = 0.3333 0.5774 0.0976 ( 3510 PWs) bands (ev): -8.9427 -8.9416 -8.6871 -8.6849 -8.4333 -8.4325 0.8358 0.9098 1.3082 1.5458 1.8541 1.9384 1.9703 2.0408 2.1237 2.1582 2.2054 2.3539 2.4051 2.5424 2.6205 2.8463 3.3425 3.3483 3.4758 3.5589 3.7611 3.7883 3.8115 3.8995 4.1187 4.1642 4.2357 4.2990 4.4096 4.4472 5.6050 5.6234 5.6784 5.7701 5.8137 5.9107 6.0408 6.0648 6.5078 6.5517 6.7393 6.7658 7.3661 7.3820 7.5314 7.6163 8.3490 8.3608 12.9733 13.0332 13.2546 13.2569 13.4210 13.4543 14.2079 14.3092 14.3573 14.4220 k = 0.3333 0.5774 0.1084 ( 3510 PWs) bands (ev): -8.9353 -8.9340 -8.7033 -8.7011 -8.4244 -8.4237 0.8211 0.8879 1.3394 1.5832 1.8396 1.9395 1.9656 2.0388 2.1211 2.1582 2.1950 2.3525 2.4015 2.5248 2.6551 2.8788 3.3317 3.3528 3.4813 3.5377 3.7380 3.7748 3.7895 3.8814 4.1255 4.1675 4.2403 4.3076 4.4107 4.4418 5.6120 5.6253 5.6750 5.7780 5.8170 5.9485 6.0438 6.1008 6.5116 6.5566 6.7557 6.7806 7.3395 7.3587 7.4763 7.5678 8.3721 8.3834 12.9828 13.0466 13.2424 13.2472 13.4300 13.4609 14.1973 14.2992 14.3548 14.4088 k = 0.3333 0.5774 0.1193 ( 3516 PWs) bands (ev): -8.9271 -8.9258 -8.7194 -8.7172 -8.4164 -8.4158 0.8081 0.8676 1.3703 1.6201 1.8232 1.9396 1.9623 2.0377 2.1159 2.1578 2.1872 2.3519 2.3974 2.5065 2.6918 2.9128 3.3164 3.3570 3.4895 3.5151 3.7167 3.7581 3.7672 3.8628 4.1368 4.1727 4.2434 4.3167 4.4109 4.4347 5.6190 5.6277 5.6720 5.7836 5.8189 5.9841 6.0484 6.1414 6.5164 6.5638 6.7719 6.7946 7.3117 7.3349 7.4219 7.5205 8.3929 8.4036 12.9933 13.0602 13.2276 13.2395 13.4387 13.4669 14.1882 14.2896 14.3520 14.3967 k = 0.3333 0.5774 0.1301 ( 3519 PWs) bands (ev): -8.9183 -8.9168 -8.7353 -8.7331 -8.4092 -8.4087 0.7970 0.8490 1.4008 1.6561 1.8052 1.9383 1.9603 2.0376 2.1088 2.1572 2.1815 2.3520 2.3929 2.4878 2.7305 2.9480 3.2961 3.3600 3.4921 3.4997 3.6992 3.7394 3.7449 3.8438 4.1511 4.1790 4.2452 4.3259 4.4103 4.4262 5.6257 5.6305 5.6694 5.7875 5.8196 6.0107 6.0609 6.1850 6.5214 6.5727 6.7878 6.8078 7.2832 7.3113 7.3690 7.4751 8.4115 8.4213 13.0048 13.0740 13.2126 13.2316 13.4469 13.4721 14.1805 14.2807 14.3493 14.3858 k = 0.3333 0.5774 0.1410 ( 3525 PWs) bands (ev): -8.9087 -8.9072 -8.7510 -8.7488 -8.4029 -8.4025 0.7877 0.8323 1.4305 1.6910 1.7861 1.9351 1.9592 2.0384 2.1006 2.1565 2.1773 2.3529 2.3885 2.4693 2.7709 2.9841 3.2707 3.3602 3.4703 3.5114 3.6866 3.7200 3.7227 3.8245 4.1675 4.1860 4.2457 4.3351 4.4088 4.4165 5.6320 5.6336 5.6670 5.7903 5.8191 6.0214 6.0870 6.2304 6.5258 6.5828 6.8033 6.8201 7.2546 7.2887 7.3185 7.4323 8.4277 8.4365 13.0171 13.0877 13.1974 13.2233 13.4546 13.4765 14.1742 14.2725 14.3467 14.3761 k = 0.3333 0.5774 0.1518 ( 3531 PWs) bands (ev): -8.8985 -8.8969 -8.7664 -8.7642 -8.3976 -8.3972 0.7804 0.8176 1.4593 1.7245 1.7662 1.9299 1.9586 2.0401 2.0923 2.1558 2.1737 2.3547 2.3843 2.4513 2.8129 3.0208 3.2403 3.3547 3.4525 3.5242 3.6797 3.7009 3.7011 3.8051 4.1848 4.1934 4.2451 4.3441 4.4059 4.4064 5.6369 5.6376 5.6647 5.7925 5.8178 6.0235 6.1187 6.2764 6.5283 6.5932 6.8182 6.8314 7.2267 7.2678 7.2715 7.3928 8.4415 8.4492 13.0302 13.1013 13.1821 13.2147 13.4616 13.4801 14.1692 14.2652 14.3445 14.3676 k = 0.3333 0.5774 0.1627 ( 3519 PWs) bands (ev): -8.8877 -8.8860 -8.7816 -8.7794 -8.3931 -8.3928 0.7750 0.8047 1.4866 1.7460 1.7564 1.9221 1.9585 2.0427 2.0845 2.1553 2.1704 2.3576 2.3806 2.4342 2.8562 3.0579 3.2053 3.3407 3.4416 3.5379 3.6784 3.6796 3.6838 3.7858 4.2008 4.2019 4.2434 4.3528 4.3948 4.4032 5.6403 5.6426 5.6625 5.7946 5.8156 6.0229 6.1492 6.3217 6.5277 6.6033 6.8322 6.8418 7.2004 7.2293 7.2497 7.3577 8.4531 8.4595 13.0439 13.1147 13.1666 13.2056 13.4679 13.4828 14.1653 14.2590 14.3427 14.3603 k = 0.3333 0.5774 0.1735 ( 3516 PWs) bands (ev): -8.8762 -8.8745 -8.7964 -8.7942 -8.3897 -8.3894 0.7716 0.7939 1.5117 1.7264 1.7863 1.9115 1.9585 2.0461 2.0773 2.1552 2.1671 2.3616 2.3775 2.4186 2.9005 3.0946 3.1666 3.3184 3.4373 3.5525 3.6589 3.6691 3.6821 3.7669 4.2081 4.2178 4.2407 4.3611 4.3840 4.3992 5.6436 5.6466 5.6603 5.7967 5.8130 6.0216 6.1755 6.3652 6.5227 6.6121 6.8448 6.8508 7.1771 7.1937 7.2351 7.3280 8.4623 8.4672 13.0580 13.1277 13.1512 13.1961 13.4733 13.4845 14.1624 14.2539 14.3416 14.3543 k = 0.3333 0.5774 0.1843 ( 3522 PWs) bands (ev): -8.8642 -8.8625 -8.8109 -8.8087 -8.3872 -8.3870 0.7702 0.7851 1.5333 1.7088 1.8140 1.8979 1.9587 2.0501 2.0708 2.1557 2.1640 2.3669 2.3752 2.4046 2.9456 3.1250 3.1302 3.2912 3.4368 3.5680 3.6389 3.6578 3.6901 3.7486 4.2151 4.2313 4.2371 4.3689 4.3744 4.3944 5.6469 5.6495 5.6580 5.7989 5.8101 6.0202 6.1956 6.4054 6.5120 6.6190 6.8550 6.8581 7.1583 7.1664 7.2247 7.3051 8.4691 8.4724 13.0723 13.1359 13.1404 13.1860 13.4777 13.4852 14.1605 14.2502 14.3413 14.3495 k = 0.3333 0.5774 0.1952 ( 3510 PWs) bands (ev): -8.8516 -8.8499 -8.8249 -8.8226 -8.3856 -8.3856 0.7709 0.7783 1.5488 1.6957 1.8392 1.8813 1.9588 2.0546 2.0649 2.1568 2.1611 2.3737 2.3738 2.3925 2.9911 3.0814 3.1617 3.2641 3.4375 3.5843 3.6198 3.6506 3.7014 3.7313 4.2216 4.2327 4.2406 4.3675 4.3762 4.3890 5.6500 5.6514 5.6556 5.8014 5.8071 6.0193 6.2083 6.4411 6.4950 6.6234 6.8618 6.8630 7.1460 7.1490 7.2186 7.2905 8.4735 8.4752 13.0864 13.1213 13.1526 13.1754 13.4812 13.4849 14.1593 14.2480 14.3418 14.3458 k = 0.3333 0.5774 0.2060 ( 3510 PWs) bands (ev): -8.8391 -8.8385 -8.8385 -8.8340 -8.3851 -8.3851 0.7735 0.7735 1.5547 1.6906 1.8617 1.8617 1.9588 2.0596 2.0596 2.1586 2.1586 2.3733 2.3822 2.3822 3.0366 3.0366 3.1775 3.2496 3.4379 3.6016 3.6016 3.6482 3.7154 3.7154 4.2275 4.2275 4.2440 4.3649 4.3829 4.3829 5.6520 5.6529 5.6529 5.8042 5.8042 6.0190 6.2126 6.4713 6.4713 6.6249 6.8645 6.8645 7.1423 7.1423 7.2167 7.2854 8.4756 8.4756 13.0956 13.1119 13.1642 13.1642 13.4836 13.4836 14.1590 14.2472 14.3433 14.3433 Writing output data file HgO.save init_run : 0.52s CPU 0.62s WALL ( 1 calls) electrons : 677.58s CPU 681.58s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.03s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 677.57s CPU 681.57s 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 0.16s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.04s WALL ( 346 calls) cegterg : 656.82s CPU 660.58s WALL ( 988 calls) Called by sum_band: Called by *egterg: h_psi : 341.99s CPU 351.44s WALL ( 17974 calls) s_psi : 29.36s CPU 29.69s WALL ( 17974 calls) g_psi : 1.01s CPU 1.08s WALL ( 16640 calls) cdiaghg : 227.65s CPU 224.42s WALL ( 16986 calls) cegterg:over : 30.63s CPU 27.55s WALL ( 16640 calls) cegterg:upda : 7.66s CPU 10.73s WALL ( 16640 calls) cegterg:last : 7.49s CPU 8.71s WALL ( 3292 calls) Called by h_psi: h_psi:vloc : 307.96s CPU 314.93s WALL ( 17974 calls) h_psi:vnl : 33.86s CPU 35.98s WALL ( 17974 calls) add_vuspsi : 14.87s CPU 19.33s WALL ( 17974 calls) General routines calbec : 18.97s CPU 16.60s WALL ( 17974 calls) fft : 0.03s CPU 0.04s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 298.21s CPU 298.16s WALL ( 2516872 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.03s CPU 0.17s WALL ( 692 calls) Parallel routines fft_scatter : 218.42s CPU 181.69s WALL ( 2516895 calls) PWSCF : 11m42.93s CPU 11m54.97s WALL This run was terminated on: 14:36:27 27Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=