Program PWSCF v.5.4.0 starts on 12Feb2017 at 4:27:18 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SiO2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 28 16 5 1658 724 115 Max 29 17 6 1669 743 125 Sum 1027 595 187 59901 26389 4315 bravais-lattice index = 14 lattice parameter (alat) = 6.7803 a.u. unit-cell volume = 607.1633 (a.u.)^3 number of atoms/cell = 9 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.780337 celldm(2)= 1.000000 celldm(3)= 2.249164 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 2.249164 ) 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 0.444610 ) PseudoPot. # 1 for O read from file: /users/gautes/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 PseudoPot. # 2 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Si 4.00 28.08550 Si( 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 ) ( -0.7497213 ) 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 ) ( 0.7497213 ) 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 ) ( -0.7497213 ) 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 ) ( 0.7497213 ) 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 and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 349 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028653 k( 2) = ( 0.0098039 0.0056603 -0.0000000), wk = 0.0028653 k( 3) = ( 0.0196078 0.0113206 -0.0000000), wk = 0.0028653 k( 4) = ( 0.0294118 0.0169809 -0.0000000), wk = 0.0028653 k( 5) = ( 0.0392157 0.0226412 -0.0000000), wk = 0.0028653 k( 6) = ( 0.0490196 0.0283015 -0.0000000), wk = 0.0028653 k( 7) = ( 0.0588235 0.0339618 -0.0000000), wk = 0.0028653 k( 8) = ( 0.0686275 0.0396221 -0.0000000), wk = 0.0028653 k( 9) = ( 0.0784314 0.0452824 -0.0000000), wk = 0.0028653 k( 10) = ( 0.0882353 0.0509427 -0.0000000), wk = 0.0028653 k( 11) = ( 0.0980392 0.0566030 -0.0000000), wk = 0.0028653 k( 12) = ( 0.1078431 0.0622633 -0.0000000), wk = 0.0028653 k( 13) = ( 0.1176471 0.0679236 -0.0000000), wk = 0.0028653 k( 14) = ( 0.1274510 0.0735839 -0.0000000), wk = 0.0028653 k( 15) = ( 0.1372549 0.0792442 -0.0000000), wk = 0.0028653 k( 16) = ( 0.1470588 0.0849044 -0.0000000), wk = 0.0028653 k( 17) = ( 0.1568627 0.0905648 -0.0000000), wk = 0.0028653 k( 18) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0028653 k( 19) = ( 0.1764706 0.1018853 -0.0000000), wk = 0.0028653 k( 20) = ( 0.1862745 0.1075456 -0.0000000), wk = 0.0028653 k( 21) = ( 0.1960784 0.1132059 -0.0000000), wk = 0.0028653 k( 22) = ( 0.2058823 0.1188662 -0.0000000), wk = 0.0028653 k( 23) = ( 0.2156863 0.1245265 -0.0000000), wk = 0.0028653 k( 24) = ( 0.2254902 0.1301868 -0.0000000), wk = 0.0028653 k( 25) = ( 0.2352941 0.1358471 -0.0000000), wk = 0.0028653 k( 26) = ( 0.2450980 0.1415074 -0.0000000), wk = 0.0028653 k( 27) = ( 0.2549020 0.1471677 -0.0000000), wk = 0.0028653 k( 28) = ( 0.2647059 0.1528280 -0.0000000), wk = 0.0028653 k( 29) = ( 0.2745098 0.1584883 -0.0000000), wk = 0.0028653 k( 30) = ( 0.2843137 0.1641486 -0.0000000), wk = 0.0028653 k( 31) = ( 0.2941177 0.1698089 -0.0000000), wk = 0.0028653 k( 32) = ( 0.3039216 0.1754692 -0.0000000), wk = 0.0028653 k( 33) = ( 0.3137255 0.1811295 -0.0000000), wk = 0.0028653 k( 34) = ( 0.3235294 0.1867898 -0.0000000), wk = 0.0028653 k( 35) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0028653 k( 36) = ( 0.3431373 0.1981104 -0.0000000), wk = 0.0028653 k( 37) = ( 0.3529412 0.2037707 -0.0000000), wk = 0.0028653 k( 38) = ( 0.3627451 0.2094310 -0.0000000), wk = 0.0028653 k( 39) = ( 0.3725490 0.2150913 -0.0000000), wk = 0.0028653 k( 40) = ( 0.3823529 0.2207516 -0.0000000), wk = 0.0028653 k( 41) = ( 0.3921569 0.2264119 -0.0000000), wk = 0.0028653 k( 42) = ( 0.4019608 0.2320722 -0.0000000), wk = 0.0028653 k( 43) = ( 0.4117647 0.2377325 -0.0000000), wk = 0.0028653 k( 44) = ( 0.4215686 0.2433928 -0.0000000), wk = 0.0028653 k( 45) = ( 0.4313726 0.2490531 -0.0000000), wk = 0.0028653 k( 46) = ( 0.4411765 0.2547134 -0.0000000), wk = 0.0028653 k( 47) = ( 0.4509804 0.2603736 -0.0000000), wk = 0.0028653 k( 48) = ( 0.4607843 0.2660339 -0.0000000), wk = 0.0028653 k( 49) = ( 0.4705882 0.2716942 -0.0000000), wk = 0.0028653 k( 50) = ( 0.4803922 0.2773545 -0.0000000), wk = 0.0028653 k( 51) = ( 0.4901961 0.2830148 -0.0000000), wk = 0.0028653 k( 52) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028653 k( 53) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028653 k( 54) = ( 0.4944444 0.2982976 -0.0000000), wk = 0.0028653 k( 55) = ( 0.4888889 0.3079201 -0.0000000), wk = 0.0028653 k( 56) = ( 0.4833333 0.3175426 -0.0000000), wk = 0.0028653 k( 57) = ( 0.4777778 0.3271651 -0.0000000), wk = 0.0028653 k( 58) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0028653 k( 59) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0028653 k( 60) = ( 0.4611111 0.3560327 -0.0000000), wk = 0.0028653 k( 61) = ( 0.4555556 0.3656552 -0.0000000), wk = 0.0028653 k( 62) = ( 0.4500000 0.3752777 -0.0000000), wk = 0.0028653 k( 63) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0028653 k( 64) = ( 0.4388889 0.3945227 -0.0000000), wk = 0.0028653 k( 65) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0028653 k( 66) = ( 0.4277778 0.4137677 -0.0000000), wk = 0.0028653 k( 67) = ( 0.4222222 0.4233902 -0.0000000), wk = 0.0028653 k( 68) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0028653 k( 69) = ( 0.4111111 0.4426352 -0.0000000), wk = 0.0028653 k( 70) = ( 0.4055556 0.4522577 -0.0000000), wk = 0.0028653 k( 71) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0028653 k( 72) = ( 0.3944444 0.4715027 -0.0000000), wk = 0.0028653 k( 73) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0028653 k( 74) = ( 0.3833333 0.4907477 -0.0000000), wk = 0.0028653 k( 75) = ( 0.3777778 0.5003702 -0.0000000), wk = 0.0028653 k( 76) = ( 0.3722222 0.5099927 -0.0000000), wk = 0.0028653 k( 77) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0028653 k( 78) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0028653 k( 79) = ( 0.3555556 0.5388603 -0.0000000), wk = 0.0028653 k( 80) = ( 0.3500000 0.5484828 -0.0000000), wk = 0.0028653 k( 81) = ( 0.3444444 0.5581053 -0.0000000), wk = 0.0028653 k( 82) = ( 0.3388889 0.5677278 -0.0000000), wk = 0.0028653 k( 83) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028653 k( 84) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028653 k( 85) = ( 0.3276836 0.5675647 -0.0000000), wk = 0.0028653 k( 86) = ( 0.3220339 0.5577791 -0.0000000), wk = 0.0028653 k( 87) = ( 0.3163842 0.5479935 -0.0000000), wk = 0.0028653 k( 88) = ( 0.3107345 0.5382079 -0.0000000), wk = 0.0028653 k( 89) = ( 0.3050848 0.5284223 -0.0000000), wk = 0.0028653 k( 90) = ( 0.2994350 0.5186367 -0.0000000), wk = 0.0028653 k( 91) = ( 0.2937853 0.5088511 -0.0000000), wk = 0.0028653 k( 92) = ( 0.2881356 0.4990655 -0.0000000), wk = 0.0028653 k( 93) = ( 0.2824859 0.4892799 -0.0000000), wk = 0.0028653 k( 94) = ( 0.2768362 0.4794943 -0.0000000), wk = 0.0028653 k( 95) = ( 0.2711864 0.4697087 -0.0000000), wk = 0.0028653 k( 96) = ( 0.2655367 0.4599231 -0.0000000), wk = 0.0028653 k( 97) = ( 0.2598870 0.4501375 -0.0000000), wk = 0.0028653 k( 98) = ( 0.2542373 0.4403519 -0.0000000), wk = 0.0028653 k( 99) = ( 0.2485876 0.4305663 -0.0000000), wk = 0.0028653 k( 100) = ( 0.2429379 0.4207807 -0.0000000), wk = 0.0028653 k( 101) = ( 0.2372881 0.4109951 -0.0000000), wk = 0.0028653 k( 102) = ( 0.2316384 0.4012095 -0.0000000), wk = 0.0028653 k( 103) = ( 0.2259887 0.3914239 -0.0000000), wk = 0.0028653 k( 104) = ( 0.2203390 0.3816383 -0.0000000), wk = 0.0028653 k( 105) = ( 0.2146893 0.3718527 -0.0000000), wk = 0.0028653 k( 106) = ( 0.2090395 0.3620671 -0.0000000), wk = 0.0028653 k( 107) = ( 0.2033898 0.3522815 -0.0000000), wk = 0.0028653 k( 108) = ( 0.1977401 0.3424959 -0.0000000), wk = 0.0028653 k( 109) = ( 0.1920904 0.3327103 -0.0000000), wk = 0.0028653 k( 110) = ( 0.1864407 0.3229247 -0.0000000), wk = 0.0028653 k( 111) = ( 0.1807910 0.3131391 -0.0000000), wk = 0.0028653 k( 112) = ( 0.1751412 0.3033535 -0.0000000), wk = 0.0028653 k( 113) = ( 0.1694915 0.2935679 -0.0000000), wk = 0.0028653 k( 114) = ( 0.1638418 0.2837823 -0.0000000), wk = 0.0028653 k( 115) = ( 0.1581921 0.2739967 -0.0000000), wk = 0.0028653 k( 116) = ( 0.1525424 0.2642111 -0.0000000), wk = 0.0028653 k( 117) = ( 0.1468927 0.2544256 -0.0000000), wk = 0.0028653 k( 118) = ( 0.1412429 0.2446399 -0.0000000), wk = 0.0028653 k( 119) = ( 0.1355932 0.2348543 -0.0000000), wk = 0.0028653 k( 120) = ( 0.1299435 0.2250687 -0.0000000), wk = 0.0028653 k( 121) = ( 0.1242938 0.2152832 -0.0000000), wk = 0.0028653 k( 122) = ( 0.1186441 0.2054976 -0.0000000), wk = 0.0028653 k( 123) = ( 0.1129943 0.1957120 -0.0000000), wk = 0.0028653 k( 124) = ( 0.1073446 0.1859264 -0.0000000), wk = 0.0028653 k( 125) = ( 0.1016949 0.1761408 -0.0000000), wk = 0.0028653 k( 126) = ( 0.0960452 0.1663552 -0.0000000), wk = 0.0028653 k( 127) = ( 0.0903955 0.1565696 -0.0000000), wk = 0.0028653 k( 128) = ( 0.0847458 0.1467840 -0.0000000), wk = 0.0028653 k( 129) = ( 0.0790961 0.1369984 -0.0000000), wk = 0.0028653 k( 130) = ( 0.0734463 0.1272128 -0.0000000), wk = 0.0028653 k( 131) = ( 0.0677966 0.1174272 -0.0000000), wk = 0.0028653 k( 132) = ( 0.0621469 0.1076416 -0.0000000), wk = 0.0028653 k( 133) = ( 0.0564972 0.0978560 -0.0000000), wk = 0.0028653 k( 134) = ( 0.0508475 0.0880704 -0.0000000), wk = 0.0028653 k( 135) = ( 0.0451977 0.0782848 -0.0000000), wk = 0.0028653 k( 136) = ( 0.0395480 0.0684992 -0.0000000), wk = 0.0028653 k( 137) = ( 0.0338983 0.0587136 -0.0000000), wk = 0.0028653 k( 138) = ( 0.0282486 0.0489280 -0.0000000), wk = 0.0028653 k( 139) = ( 0.0225989 0.0391424 -0.0000000), wk = 0.0028653 k( 140) = ( 0.0169491 0.0293568 -0.0000000), wk = 0.0028653 k( 141) = ( 0.0112994 0.0195712 -0.0000000), wk = 0.0028653 k( 142) = ( 0.0056497 0.0097856 -0.0000000), wk = 0.0028653 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028653 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028653 k( 145) = ( 0.0000000 0.0000000 0.0111152), wk = 0.0028653 k( 146) = ( 0.0000000 0.0000000 0.0222305), wk = 0.0028653 k( 147) = ( 0.0000000 0.0000000 0.0333457), wk = 0.0028653 k( 148) = ( 0.0000000 0.0000000 0.0444610), wk = 0.0028653 k( 149) = ( 0.0000000 0.0000000 0.0555762), wk = 0.0028653 k( 150) = ( 0.0000000 0.0000000 0.0666914), wk = 0.0028653 k( 151) = ( 0.0000000 0.0000000 0.0778067), wk = 0.0028653 k( 152) = ( 0.0000000 0.0000000 0.0889219), wk = 0.0028653 k( 153) = ( 0.0000000 0.0000000 0.1000372), wk = 0.0028653 k( 154) = ( 0.0000000 0.0000000 0.1111524), wk = 0.0028653 k( 155) = ( 0.0000000 0.0000000 0.1222677), wk = 0.0028653 k( 156) = ( 0.0000000 0.0000000 0.1333829), wk = 0.0028653 k( 157) = ( 0.0000000 0.0000000 0.1444981), wk = 0.0028653 k( 158) = ( 0.0000000 0.0000000 0.1556134), wk = 0.0028653 k( 159) = ( 0.0000000 0.0000000 0.1667286), wk = 0.0028653 k( 160) = ( 0.0000000 0.0000000 0.1778439), wk = 0.0028653 k( 161) = ( 0.0000000 0.0000000 0.1889591), wk = 0.0028653 k( 162) = ( 0.0000000 0.0000000 0.2000743), wk = 0.0028653 k( 163) = ( 0.0000000 0.0000000 0.2111896), wk = 0.0028653 k( 164) = ( 0.0000000 0.0000000 0.2223048), wk = 0.0028653 k( 165) = ( 0.0000000 0.0000000 0.2223048), wk = 0.0028653 k( 166) = ( 0.0098039 0.0056603 0.2223048), wk = 0.0028653 k( 167) = ( 0.0196078 0.0113206 0.2223048), wk = 0.0028653 k( 168) = ( 0.0294118 0.0169809 0.2223048), wk = 0.0028653 k( 169) = ( 0.0392157 0.0226412 0.2223048), wk = 0.0028653 k( 170) = ( 0.0490196 0.0283015 0.2223048), wk = 0.0028653 k( 171) = ( 0.0588235 0.0339618 0.2223048), wk = 0.0028653 k( 172) = ( 0.0686275 0.0396221 0.2223048), wk = 0.0028653 k( 173) = ( 0.0784314 0.0452824 0.2223048), wk = 0.0028653 k( 174) = ( 0.0882353 0.0509427 0.2223048), wk = 0.0028653 k( 175) = ( 0.0980392 0.0566030 0.2223048), wk = 0.0028653 k( 176) = ( 0.1078431 0.0622633 0.2223048), wk = 0.0028653 k( 177) = ( 0.1176471 0.0679236 0.2223048), wk = 0.0028653 k( 178) = ( 0.1274510 0.0735839 0.2223048), wk = 0.0028653 k( 179) = ( 0.1372549 0.0792442 0.2223048), wk = 0.0028653 k( 180) = ( 0.1470588 0.0849044 0.2223048), wk = 0.0028653 k( 181) = ( 0.1568627 0.0905648 0.2223048), wk = 0.0028653 k( 182) = ( 0.1666667 0.0962250 0.2223048), wk = 0.0028653 k( 183) = ( 0.1764706 0.1018853 0.2223048), wk = 0.0028653 k( 184) = ( 0.1862745 0.1075456 0.2223048), wk = 0.0028653 k( 185) = ( 0.1960784 0.1132059 0.2223048), wk = 0.0028653 k( 186) = ( 0.2058823 0.1188662 0.2223048), wk = 0.0028653 k( 187) = ( 0.2156863 0.1245265 0.2223048), wk = 0.0028653 k( 188) = ( 0.2254902 0.1301868 0.2223048), wk = 0.0028653 k( 189) = ( 0.2352941 0.1358471 0.2223048), wk = 0.0028653 k( 190) = ( 0.2450980 0.1415074 0.2223048), wk = 0.0028653 k( 191) = ( 0.2549020 0.1471677 0.2223048), wk = 0.0028653 k( 192) = ( 0.2647059 0.1528280 0.2223048), wk = 0.0028653 k( 193) = ( 0.2745098 0.1584883 0.2223048), wk = 0.0028653 k( 194) = ( 0.2843137 0.1641486 0.2223048), wk = 0.0028653 k( 195) = ( 0.2941177 0.1698089 0.2223048), wk = 0.0028653 k( 196) = ( 0.3039216 0.1754692 0.2223048), wk = 0.0028653 k( 197) = ( 0.3137255 0.1811295 0.2223048), wk = 0.0028653 k( 198) = ( 0.3235294 0.1867898 0.2223048), wk = 0.0028653 k( 199) = ( 0.3333333 0.1924501 0.2223048), wk = 0.0028653 k( 200) = ( 0.3431373 0.1981104 0.2223048), wk = 0.0028653 k( 201) = ( 0.3529412 0.2037707 0.2223048), wk = 0.0028653 k( 202) = ( 0.3627451 0.2094310 0.2223048), wk = 0.0028653 k( 203) = ( 0.3725490 0.2150913 0.2223048), wk = 0.0028653 k( 204) = ( 0.3823529 0.2207516 0.2223048), wk = 0.0028653 k( 205) = ( 0.3921569 0.2264119 0.2223048), wk = 0.0028653 k( 206) = ( 0.4019608 0.2320722 0.2223048), wk = 0.0028653 k( 207) = ( 0.4117647 0.2377325 0.2223048), wk = 0.0028653 k( 208) = ( 0.4215686 0.2433928 0.2223048), wk = 0.0028653 k( 209) = ( 0.4313726 0.2490531 0.2223048), wk = 0.0028653 k( 210) = ( 0.4411765 0.2547134 0.2223048), wk = 0.0028653 k( 211) = ( 0.4509804 0.2603736 0.2223048), wk = 0.0028653 k( 212) = ( 0.4607843 0.2660339 0.2223048), wk = 0.0028653 k( 213) = ( 0.4705882 0.2716942 0.2223048), wk = 0.0028653 k( 214) = ( 0.4803922 0.2773545 0.2223048), wk = 0.0028653 k( 215) = ( 0.4901961 0.2830148 0.2223048), wk = 0.0028653 k( 216) = ( 0.5000000 0.2886751 0.2223048), wk = 0.0028653 k( 217) = ( 0.5000000 0.2886751 0.2223048), wk = 0.0028653 k( 218) = ( 0.4944444 0.2982976 0.2223048), wk = 0.0028653 k( 219) = ( 0.4888889 0.3079201 0.2223048), wk = 0.0028653 k( 220) = ( 0.4833333 0.3175426 0.2223048), wk = 0.0028653 k( 221) = ( 0.4777778 0.3271651 0.2223048), wk = 0.0028653 k( 222) = ( 0.4722222 0.3367877 0.2223048), wk = 0.0028653 k( 223) = ( 0.4666667 0.3464102 0.2223048), wk = 0.0028653 k( 224) = ( 0.4611111 0.3560327 0.2223048), wk = 0.0028653 k( 225) = ( 0.4555556 0.3656552 0.2223048), wk = 0.0028653 k( 226) = ( 0.4500000 0.3752777 0.2223048), wk = 0.0028653 k( 227) = ( 0.4444444 0.3849002 0.2223048), wk = 0.0028653 k( 228) = ( 0.4388889 0.3945227 0.2223048), wk = 0.0028653 k( 229) = ( 0.4333333 0.4041452 0.2223048), wk = 0.0028653 k( 230) = ( 0.4277778 0.4137677 0.2223048), wk = 0.0028653 k( 231) = ( 0.4222222 0.4233902 0.2223048), wk = 0.0028653 k( 232) = ( 0.4166667 0.4330127 0.2223048), wk = 0.0028653 k( 233) = ( 0.4111111 0.4426352 0.2223048), wk = 0.0028653 k( 234) = ( 0.4055556 0.4522577 0.2223048), wk = 0.0028653 k( 235) = ( 0.4000000 0.4618802 0.2223048), wk = 0.0028653 k( 236) = ( 0.3944444 0.4715027 0.2223048), wk = 0.0028653 k( 237) = ( 0.3888889 0.4811252 0.2223048), wk = 0.0028653 k( 238) = ( 0.3833333 0.4907477 0.2223048), wk = 0.0028653 k( 239) = ( 0.3777778 0.5003702 0.2223048), wk = 0.0028653 k( 240) = ( 0.3722222 0.5099927 0.2223048), wk = 0.0028653 k( 241) = ( 0.3666667 0.5196152 0.2223048), wk = 0.0028653 k( 242) = ( 0.3611111 0.5292377 0.2223048), wk = 0.0028653 k( 243) = ( 0.3555556 0.5388603 0.2223048), wk = 0.0028653 k( 244) = ( 0.3500000 0.5484828 0.2223048), wk = 0.0028653 k( 245) = ( 0.3444444 0.5581053 0.2223048), wk = 0.0028653 k( 246) = ( 0.3388889 0.5677278 0.2223048), wk = 0.0028653 k( 247) = ( 0.3333333 0.5773503 0.2223048), wk = 0.0028653 k( 248) = ( 0.3333333 0.5773503 0.2223048), wk = 0.0028653 k( 249) = ( 0.3276836 0.5675647 0.2223048), wk = 0.0028653 k( 250) = ( 0.3220339 0.5577791 0.2223048), wk = 0.0028653 k( 251) = ( 0.3163842 0.5479935 0.2223048), wk = 0.0028653 k( 252) = ( 0.3107345 0.5382079 0.2223048), wk = 0.0028653 k( 253) = ( 0.3050848 0.5284223 0.2223048), wk = 0.0028653 k( 254) = ( 0.2994350 0.5186367 0.2223048), wk = 0.0028653 k( 255) = ( 0.2937853 0.5088511 0.2223048), wk = 0.0028653 k( 256) = ( 0.2881356 0.4990655 0.2223048), wk = 0.0028653 k( 257) = ( 0.2824859 0.4892799 0.2223048), wk = 0.0028653 k( 258) = ( 0.2768362 0.4794943 0.2223048), wk = 0.0028653 k( 259) = ( 0.2711864 0.4697087 0.2223048), wk = 0.0028653 k( 260) = ( 0.2655367 0.4599231 0.2223048), wk = 0.0028653 k( 261) = ( 0.2598870 0.4501375 0.2223048), wk = 0.0028653 k( 262) = ( 0.2542373 0.4403519 0.2223048), wk = 0.0028653 k( 263) = ( 0.2485876 0.4305663 0.2223048), wk = 0.0028653 k( 264) = ( 0.2429379 0.4207807 0.2223048), wk = 0.0028653 k( 265) = ( 0.2372881 0.4109951 0.2223048), wk = 0.0028653 k( 266) = ( 0.2316384 0.4012095 0.2223048), wk = 0.0028653 k( 267) = ( 0.2259887 0.3914239 0.2223048), wk = 0.0028653 k( 268) = ( 0.2203390 0.3816383 0.2223048), wk = 0.0028653 k( 269) = ( 0.2146893 0.3718527 0.2223048), wk = 0.0028653 k( 270) = ( 0.2090395 0.3620671 0.2223048), wk = 0.0028653 k( 271) = ( 0.2033898 0.3522815 0.2223048), wk = 0.0028653 k( 272) = ( 0.1977401 0.3424959 0.2223048), wk = 0.0028653 k( 273) = ( 0.1920904 0.3327103 0.2223048), wk = 0.0028653 k( 274) = ( 0.1864407 0.3229247 0.2223048), wk = 0.0028653 k( 275) = ( 0.1807910 0.3131391 0.2223048), wk = 0.0028653 k( 276) = ( 0.1751412 0.3033535 0.2223048), wk = 0.0028653 k( 277) = ( 0.1694915 0.2935679 0.2223048), wk = 0.0028653 k( 278) = ( 0.1638418 0.2837823 0.2223048), wk = 0.0028653 k( 279) = ( 0.1581921 0.2739967 0.2223048), wk = 0.0028653 k( 280) = ( 0.1525424 0.2642111 0.2223048), wk = 0.0028653 k( 281) = ( 0.1468927 0.2544256 0.2223048), wk = 0.0028653 k( 282) = ( 0.1412429 0.2446399 0.2223048), wk = 0.0028653 k( 283) = ( 0.1355932 0.2348543 0.2223048), wk = 0.0028653 k( 284) = ( 0.1299435 0.2250687 0.2223048), wk = 0.0028653 k( 285) = ( 0.1242938 0.2152832 0.2223048), wk = 0.0028653 k( 286) = ( 0.1186441 0.2054976 0.2223048), wk = 0.0028653 k( 287) = ( 0.1129943 0.1957120 0.2223048), wk = 0.0028653 k( 288) = ( 0.1073446 0.1859264 0.2223048), wk = 0.0028653 k( 289) = ( 0.1016949 0.1761408 0.2223048), wk = 0.0028653 k( 290) = ( 0.0960452 0.1663552 0.2223048), wk = 0.0028653 k( 291) = ( 0.0903955 0.1565696 0.2223048), wk = 0.0028653 k( 292) = ( 0.0847458 0.1467840 0.2223048), wk = 0.0028653 k( 293) = ( 0.0790961 0.1369984 0.2223048), wk = 0.0028653 k( 294) = ( 0.0734463 0.1272128 0.2223048), wk = 0.0028653 k( 295) = ( 0.0677966 0.1174272 0.2223048), wk = 0.0028653 k( 296) = ( 0.0621469 0.1076416 0.2223048), wk = 0.0028653 k( 297) = ( 0.0564972 0.0978560 0.2223048), wk = 0.0028653 k( 298) = ( 0.0508475 0.0880704 0.2223048), wk = 0.0028653 k( 299) = ( 0.0451977 0.0782848 0.2223048), wk = 0.0028653 k( 300) = ( 0.0395480 0.0684992 0.2223048), wk = 0.0028653 k( 301) = ( 0.0338983 0.0587136 0.2223048), wk = 0.0028653 k( 302) = ( 0.0282486 0.0489280 0.2223048), wk = 0.0028653 k( 303) = ( 0.0225989 0.0391424 0.2223048), wk = 0.0028653 k( 304) = ( 0.0169491 0.0293568 0.2223048), wk = 0.0028653 k( 305) = ( 0.0112994 0.0195712 0.2223048), wk = 0.0028653 k( 306) = ( 0.0056497 0.0097856 0.2223048), wk = 0.0028653 k( 307) = ( 0.0000000 0.0000000 0.2223048), wk = 0.0028653 k( 308) = ( 0.5000000 0.2886751 0.2223048), wk = 0.0028653 k( 309) = ( 0.5000000 0.2886751 0.2111896), wk = 0.0028653 k( 310) = ( 0.5000000 0.2886751 0.2000743), wk = 0.0028653 k( 311) = ( 0.5000000 0.2886751 0.1889591), wk = 0.0028653 k( 312) = ( 0.5000000 0.2886751 0.1778439), wk = 0.0028653 k( 313) = ( 0.5000000 0.2886751 0.1667286), wk = 0.0028653 k( 314) = ( 0.5000000 0.2886751 0.1556134), wk = 0.0028653 k( 315) = ( 0.5000000 0.2886751 0.1444981), wk = 0.0028653 k( 316) = ( 0.5000000 0.2886751 0.1333829), wk = 0.0028653 k( 317) = ( 0.5000000 0.2886751 0.1222677), wk = 0.0028653 k( 318) = ( 0.5000000 0.2886751 0.1111524), wk = 0.0028653 k( 319) = ( 0.5000000 0.2886751 0.1000372), wk = 0.0028653 k( 320) = ( 0.5000000 0.2886751 0.0889219), wk = 0.0028653 k( 321) = ( 0.5000000 0.2886751 0.0778067), wk = 0.0028653 k( 322) = ( 0.5000000 0.2886751 0.0666914), wk = 0.0028653 k( 323) = ( 0.5000000 0.2886751 0.0555762), wk = 0.0028653 k( 324) = ( 0.5000000 0.2886751 0.0444610), wk = 0.0028653 k( 325) = ( 0.5000000 0.2886751 0.0333457), wk = 0.0028653 k( 326) = ( 0.5000000 0.2886751 0.0222305), wk = 0.0028653 k( 327) = ( 0.5000000 0.2886751 0.0111152), wk = 0.0028653 k( 328) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0028653 k( 329) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0028653 k( 330) = ( 0.3333333 0.5773503 0.0111152), wk = 0.0028653 k( 331) = ( 0.3333333 0.5773503 0.0222305), wk = 0.0028653 k( 332) = ( 0.3333333 0.5773503 0.0333457), wk = 0.0028653 k( 333) = ( 0.3333333 0.5773503 0.0444610), wk = 0.0028653 k( 334) = ( 0.3333333 0.5773503 0.0555762), wk = 0.0028653 k( 335) = ( 0.3333333 0.5773503 0.0666914), wk = 0.0028653 k( 336) = ( 0.3333333 0.5773503 0.0778067), wk = 0.0028653 k( 337) = ( 0.3333333 0.5773503 0.0889219), wk = 0.0028653 k( 338) = ( 0.3333333 0.5773503 0.1000372), wk = 0.0028653 k( 339) = ( 0.3333333 0.5773503 0.1111524), wk = 0.0028653 k( 340) = ( 0.3333333 0.5773503 0.1222677), wk = 0.0028653 k( 341) = ( 0.3333333 0.5773503 0.1333829), wk = 0.0028653 k( 342) = ( 0.3333333 0.5773503 0.1444981), wk = 0.0028653 k( 343) = ( 0.3333333 0.5773503 0.1556134), wk = 0.0028653 k( 344) = ( 0.3333333 0.5773503 0.1667286), wk = 0.0028653 k( 345) = ( 0.3333333 0.5773503 0.1778439), wk = 0.0028653 k( 346) = ( 0.3333333 0.5773503 0.1889591), wk = 0.0028653 k( 347) = ( 0.3333333 0.5773503 0.2000743), wk = 0.0028653 k( 348) = ( 0.3333333 0.5773503 0.2111896), wk = 0.0028653 k( 349) = ( 0.3333333 0.5773503 0.2223048), wk = 0.0028653 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028653 k( 2) = ( 0.0098039 0.0000000 0.0000000), wk = 0.0028653 k( 3) = ( 0.0196078 0.0000000 0.0000000), wk = 0.0028653 k( 4) = ( 0.0294118 -0.0000000 -0.0000000), wk = 0.0028653 k( 5) = ( 0.0392157 -0.0000000 -0.0000000), wk = 0.0028653 k( 6) = ( 0.0490196 0.0000000 0.0000000), wk = 0.0028653 k( 7) = ( 0.0588235 0.0000000 0.0000000), wk = 0.0028653 k( 8) = ( 0.0686275 0.0000000 0.0000000), wk = 0.0028653 k( 9) = ( 0.0784314 -0.0000000 0.0000000), wk = 0.0028653 k( 10) = ( 0.0882353 -0.0000000 0.0000000), wk = 0.0028653 k( 11) = ( 0.0980392 0.0000000 0.0000000), wk = 0.0028653 k( 12) = ( 0.1078431 0.0000000 -0.0000000), wk = 0.0028653 k( 13) = ( 0.1176471 0.0000000 0.0000000), wk = 0.0028653 k( 14) = ( 0.1274510 0.0000000 0.0000000), wk = 0.0028653 k( 15) = ( 0.1372549 0.0000000 0.0000000), wk = 0.0028653 k( 16) = ( 0.1470588 0.0000000 -0.0000000), wk = 0.0028653 k( 17) = ( 0.1568627 -0.0000000 -0.0000000), wk = 0.0028653 k( 18) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0028653 k( 19) = ( 0.1764706 -0.0000000 -0.0000000), wk = 0.0028653 k( 20) = ( 0.1862745 -0.0000000 -0.0000000), wk = 0.0028653 k( 21) = ( 0.1960784 0.0000000 -0.0000000), wk = 0.0028653 k( 22) = ( 0.2058823 0.0000000 0.0000000), wk = 0.0028653 k( 23) = ( 0.2156863 0.0000000 0.0000000), wk = 0.0028653 k( 24) = ( 0.2254902 0.0000000 -0.0000000), wk = 0.0028653 k( 25) = ( 0.2352941 0.0000000 0.0000000), wk = 0.0028653 k( 26) = ( 0.2450980 0.0000000 -0.0000000), wk = 0.0028653 k( 27) = ( 0.2549020 0.0000000 0.0000000), wk = 0.0028653 k( 28) = ( 0.2647059 0.0000000 0.0000000), wk = 0.0028653 k( 29) = ( 0.2745098 0.0000000 0.0000000), wk = 0.0028653 k( 30) = ( 0.2843137 0.0000000 -0.0000000), wk = 0.0028653 k( 31) = ( 0.2941177 0.0000000 0.0000000), wk = 0.0028653 k( 32) = ( 0.3039216 -0.0000000 -0.0000000), wk = 0.0028653 k( 33) = ( 0.3137255 0.0000000 0.0000000), wk = 0.0028653 k( 34) = ( 0.3235294 -0.0000000 -0.0000000), wk = 0.0028653 k( 35) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0028653 k( 36) = ( 0.3431373 -0.0000000 -0.0000000), wk = 0.0028653 k( 37) = ( 0.3529412 -0.0000000 -0.0000000), wk = 0.0028653 k( 38) = ( 0.3627451 -0.0000000 0.0000000), wk = 0.0028653 k( 39) = ( 0.3725490 -0.0000000 -0.0000000), wk = 0.0028653 k( 40) = ( 0.3823529 0.0000000 0.0000000), wk = 0.0028653 k( 41) = ( 0.3921569 0.0000000 -0.0000000), wk = 0.0028653 k( 42) = ( 0.4019608 0.0000000 -0.0000000), wk = 0.0028653 k( 43) = ( 0.4117647 -0.0000000 0.0000000), wk = 0.0028653 k( 44) = ( 0.4215686 0.0000000 -0.0000000), wk = 0.0028653 k( 45) = ( 0.4313726 -0.0000000 -0.0000000), wk = 0.0028653 k( 46) = ( 0.4411765 -0.0000000 -0.0000000), wk = 0.0028653 k( 47) = ( 0.4509804 0.0000000 -0.0000000), wk = 0.0028653 k( 48) = ( 0.4607843 -0.0000000 0.0000000), wk = 0.0028653 k( 49) = ( 0.4705882 0.0000000 0.0000000), wk = 0.0028653 k( 50) = ( 0.4803922 -0.0000000 -0.0000000), wk = 0.0028653 k( 51) = ( 0.4901961 0.0000000 -0.0000000), wk = 0.0028653 k( 52) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028653 k( 53) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028653 k( 54) = ( 0.4944444 0.0111111 0.0000000), wk = 0.0028653 k( 55) = ( 0.4888889 0.0222222 -0.0000000), wk = 0.0028653 k( 56) = ( 0.4833333 0.0333333 0.0000000), wk = 0.0028653 k( 57) = ( 0.4777778 0.0444444 -0.0000000), wk = 0.0028653 k( 58) = ( 0.4722222 0.0555556 0.0000000), wk = 0.0028653 k( 59) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0028653 k( 60) = ( 0.4611111 0.0777778 0.0000000), wk = 0.0028653 k( 61) = ( 0.4555556 0.0888889 -0.0000000), wk = 0.0028653 k( 62) = ( 0.4500000 0.1000000 0.0000000), wk = 0.0028653 k( 63) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0028653 k( 64) = ( 0.4388889 0.1222222 -0.0000000), wk = 0.0028653 k( 65) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0028653 k( 66) = ( 0.4277778 0.1444444 -0.0000000), wk = 0.0028653 k( 67) = ( 0.4222222 0.1555556 -0.0000000), wk = 0.0028653 k( 68) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0028653 k( 69) = ( 0.4111111 0.1777778 0.0000000), wk = 0.0028653 k( 70) = ( 0.4055556 0.1888889 0.0000000), wk = 0.0028653 k( 71) = ( 0.4000000 0.2000000 -0.0000000), wk = 0.0028653 k( 72) = ( 0.3944444 0.2111111 0.0000000), wk = 0.0028653 k( 73) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0028653 k( 74) = ( 0.3833333 0.2333333 0.0000000), wk = 0.0028653 k( 75) = ( 0.3777778 0.2444444 -0.0000000), wk = 0.0028653 k( 76) = ( 0.3722222 0.2555556 -0.0000000), wk = 0.0028653 k( 77) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0028653 k( 78) = ( 0.3611111 0.2777778 -0.0000000), wk = 0.0028653 k( 79) = ( 0.3555556 0.2888889 0.0000000), wk = 0.0028653 k( 80) = ( 0.3500000 0.3000000 0.0000000), wk = 0.0028653 k( 81) = ( 0.3444444 0.3111111 -0.0000000), wk = 0.0028653 k( 82) = ( 0.3388889 0.3222222 0.0000000), wk = 0.0028653 k( 83) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028653 k( 84) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028653 k( 85) = ( 0.3276836 0.3276836 0.0000000), wk = 0.0028653 k( 86) = ( 0.3220339 0.3220339 0.0000000), wk = 0.0028653 k( 87) = ( 0.3163842 0.3163842 -0.0000000), wk = 0.0028653 k( 88) = ( 0.3107345 0.3107345 -0.0000000), wk = 0.0028653 k( 89) = ( 0.3050848 0.3050848 -0.0000000), wk = 0.0028653 k( 90) = ( 0.2994350 0.2994350 0.0000000), wk = 0.0028653 k( 91) = ( 0.2937853 0.2937853 0.0000000), wk = 0.0028653 k( 92) = ( 0.2881356 0.2881356 -0.0000000), wk = 0.0028653 k( 93) = ( 0.2824859 0.2824859 0.0000000), wk = 0.0028653 k( 94) = ( 0.2768362 0.2768362 -0.0000000), wk = 0.0028653 k( 95) = ( 0.2711864 0.2711864 -0.0000000), wk = 0.0028653 k( 96) = ( 0.2655367 0.2655367 0.0000000), wk = 0.0028653 k( 97) = ( 0.2598870 0.2598870 -0.0000000), wk = 0.0028653 k( 98) = ( 0.2542373 0.2542373 -0.0000000), wk = 0.0028653 k( 99) = ( 0.2485876 0.2485876 0.0000000), wk = 0.0028653 k( 100) = ( 0.2429379 0.2429378 -0.0000000), wk = 0.0028653 k( 101) = ( 0.2372881 0.2372881 -0.0000000), wk = 0.0028653 k( 102) = ( 0.2316384 0.2316384 -0.0000000), wk = 0.0028653 k( 103) = ( 0.2259887 0.2259887 -0.0000000), wk = 0.0028653 k( 104) = ( 0.2203390 0.2203390 0.0000000), wk = 0.0028653 k( 105) = ( 0.2146893 0.2146893 -0.0000000), wk = 0.0028653 k( 106) = ( 0.2090395 0.2090395 0.0000000), wk = 0.0028653 k( 107) = ( 0.2033898 0.2033898 -0.0000000), wk = 0.0028653 k( 108) = ( 0.1977401 0.1977401 -0.0000000), wk = 0.0028653 k( 109) = ( 0.1920904 0.1920904 -0.0000000), wk = 0.0028653 k( 110) = ( 0.1864407 0.1864407 -0.0000000), wk = 0.0028653 k( 111) = ( 0.1807910 0.1807910 -0.0000000), wk = 0.0028653 k( 112) = ( 0.1751412 0.1751412 -0.0000000), wk = 0.0028653 k( 113) = ( 0.1694915 0.1694915 -0.0000000), wk = 0.0028653 k( 114) = ( 0.1638418 0.1638418 0.0000000), wk = 0.0028653 k( 115) = ( 0.1581921 0.1581921 -0.0000000), wk = 0.0028653 k( 116) = ( 0.1525424 0.1525424 0.0000000), wk = 0.0028653 k( 117) = ( 0.1468927 0.1468927 0.0000000), wk = 0.0028653 k( 118) = ( 0.1412429 0.1412429 0.0000000), wk = 0.0028653 k( 119) = ( 0.1355932 0.1355932 -0.0000000), wk = 0.0028653 k( 120) = ( 0.1299435 0.1299435 0.0000000), wk = 0.0028653 k( 121) = ( 0.1242938 0.1242938 -0.0000000), wk = 0.0028653 k( 122) = ( 0.1186441 0.1186441 -0.0000000), wk = 0.0028653 k( 123) = ( 0.1129943 0.1129944 -0.0000000), wk = 0.0028653 k( 124) = ( 0.1073446 0.1073446 -0.0000000), wk = 0.0028653 k( 125) = ( 0.1016949 0.1016949 -0.0000000), wk = 0.0028653 k( 126) = ( 0.0960452 0.0960452 -0.0000000), wk = 0.0028653 k( 127) = ( 0.0903955 0.0903955 -0.0000000), wk = 0.0028653 k( 128) = ( 0.0847458 0.0847458 -0.0000000), wk = 0.0028653 k( 129) = ( 0.0790961 0.0790961 0.0000000), wk = 0.0028653 k( 130) = ( 0.0734463 0.0734463 0.0000000), wk = 0.0028653 k( 131) = ( 0.0677966 0.0677966 -0.0000000), wk = 0.0028653 k( 132) = ( 0.0621469 0.0621469 -0.0000000), wk = 0.0028653 k( 133) = ( 0.0564972 0.0564972 -0.0000000), wk = 0.0028653 k( 134) = ( 0.0508475 0.0508475 -0.0000000), wk = 0.0028653 k( 135) = ( 0.0451977 0.0451977 -0.0000000), wk = 0.0028653 k( 136) = ( 0.0395480 0.0395480 -0.0000000), wk = 0.0028653 k( 137) = ( 0.0338983 0.0338983 0.0000000), wk = 0.0028653 k( 138) = ( 0.0282486 0.0282486 -0.0000000), wk = 0.0028653 k( 139) = ( 0.0225989 0.0225989 -0.0000000), wk = 0.0028653 k( 140) = ( 0.0169491 0.0169491 -0.0000000), wk = 0.0028653 k( 141) = ( 0.0112994 0.0112994 -0.0000000), wk = 0.0028653 k( 142) = ( 0.0056497 0.0056497 -0.0000000), wk = 0.0028653 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028653 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028653 k( 145) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0028653 k( 146) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0028653 k( 147) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0028653 k( 148) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0028653 k( 149) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0028653 k( 150) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0028653 k( 151) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0028653 k( 152) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0028653 k( 153) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0028653 k( 154) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0028653 k( 155) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0028653 k( 156) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0028653 k( 157) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0028653 k( 158) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0028653 k( 159) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0028653 k( 160) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0028653 k( 161) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0028653 k( 162) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0028653 k( 163) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0028653 k( 164) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028653 k( 165) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028653 k( 166) = ( 0.0098039 0.0000000 0.5000000), wk = 0.0028653 k( 167) = ( 0.0196078 0.0000000 0.5000000), wk = 0.0028653 k( 168) = ( 0.0294118 -0.0000000 0.5000000), wk = 0.0028653 k( 169) = ( 0.0392157 -0.0000000 0.5000000), wk = 0.0028653 k( 170) = ( 0.0490196 0.0000000 0.5000000), wk = 0.0028653 k( 171) = ( 0.0588235 0.0000000 0.5000000), wk = 0.0028653 k( 172) = ( 0.0686275 0.0000000 0.5000000), wk = 0.0028653 k( 173) = ( 0.0784314 -0.0000000 0.5000000), wk = 0.0028653 k( 174) = ( 0.0882353 -0.0000000 0.5000000), wk = 0.0028653 k( 175) = ( 0.0980392 0.0000000 0.5000000), wk = 0.0028653 k( 176) = ( 0.1078431 0.0000000 0.5000000), wk = 0.0028653 k( 177) = ( 0.1176471 0.0000000 0.5000000), wk = 0.0028653 k( 178) = ( 0.1274510 0.0000000 0.5000000), wk = 0.0028653 k( 179) = ( 0.1372549 0.0000000 0.5000000), wk = 0.0028653 k( 180) = ( 0.1470588 0.0000000 0.5000000), wk = 0.0028653 k( 181) = ( 0.1568627 -0.0000000 0.5000000), wk = 0.0028653 k( 182) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0028653 k( 183) = ( 0.1764706 -0.0000000 0.5000000), wk = 0.0028653 k( 184) = ( 0.1862745 -0.0000000 0.5000000), wk = 0.0028653 k( 185) = ( 0.1960784 0.0000000 0.5000000), wk = 0.0028653 k( 186) = ( 0.2058823 0.0000000 0.5000000), wk = 0.0028653 k( 187) = ( 0.2156863 0.0000000 0.5000000), wk = 0.0028653 k( 188) = ( 0.2254902 0.0000000 0.5000000), wk = 0.0028653 k( 189) = ( 0.2352941 0.0000000 0.5000000), wk = 0.0028653 k( 190) = ( 0.2450980 0.0000000 0.5000000), wk = 0.0028653 k( 191) = ( 0.2549020 0.0000000 0.5000000), wk = 0.0028653 k( 192) = ( 0.2647059 0.0000000 0.5000000), wk = 0.0028653 k( 193) = ( 0.2745098 0.0000000 0.5000000), wk = 0.0028653 k( 194) = ( 0.2843137 0.0000000 0.5000000), wk = 0.0028653 k( 195) = ( 0.2941177 0.0000000 0.5000000), wk = 0.0028653 k( 196) = ( 0.3039216 -0.0000000 0.5000000), wk = 0.0028653 k( 197) = ( 0.3137255 0.0000000 0.5000000), wk = 0.0028653 k( 198) = ( 0.3235294 -0.0000000 0.5000000), wk = 0.0028653 k( 199) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0028653 k( 200) = ( 0.3431373 -0.0000000 0.5000000), wk = 0.0028653 k( 201) = ( 0.3529412 -0.0000000 0.5000000), wk = 0.0028653 k( 202) = ( 0.3627451 -0.0000000 0.5000000), wk = 0.0028653 k( 203) = ( 0.3725490 -0.0000000 0.5000000), wk = 0.0028653 k( 204) = ( 0.3823529 0.0000000 0.5000000), wk = 0.0028653 k( 205) = ( 0.3921569 0.0000000 0.5000000), wk = 0.0028653 k( 206) = ( 0.4019608 0.0000000 0.5000000), wk = 0.0028653 k( 207) = ( 0.4117647 -0.0000000 0.5000000), wk = 0.0028653 k( 208) = ( 0.4215686 0.0000000 0.5000000), wk = 0.0028653 k( 209) = ( 0.4313726 -0.0000000 0.5000000), wk = 0.0028653 k( 210) = ( 0.4411765 -0.0000000 0.5000000), wk = 0.0028653 k( 211) = ( 0.4509804 0.0000000 0.5000000), wk = 0.0028653 k( 212) = ( 0.4607843 -0.0000000 0.5000000), wk = 0.0028653 k( 213) = ( 0.4705882 0.0000000 0.5000000), wk = 0.0028653 k( 214) = ( 0.4803922 -0.0000000 0.5000000), wk = 0.0028653 k( 215) = ( 0.4901961 0.0000000 0.5000000), wk = 0.0028653 k( 216) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028653 k( 217) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028653 k( 218) = ( 0.4944444 0.0111111 0.5000000), wk = 0.0028653 k( 219) = ( 0.4888889 0.0222222 0.5000000), wk = 0.0028653 k( 220) = ( 0.4833333 0.0333333 0.5000000), wk = 0.0028653 k( 221) = ( 0.4777778 0.0444444 0.5000000), wk = 0.0028653 k( 222) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0028653 k( 223) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0028653 k( 224) = ( 0.4611111 0.0777778 0.5000000), wk = 0.0028653 k( 225) = ( 0.4555556 0.0888889 0.5000000), wk = 0.0028653 k( 226) = ( 0.4500000 0.1000000 0.5000000), wk = 0.0028653 k( 227) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0028653 k( 228) = ( 0.4388889 0.1222222 0.5000000), wk = 0.0028653 k( 229) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0028653 k( 230) = ( 0.4277778 0.1444444 0.5000000), wk = 0.0028653 k( 231) = ( 0.4222222 0.1555556 0.5000000), wk = 0.0028653 k( 232) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0028653 k( 233) = ( 0.4111111 0.1777778 0.5000000), wk = 0.0028653 k( 234) = ( 0.4055556 0.1888889 0.5000000), wk = 0.0028653 k( 235) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0028653 k( 236) = ( 0.3944444 0.2111111 0.5000000), wk = 0.0028653 k( 237) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0028653 k( 238) = ( 0.3833333 0.2333333 0.5000000), wk = 0.0028653 k( 239) = ( 0.3777778 0.2444444 0.5000000), wk = 0.0028653 k( 240) = ( 0.3722222 0.2555556 0.5000000), wk = 0.0028653 k( 241) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0028653 k( 242) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0028653 k( 243) = ( 0.3555556 0.2888889 0.5000000), wk = 0.0028653 k( 244) = ( 0.3500000 0.3000000 0.5000000), wk = 0.0028653 k( 245) = ( 0.3444444 0.3111111 0.5000000), wk = 0.0028653 k( 246) = ( 0.3388889 0.3222222 0.5000000), wk = 0.0028653 k( 247) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028653 k( 248) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028653 k( 249) = ( 0.3276836 0.3276836 0.5000000), wk = 0.0028653 k( 250) = ( 0.3220339 0.3220339 0.5000000), wk = 0.0028653 k( 251) = ( 0.3163842 0.3163842 0.5000000), wk = 0.0028653 k( 252) = ( 0.3107345 0.3107345 0.5000000), wk = 0.0028653 k( 253) = ( 0.3050848 0.3050848 0.5000000), wk = 0.0028653 k( 254) = ( 0.2994350 0.2994350 0.5000000), wk = 0.0028653 k( 255) = ( 0.2937853 0.2937853 0.5000000), wk = 0.0028653 k( 256) = ( 0.2881356 0.2881356 0.5000000), wk = 0.0028653 k( 257) = ( 0.2824859 0.2824859 0.5000000), wk = 0.0028653 k( 258) = ( 0.2768362 0.2768362 0.5000000), wk = 0.0028653 k( 259) = ( 0.2711864 0.2711864 0.5000000), wk = 0.0028653 k( 260) = ( 0.2655367 0.2655367 0.5000000), wk = 0.0028653 k( 261) = ( 0.2598870 0.2598870 0.5000000), wk = 0.0028653 k( 262) = ( 0.2542373 0.2542373 0.5000000), wk = 0.0028653 k( 263) = ( 0.2485876 0.2485876 0.5000000), wk = 0.0028653 k( 264) = ( 0.2429379 0.2429378 0.5000000), wk = 0.0028653 k( 265) = ( 0.2372881 0.2372881 0.5000000), wk = 0.0028653 k( 266) = ( 0.2316384 0.2316384 0.5000000), wk = 0.0028653 k( 267) = ( 0.2259887 0.2259887 0.5000000), wk = 0.0028653 k( 268) = ( 0.2203390 0.2203390 0.5000000), wk = 0.0028653 k( 269) = ( 0.2146893 0.2146893 0.5000000), wk = 0.0028653 k( 270) = ( 0.2090395 0.2090395 0.5000000), wk = 0.0028653 k( 271) = ( 0.2033898 0.2033898 0.5000000), wk = 0.0028653 k( 272) = ( 0.1977401 0.1977401 0.5000000), wk = 0.0028653 k( 273) = ( 0.1920904 0.1920904 0.5000000), wk = 0.0028653 k( 274) = ( 0.1864407 0.1864407 0.5000000), wk = 0.0028653 k( 275) = ( 0.1807910 0.1807910 0.5000000), wk = 0.0028653 k( 276) = ( 0.1751412 0.1751412 0.5000000), wk = 0.0028653 k( 277) = ( 0.1694915 0.1694915 0.5000000), wk = 0.0028653 k( 278) = ( 0.1638418 0.1638418 0.5000000), wk = 0.0028653 k( 279) = ( 0.1581921 0.1581921 0.5000000), wk = 0.0028653 k( 280) = ( 0.1525424 0.1525424 0.5000000), wk = 0.0028653 k( 281) = ( 0.1468927 0.1468927 0.5000000), wk = 0.0028653 k( 282) = ( 0.1412429 0.1412429 0.5000000), wk = 0.0028653 k( 283) = ( 0.1355932 0.1355932 0.5000000), wk = 0.0028653 k( 284) = ( 0.1299435 0.1299435 0.5000000), wk = 0.0028653 k( 285) = ( 0.1242938 0.1242938 0.5000000), wk = 0.0028653 k( 286) = ( 0.1186441 0.1186441 0.5000000), wk = 0.0028653 k( 287) = ( 0.1129943 0.1129944 0.5000000), wk = 0.0028653 k( 288) = ( 0.1073446 0.1073446 0.5000000), wk = 0.0028653 k( 289) = ( 0.1016949 0.1016949 0.5000000), wk = 0.0028653 k( 290) = ( 0.0960452 0.0960452 0.5000000), wk = 0.0028653 k( 291) = ( 0.0903955 0.0903955 0.5000000), wk = 0.0028653 k( 292) = ( 0.0847458 0.0847458 0.5000000), wk = 0.0028653 k( 293) = ( 0.0790961 0.0790961 0.5000000), wk = 0.0028653 k( 294) = ( 0.0734463 0.0734463 0.5000000), wk = 0.0028653 k( 295) = ( 0.0677966 0.0677966 0.5000000), wk = 0.0028653 k( 296) = ( 0.0621469 0.0621469 0.5000000), wk = 0.0028653 k( 297) = ( 0.0564972 0.0564972 0.5000000), wk = 0.0028653 k( 298) = ( 0.0508475 0.0508475 0.5000000), wk = 0.0028653 k( 299) = ( 0.0451977 0.0451977 0.5000000), wk = 0.0028653 k( 300) = ( 0.0395480 0.0395480 0.5000000), wk = 0.0028653 k( 301) = ( 0.0338983 0.0338983 0.5000000), wk = 0.0028653 k( 302) = ( 0.0282486 0.0282486 0.5000000), wk = 0.0028653 k( 303) = ( 0.0225989 0.0225989 0.5000000), wk = 0.0028653 k( 304) = ( 0.0169491 0.0169491 0.5000000), wk = 0.0028653 k( 305) = ( 0.0112994 0.0112994 0.5000000), wk = 0.0028653 k( 306) = ( 0.0056497 0.0056497 0.5000000), wk = 0.0028653 k( 307) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028653 k( 308) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028653 k( 309) = ( 0.5000000 0.0000000 0.4750000), wk = 0.0028653 k( 310) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0028653 k( 311) = ( 0.5000000 0.0000000 0.4250000), wk = 0.0028653 k( 312) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0028653 k( 313) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0028653 k( 314) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0028653 k( 315) = ( 0.5000000 0.0000000 0.3250000), wk = 0.0028653 k( 316) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0028653 k( 317) = ( 0.5000000 0.0000000 0.2750000), wk = 0.0028653 k( 318) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0028653 k( 319) = ( 0.5000000 0.0000000 0.2250000), wk = 0.0028653 k( 320) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0028653 k( 321) = ( 0.5000000 0.0000000 0.1750000), wk = 0.0028653 k( 322) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0028653 k( 323) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0028653 k( 324) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0028653 k( 325) = ( 0.5000000 0.0000000 0.0750000), wk = 0.0028653 k( 326) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0028653 k( 327) = ( 0.5000000 0.0000000 0.0250000), wk = 0.0028653 k( 328) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0028653 k( 329) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0028653 k( 330) = ( 0.3333333 0.3333333 0.0250000), wk = 0.0028653 k( 331) = ( 0.3333333 0.3333333 0.0500000), wk = 0.0028653 k( 332) = ( 0.3333333 0.3333333 0.0750000), wk = 0.0028653 k( 333) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0028653 k( 334) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0028653 k( 335) = ( 0.3333333 0.3333333 0.1500000), wk = 0.0028653 k( 336) = ( 0.3333333 0.3333333 0.1750000), wk = 0.0028653 k( 337) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0028653 k( 338) = ( 0.3333333 0.3333333 0.2250000), wk = 0.0028653 k( 339) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0028653 k( 340) = ( 0.3333333 0.3333333 0.2750000), wk = 0.0028653 k( 341) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0028653 k( 342) = ( 0.3333333 0.3333333 0.3250000), wk = 0.0028653 k( 343) = ( 0.3333333 0.3333333 0.3500000), wk = 0.0028653 k( 344) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0028653 k( 345) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0028653 k( 346) = ( 0.3333333 0.3333333 0.4250000), wk = 0.0028653 k( 347) = ( 0.3333333 0.3333333 0.4500000), wk = 0.0028653 k( 348) = ( 0.3333333 0.3333333 0.4750000), wk = 0.0028653 k( 349) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0028653 Dense grid: 59901 G-vectors FFT dimensions: ( 40, 40, 90) Smooth grid: 26389 G-vectors FFT dimensions: ( 30, 30, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 192, 58) NL pseudopotentials 0.27 Mb ( 96, 186) Each V/rho on FFT grid 0.07 Mb ( 4800) Each G-vector array 0.01 Mb ( 1660) G-vector shells 0.01 Mb ( 782) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.68 Mb ( 192, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.33 Mb ( 186, 2, 58) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./SiO2.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4.3 secs Computing kpt #: 3 total cpu time spent up to now is 5.3 secs Computing kpt #: 4 total cpu time spent up to now is 6.2 secs Computing kpt #: 5 total cpu time spent up to now is 7.2 secs Computing kpt #: 6 total cpu time spent up to now is 8.0 secs Computing kpt #: 7 total cpu time spent up to now is 8.9 secs Computing kpt #: 8 total cpu time spent up to now is 9.7 secs Computing kpt #: 9 total cpu time spent up to now is 10.5 secs Computing kpt #: 10 total cpu time spent up to now is 11.3 secs Computing kpt #: 11 total cpu time spent up to now is 12.1 secs Computing kpt #: 12 total cpu time spent up to now is 12.9 secs Computing kpt #: 13 total cpu time spent up to now is 13.6 secs Computing kpt #: 14 total cpu time spent up to now is 14.4 secs Computing kpt #: 15 total cpu time spent up to now is 15.1 secs Computing kpt #: 16 total cpu time spent up to now is 15.8 secs Computing kpt #: 17 total cpu time spent up to now is 16.4 secs Computing kpt #: 18 total cpu time spent up to now is 17.2 secs Computing kpt #: 19 total cpu time spent up to now is 17.9 secs Computing kpt #: 20 total cpu time spent up to now is 18.6 secs Computing kpt #: 21 total cpu time spent up to now is 19.3 secs Computing kpt #: 22 total cpu time spent up to now is 20.0 secs Computing kpt #: 23 total cpu time spent up to now is 20.7 secs Computing kpt #: 24 total cpu time spent up to now is 21.4 secs Computing kpt #: 25 total cpu time spent up to now is 22.1 secs Computing kpt #: 26 total cpu time spent up to now is 22.8 secs Computing kpt #: 27 total cpu time spent up to now is 23.6 secs Computing kpt #: 28 total cpu time spent up to now is 24.2 secs Computing kpt #: 29 total cpu time spent up to now is 24.9 secs Computing kpt #: 30 total cpu time spent up to now is 25.6 secs Computing kpt #: 31 total cpu time spent up to now is 26.2 secs Computing kpt #: 32 total cpu time spent up to now is 26.9 secs Computing kpt #: 33 total cpu time spent up to now is 27.6 secs Computing kpt #: 34 total cpu time spent up to now is 28.3 secs Computing kpt #: 35 total cpu time spent up to now is 28.9 secs Computing kpt #: 36 total cpu time spent up to now is 29.7 secs Computing kpt #: 37 total cpu time spent up to now is 30.5 secs Computing kpt #: 38 total cpu time spent up to now is 31.3 secs Computing kpt #: 39 total cpu time spent up to now is 32.0 secs Computing kpt #: 40 total cpu time spent up to now is 32.7 secs Computing kpt #: 41 total cpu time spent up to now is 33.4 secs Computing kpt #: 42 total cpu time spent up to now is 34.0 secs Computing kpt #: 43 total cpu time spent up to now is 34.7 secs Computing kpt #: 44 total cpu time spent up to now is 35.3 secs Computing kpt #: 45 total cpu time spent up to now is 36.0 secs Computing kpt #: 46 total cpu time spent up to now is 36.6 secs Computing kpt #: 47 total cpu time spent up to now is 37.3 secs Computing kpt #: 48 total cpu time spent up to now is 37.9 secs Computing kpt #: 49 total cpu time spent up to now is 38.6 secs Computing kpt #: 50 total cpu time spent up to now is 39.3 secs Computing kpt #: 51 total cpu time spent up to now is 40.0 secs Computing kpt #: 52 total cpu time spent up to now is 40.6 secs Computing kpt #: 53 total cpu time spent up to now is 41.3 secs Computing kpt #: 54 total cpu time spent up to now is 41.9 secs Computing kpt #: 55 total cpu time spent up to now is 42.6 secs Computing kpt #: 56 total cpu time spent up to now is 43.2 secs Computing kpt #: 57 total cpu time spent up to now is 43.9 secs Computing kpt #: 58 total cpu time spent up to now is 44.6 secs Computing kpt #: 59 total cpu time spent up to now is 45.2 secs Computing kpt #: 60 total cpu time spent up to now is 46.0 secs Computing kpt #: 61 total cpu time spent up to now is 46.6 secs Computing kpt #: 62 total cpu time spent up to now is 47.3 secs Computing kpt #: 63 total cpu time spent up to now is 48.1 secs Computing kpt #: 64 total cpu time spent up to now is 48.7 secs Computing kpt #: 65 total cpu time spent up to now is 49.4 secs Computing kpt #: 66 total cpu time spent up to now is 50.1 secs Computing kpt #: 67 total cpu time spent up to now is 50.9 secs Computing kpt #: 68 total cpu time spent up to now is 51.6 secs Computing kpt #: 69 total cpu time spent up to now is 52.3 secs Computing kpt #: 70 total cpu time spent up to now is 52.9 secs Computing kpt #: 71 total cpu time spent up to now is 53.6 secs Computing kpt #: 72 total cpu time spent up to now is 54.3 secs Computing kpt #: 73 total cpu time spent up to now is 55.0 secs Computing kpt #: 74 total cpu time spent up to now is 55.6 secs Computing kpt #: 75 total cpu time spent up to now is 56.3 secs Computing kpt #: 76 total cpu time spent up to now is 57.0 secs Computing kpt #: 77 total cpu time spent up to now is 57.7 secs Computing kpt #: 78 total cpu time spent up to now is 58.4 secs Computing kpt #: 79 total cpu time spent up to now is 59.1 secs Computing kpt #: 80 total cpu time spent up to now is 59.9 secs Computing kpt #: 81 total cpu time spent up to now is 60.8 secs Computing kpt #: 82 total cpu time spent up to now is 61.6 secs Computing kpt #: 83 total cpu time spent up to now is 62.2 secs Computing kpt #: 84 total cpu time spent up to now is 62.9 secs Computing kpt #: 85 total cpu time spent up to now is 63.6 secs Computing kpt #: 86 total cpu time spent up to now is 64.2 secs Computing kpt #: 87 total cpu time spent up to now is 64.9 secs Computing kpt #: 88 total cpu time spent up to now is 65.6 secs Computing kpt #: 89 total cpu time spent up to now is 66.2 secs Computing kpt #: 90 total cpu time spent up to now is 66.9 secs Computing kpt #: 91 total cpu time spent up to now is 67.6 secs Computing kpt #: 92 total cpu time spent up to now is 68.2 secs Computing kpt #: 93 total cpu time spent up to now is 68.9 secs Computing kpt #: 94 total cpu time spent up to now is 69.5 secs Computing kpt #: 95 total cpu time spent up to now is 70.2 secs Computing kpt #: 96 total cpu time spent up to now is 70.8 secs Computing kpt #: 97 total cpu time spent up to now is 71.5 secs Computing kpt #: 98 total cpu time spent up to now is 72.2 secs Computing kpt #: 99 total cpu time spent up to now is 72.9 secs Computing kpt #: 100 total cpu time spent up to now is 73.6 secs Computing kpt #: 101 total cpu time spent up to now is 74.2 secs Computing kpt #: 102 total cpu time spent up to now is 74.9 secs Computing kpt #: 103 total cpu time spent up to now is 75.6 secs Computing kpt #: 104 total cpu time spent up to now is 76.2 secs Computing kpt #: 105 total cpu time spent up to now is 76.8 secs Computing kpt #: 106 total cpu time spent up to now is 77.5 secs Computing kpt #: 107 total cpu time spent up to now is 78.2 secs Computing kpt #: 108 total cpu time spent up to now is 78.9 secs Computing kpt #: 109 total cpu time spent up to now is 79.6 secs Computing kpt #: 110 total cpu time spent up to now is 80.2 secs Computing kpt #: 111 total cpu time spent up to now is 80.9 secs Computing kpt #: 112 total cpu time spent up to now is 81.6 secs Computing kpt #: 113 total cpu time spent up to now is 82.2 secs Computing kpt #: 114 total cpu time spent up to now is 82.8 secs Computing kpt #: 115 total cpu time spent up to now is 83.5 secs Computing kpt #: 116 total cpu time spent up to now is 84.1 secs Computing kpt #: 117 total cpu time spent up to now is 84.8 secs Computing kpt #: 118 total cpu time spent up to now is 85.5 secs Computing kpt #: 119 total cpu time spent up to now is 86.2 secs Computing kpt #: 120 total cpu time spent up to now is 86.8 secs Computing kpt #: 121 total cpu time spent up to now is 87.5 secs Computing kpt #: 122 total cpu time spent up to now is 88.2 secs Computing kpt #: 123 total cpu time spent up to now is 88.8 secs Computing kpt #: 124 total cpu time spent up to now is 89.5 secs Computing kpt #: 125 total cpu time spent up to now is 90.2 secs Computing kpt #: 126 total cpu time spent up to now is 90.9 secs Computing kpt #: 127 total cpu time spent up to now is 91.6 secs Computing kpt #: 128 total cpu time spent up to now is 92.3 secs Computing kpt #: 129 total cpu time spent up to now is 93.0 secs Computing kpt #: 130 total cpu time spent up to now is 93.7 secs Computing kpt #: 131 total cpu time spent up to now is 94.5 secs Computing kpt #: 132 total cpu time spent up to now is 95.5 secs Computing kpt #: 133 total cpu time spent up to now is 96.3 secs Computing kpt #: 134 total cpu time spent up to now is 97.0 secs Computing kpt #: 135 total cpu time spent up to now is 97.8 secs Computing kpt #: 136 total cpu time spent up to now is 98.5 secs Computing kpt #: 137 total cpu time spent up to now is 99.4 secs Computing kpt #: 138 total cpu time spent up to now is 100.2 secs Computing kpt #: 139 total cpu time spent up to now is 101.0 secs Computing kpt #: 140 total cpu time spent up to now is 101.9 secs Computing kpt #: 141 total cpu time spent up to now is 103.8 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 105.6 secs Computing kpt #: 143 total cpu time spent up to now is 106.2 secs Computing kpt #: 144 total cpu time spent up to now is 106.9 secs Computing kpt #: 145 total cpu time spent up to now is 107.7 secs Computing kpt #: 146 total cpu time spent up to now is 108.4 secs Computing kpt #: 147 total cpu time spent up to now is 109.1 secs Computing kpt #: 148 total cpu time spent up to now is 109.8 secs Computing kpt #: 149 total cpu time spent up to now is 110.4 secs Computing kpt #: 150 total cpu time spent up to now is 111.0 secs Computing kpt #: 151 total cpu time spent up to now is 111.7 secs Computing kpt #: 152 total cpu time spent up to now is 112.3 secs Computing kpt #: 153 total cpu time spent up to now is 112.9 secs Computing kpt #: 154 total cpu time spent up to now is 113.5 secs Computing kpt #: 155 total cpu time spent up to now is 114.1 secs Computing kpt #: 156 total cpu time spent up to now is 114.7 secs Computing kpt #: 157 total cpu time spent up to now is 115.3 secs Computing kpt #: 158 total cpu time spent up to now is 115.9 secs Computing kpt #: 159 total cpu time spent up to now is 116.5 secs Computing kpt #: 160 total cpu time spent up to now is 117.1 secs Computing kpt #: 161 total cpu time spent up to now is 117.7 secs Computing kpt #: 162 total cpu time spent up to now is 118.3 secs Computing kpt #: 163 total cpu time spent up to now is 118.9 secs Computing kpt #: 164 total cpu time spent up to now is 119.5 secs Computing kpt #: 165 total cpu time spent up to now is 120.0 secs Computing kpt #: 166 total cpu time spent up to now is 120.6 secs Computing kpt #: 167 total cpu time spent up to now is 121.1 secs Computing kpt #: 168 total cpu time spent up to now is 121.7 secs Computing kpt #: 169 total cpu time spent up to now is 122.3 secs Computing kpt #: 170 total cpu time spent up to now is 122.9 secs Computing kpt #: 171 total cpu time spent up to now is 123.5 secs Computing kpt #: 172 total cpu time spent up to now is 124.1 secs Computing kpt #: 173 total cpu time spent up to now is 124.7 secs Computing kpt #: 174 total cpu time spent up to now is 125.3 secs Computing kpt #: 175 total cpu time spent up to now is 125.9 secs Computing kpt #: 176 total cpu time spent up to now is 126.5 secs Computing kpt #: 177 total cpu time spent up to now is 127.1 secs Computing kpt #: 178 total cpu time spent up to now is 127.7 secs Computing kpt #: 179 total cpu time spent up to now is 128.3 secs Computing kpt #: 180 total cpu time spent up to now is 128.9 secs Computing kpt #: 181 total cpu time spent up to now is 129.6 secs Computing kpt #: 182 total cpu time spent up to now is 130.2 secs Computing kpt #: 183 total cpu time spent up to now is 130.8 secs Computing kpt #: 184 total cpu time spent up to now is 131.4 secs Computing kpt #: 185 total cpu time spent up to now is 132.0 secs Computing kpt #: 186 total cpu time spent up to now is 132.6 secs Computing kpt #: 187 total cpu time spent up to now is 133.2 secs Computing kpt #: 188 total cpu time spent up to now is 133.8 secs Computing kpt #: 189 total cpu time spent up to now is 134.4 secs Computing kpt #: 190 total cpu time spent up to now is 135.1 secs Computing kpt #: 191 total cpu time spent up to now is 135.7 secs Computing kpt #: 192 total cpu time spent up to now is 136.4 secs Computing kpt #: 193 total cpu time spent up to now is 137.0 secs Computing kpt #: 194 total cpu time spent up to now is 137.6 secs Computing kpt #: 195 total cpu time spent up to now is 138.3 secs Computing kpt #: 196 total cpu time spent up to now is 138.9 secs Computing kpt #: 197 total cpu time spent up to now is 139.6 secs Computing kpt #: 198 total cpu time spent up to now is 140.2 secs Computing kpt #: 199 total cpu time spent up to now is 140.8 secs Computing kpt #: 200 total cpu time spent up to now is 141.5 secs Computing kpt #: 201 total cpu time spent up to now is 142.1 secs Computing kpt #: 202 total cpu time spent up to now is 142.8 secs Computing kpt #: 203 total cpu time spent up to now is 143.5 secs Computing kpt #: 204 total cpu time spent up to now is 144.2 secs Computing kpt #: 205 total cpu time spent up to now is 144.9 secs Computing kpt #: 206 total cpu time spent up to now is 145.6 secs Computing kpt #: 207 total cpu time spent up to now is 146.3 secs Computing kpt #: 208 total cpu time spent up to now is 147.0 secs Computing kpt #: 209 total cpu time spent up to now is 147.7 secs Computing kpt #: 210 total cpu time spent up to now is 148.5 secs Computing kpt #: 211 total cpu time spent up to now is 149.2 secs Computing kpt #: 212 total cpu time spent up to now is 150.0 secs Computing kpt #: 213 total cpu time spent up to now is 150.8 secs Computing kpt #: 214 total cpu time spent up to now is 151.6 secs Computing kpt #: 215 total cpu time spent up to now is 152.4 secs Computing kpt #: 216 total cpu time spent up to now is 153.3 secs Computing kpt #: 217 total cpu time spent up to now is 154.2 secs Computing kpt #: 218 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 156.0 secs Computing kpt #: 219 total cpu time spent up to now is 156.9 secs Computing kpt #: 220 total cpu time spent up to now is 157.6 secs Computing kpt #: 221 total cpu time spent up to now is 158.4 secs Computing kpt #: 222 total cpu time spent up to now is 159.2 secs Computing kpt #: 223 total cpu time spent up to now is 159.9 secs Computing kpt #: 224 total cpu time spent up to now is 160.7 secs Computing kpt #: 225 total cpu time spent up to now is 161.4 secs Computing kpt #: 226 total cpu time spent up to now is 162.1 secs Computing kpt #: 227 total cpu time spent up to now is 163.0 secs Computing kpt #: 228 total cpu time spent up to now is 163.7 secs Computing kpt #: 229 total cpu time spent up to now is 164.4 secs Computing kpt #: 230 total cpu time spent up to now is 165.1 secs Computing kpt #: 231 total cpu time spent up to now is 165.8 secs Computing kpt #: 232 total cpu time spent up to now is 166.5 secs Computing kpt #: 233 total cpu time spent up to now is 167.2 secs Computing kpt #: 234 total cpu time spent up to now is 167.9 secs Computing kpt #: 235 total cpu time spent up to now is 168.6 secs Computing kpt #: 236 total cpu time spent up to now is 169.3 secs Computing kpt #: 237 total cpu time spent up to now is 170.0 secs Computing kpt #: 238 total cpu time spent up to now is 170.7 secs Computing kpt #: 239 total cpu time spent up to now is 171.5 secs Computing kpt #: 240 total cpu time spent up to now is 172.1 secs Computing kpt #: 241 total cpu time spent up to now is 172.8 secs Computing kpt #: 242 total cpu time spent up to now is 173.5 secs Computing kpt #: 243 total cpu time spent up to now is 174.3 secs Computing kpt #: 244 total cpu time spent up to now is 175.0 secs Computing kpt #: 245 total cpu time spent up to now is 175.7 secs Computing kpt #: 246 total cpu time spent up to now is 176.5 secs Computing kpt #: 247 total cpu time spent up to now is 177.4 secs Computing kpt #: 248 total cpu time spent up to now is 178.2 secs Computing kpt #: 249 total cpu time spent up to now is 179.0 secs Computing kpt #: 250 total cpu time spent up to now is 179.7 secs Computing kpt #: 251 total cpu time spent up to now is 180.4 secs Computing kpt #: 252 total cpu time spent up to now is 181.1 secs Computing kpt #: 253 total cpu time spent up to now is 181.9 secs Computing kpt #: 254 total cpu time spent up to now is 182.5 secs Computing kpt #: 255 total cpu time spent up to now is 183.2 secs Computing kpt #: 256 total cpu time spent up to now is 183.9 secs Computing kpt #: 257 total cpu time spent up to now is 184.6 secs Computing kpt #: 258 total cpu time spent up to now is 185.3 secs Computing kpt #: 259 total cpu time spent up to now is 186.0 secs Computing kpt #: 260 total cpu time spent up to now is 186.7 secs Computing kpt #: 261 total cpu time spent up to now is 187.4 secs Computing kpt #: 262 total cpu time spent up to now is 188.0 secs Computing kpt #: 263 total cpu time spent up to now is 188.7 secs Computing kpt #: 264 total cpu time spent up to now is 189.4 secs Computing kpt #: 265 total cpu time spent up to now is 190.1 secs Computing kpt #: 266 total cpu time spent up to now is 190.7 secs Computing kpt #: 267 total cpu time spent up to now is 191.4 secs Computing kpt #: 268 total cpu time spent up to now is 192.0 secs Computing kpt #: 269 total cpu time spent up to now is 192.6 secs Computing kpt #: 270 total cpu time spent up to now is 193.3 secs Computing kpt #: 271 total cpu time spent up to now is 194.0 secs Computing kpt #: 272 total cpu time spent up to now is 194.6 secs Computing kpt #: 273 total cpu time spent up to now is 195.2 secs Computing kpt #: 274 total cpu time spent up to now is 195.9 secs Computing kpt #: 275 total cpu time spent up to now is 196.5 secs Computing kpt #: 276 total cpu time spent up to now is 197.2 secs Computing kpt #: 277 total cpu time spent up to now is 197.8 secs Computing kpt #: 278 total cpu time spent up to now is 198.4 secs Computing kpt #: 279 total cpu time spent up to now is 199.0 secs Computing kpt #: 280 total cpu time spent up to now is 199.7 secs Computing kpt #: 281 total cpu time spent up to now is 200.4 secs Computing kpt #: 282 total cpu time spent up to now is 201.0 secs Computing kpt #: 283 total cpu time spent up to now is 201.6 secs Computing kpt #: 284 total cpu time spent up to now is 202.2 secs Computing kpt #: 285 total cpu time spent up to now is 202.8 secs Computing kpt #: 286 total cpu time spent up to now is 203.4 secs Computing kpt #: 287 total cpu time spent up to now is 204.0 secs Computing kpt #: 288 total cpu time spent up to now is 204.6 secs Computing kpt #: 289 total cpu time spent up to now is 205.3 secs Computing kpt #: 290 total cpu time spent up to now is 205.9 secs Computing kpt #: 291 total cpu time spent up to now is 206.5 secs Computing kpt #: 292 total cpu time spent up to now is 207.0 secs Computing kpt #: 293 total cpu time spent up to now is 207.6 secs Computing kpt #: 294 total cpu time spent up to now is 208.2 secs Computing kpt #: 295 total cpu time spent up to now is 208.8 secs Computing kpt #: 296 total cpu time spent up to now is 209.4 secs Computing kpt #: 297 total cpu time spent up to now is 210.0 secs Computing kpt #: 298 total cpu time spent up to now is 210.5 secs Computing kpt #: 299 total cpu time spent up to now is 211.1 secs Computing kpt #: 300 total cpu time spent up to now is 211.7 secs Computing kpt #: 301 total cpu time spent up to now is 212.3 secs Computing kpt #: 302 total cpu time spent up to now is 212.9 secs Computing kpt #: 303 total cpu time spent up to now is 213.5 secs Computing kpt #: 304 total cpu time spent up to now is 214.1 secs Computing kpt #: 305 total cpu time spent up to now is 214.7 secs Computing kpt #: 306 total cpu time spent up to now is 215.3 secs Computing kpt #: 307 total cpu time spent up to now is 215.9 secs Computing kpt #: 308 total cpu time spent up to now is 216.8 secs Computing kpt #: 309 total cpu time spent up to now is 217.7 secs Computing kpt #: 310 total cpu time spent up to now is 218.4 secs Computing kpt #: 311 total cpu time spent up to now is 219.5 secs Computing kpt #: 312 total cpu time spent up to now is 220.2 secs Computing kpt #: 313 total cpu time spent up to now is 221.0 secs Computing kpt #: 314 total cpu time spent up to now is 221.7 secs Computing kpt #: 315 total cpu time spent up to now is 222.5 secs Computing kpt #: 316 total cpu time spent up to now is 223.1 secs Computing kpt #: 317 total cpu time spent up to now is 223.8 secs Computing kpt #: 318 total cpu time spent up to now is 224.5 secs Computing kpt #: 319 total cpu time spent up to now is 225.2 secs Computing kpt #: 320 total cpu time spent up to now is 225.9 secs Computing kpt #: 321 total cpu time spent up to now is 226.6 secs Computing kpt #: 322 total cpu time spent up to now is 227.3 secs Computing kpt #: 323 total cpu time spent up to now is 227.9 secs Computing kpt #: 324 total cpu time spent up to now is 228.7 secs Computing kpt #: 325 total cpu time spent up to now is 229.3 secs Computing kpt #: 326 total cpu time spent up to now is 230.0 secs Computing kpt #: 327 total cpu time spent up to now is 233.5 secs Computing kpt #: 328 total cpu time spent up to now is 234.1 secs Computing kpt #: 329 total cpu time spent up to now is 234.8 secs Computing kpt #: 330 total cpu time spent up to now is 235.5 secs Computing kpt #: 331 total cpu time spent up to now is 236.2 secs Computing kpt #: 332 total cpu time spent up to now is 236.8 secs Computing kpt #: 333 total cpu time spent up to now is 237.5 secs Computing kpt #: 334 total cpu time spent up to now is 238.2 secs Computing kpt #: 335 total cpu time spent up to now is 238.9 secs Computing kpt #: 336 total cpu time spent up to now is 239.6 secs Computing kpt #: 337 total cpu time spent up to now is 240.3 secs Computing kpt #: 338 total cpu time spent up to now is 241.1 secs Computing kpt #: 339 total cpu time spent up to now is 241.8 secs Computing kpt #: 340 total cpu time spent up to now is 242.5 secs Computing kpt #: 341 total cpu time spent up to now is 243.2 secs Computing kpt #: 342 total cpu time spent up to now is 243.9 secs Computing kpt #: 343 total cpu time spent up to now is 244.6 secs Computing kpt #: 344 total cpu time spent up to now is 245.3 secs Computing kpt #: 345 total cpu time spent up to now is 246.1 secs Computing kpt #: 346 total cpu time spent up to now is 246.8 secs Computing kpt #: 347 total cpu time spent up to now is 247.5 secs Computing kpt #: 348 total cpu time spent up to now is 248.3 secs Computing kpt #: 349 total cpu time spent up to now is 249.1 secs ethr = 2.08E-08, avg # of iterations = 19.9 total cpu time spent up to now is 249.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3327 PWs) bands (ev): -13.5069 -13.5069 -12.4188 -12.4188 -12.4178 -12.4178 -10.1643 -10.1643 -10.1623 -10.1623 -9.3057 -9.3057 0.9033 0.9033 1.0137 1.0137 1.0145 1.0145 1.4307 1.4307 1.4339 1.4339 2.4896 2.4896 2.4901 2.4901 2.5390 2.5390 3.5038 3.5038 3.5097 3.5097 3.7146 3.7146 4.6200 4.6200 5.3813 5.3813 5.3828 5.3828 5.7094 5.7094 5.8235 5.8235 5.8314 5.8314 5.8840 5.8840 7.5422 7.5422 9.9754 9.9754 9.9781 9.9781 12.5227 12.5227 14.8863 14.8874 k = 0.0098 0.0057-0.0000 ( 3337 PWs) bands (ev): -13.5062 -13.5062 -12.4182 -12.4182 -12.4173 -12.4173 -10.1647 -10.1647 -10.1627 -10.1626 -9.3066 -9.3066 0.8926 0.8928 1.0096 1.0098 1.0167 1.0173 1.4311 1.4313 1.4375 1.4377 2.4845 2.4887 2.4914 2.4916 2.5381 2.5423 3.5041 3.5042 3.5100 3.5112 3.7164 3.7165 4.6208 4.6214 5.3789 5.3795 5.3815 5.3827 5.7050 5.7114 5.8204 5.8230 5.8319 5.8342 5.8857 5.8858 7.5493 7.5494 9.9749 9.9750 9.9777 9.9779 12.5245 12.5250 14.8837 14.8871 k = 0.0196 0.0113-0.0000 ( 3337 PWs) bands (ev): -13.5040 -13.5039 -12.4167 -12.4166 -12.4156 -12.4155 -10.1659 -10.1658 -10.1637 -10.1634 -9.3094 -9.3093 0.8643 0.8645 0.9970 0.9975 1.0222 1.0230 1.4292 1.4296 1.4504 1.4510 2.4758 2.4827 2.4955 2.4958 2.5396 2.5464 3.5026 3.5032 3.5144 3.5164 3.7221 3.7222 4.6236 4.6249 5.3714 5.3727 5.3788 5.3822 5.6992 5.7109 5.8113 5.8134 5.8390 5.8460 5.8905 5.8908 7.5703 7.5705 9.9726 9.9731 9.9775 9.9778 12.5305 12.5315 14.8720 14.8737 k = 0.0294 0.0170-0.0000 ( 3343 PWs) bands (ev): -13.5002 -13.5002 -12.4142 -12.4140 -12.4127 -12.4125 -10.1682 -10.1679 -10.1650 -10.1646 -9.3139 -9.3138 0.8238 0.8240 0.9778 0.9784 1.0261 1.0271 1.4255 1.4261 1.4697 1.4706 2.4653 2.4737 2.5018 2.5025 2.5421 2.5499 3.4982 3.4994 3.5229 3.5255 3.7323 3.7324 4.6283 4.6302 5.3580 5.3599 5.3757 5.3810 5.6931 5.7084 5.7964 5.7992 5.8540 5.8636 5.8979 5.8983 7.6043 7.6045 9.9684 9.9693 9.9779 9.9784 12.5407 12.5421 14.8543 14.8569 k = 0.0392 0.0226-0.0000 ( 3335 PWs) bands (ev): -13.4950 -13.4950 -12.4108 -12.4105 -12.4085 -12.4082 -10.1716 -10.1711 -10.1667 -10.1661 -9.3202 -9.3201 0.7747 0.7751 0.9532 0.9540 1.0264 1.0274 1.4200 1.4207 1.4921 1.4932 2.4548 2.4639 2.5095 2.5113 2.5453 2.5527 3.4911 3.4928 3.5343 3.5376 3.7479 3.7480 4.6346 4.6370 5.3377 5.3399 5.3723 5.3791 5.6871 5.7043 5.7798 5.7839 5.8745 5.8853 5.9076 5.9082 7.6499 7.6502 9.9624 9.9638 9.9788 9.9795 12.5549 12.5568 14.8305 14.8339 k = 0.0490 0.0283-0.0000 ( 3339 PWs) bands (ev): -13.4883 -13.4883 -12.4064 -12.4061 -12.4030 -12.4027 -10.1760 -10.1754 -10.1686 -10.1680 -9.3283 -9.3281 0.7195 0.7200 0.9244 0.9253 1.0224 1.0235 1.4124 1.4133 1.5150 1.5162 2.4451 2.4546 2.5165 2.5206 2.5512 2.5565 3.4810 3.4831 3.5474 3.5514 3.7694 3.7698 4.6420 4.6450 5.3099 5.3121 5.3688 5.3769 5.6802 5.6980 5.7655 5.7712 5.8989 5.9093 5.9202 5.9215 7.7056 7.7059 9.9549 9.9566 9.9801 9.9810 12.5731 12.5754 14.8011 14.8053 k = 0.0588 0.0340-0.0000 ( 3335 PWs) bands (ev): -13.4801 -13.4801 -12.4011 -12.4007 -12.3963 -12.3959 -10.1814 -10.1807 -10.1710 -10.1702 -9.3382 -9.3380 0.6597 0.6603 0.8921 0.8932 1.0142 1.0152 1.4026 1.4036 1.5363 1.5376 2.4368 2.4465 2.5203 2.5276 2.5625 2.5647 3.4679 3.4703 3.5613 3.5662 3.7975 3.7980 4.6500 4.6534 5.2741 5.2761 5.3653 5.3745 5.6715 5.6885 5.7570 5.7641 5.9235 5.9293 5.9384 5.9445 7.7696 7.7701 9.9459 9.9479 9.9820 9.9831 12.5951 12.5979 14.7671 14.7719 k = 0.0686 0.0396-0.0000 ( 3331 PWs) bands (ev): -13.4705 -13.4704 -12.3949 -12.3944 -12.3884 -12.3879 -10.1879 -10.1870 -10.1737 -10.1728 -9.3498 -9.3496 0.5964 0.5971 0.8569 0.8580 1.0017 1.0027 1.3905 1.3915 1.5545 1.5558 2.4301 2.4395 2.5217 2.5310 2.5791 2.5798 3.4519 3.4546 3.5753 3.5810 3.8319 3.8325 4.6579 4.6616 5.2310 5.2327 5.3620 5.3722 5.6606 5.6761 5.7557 5.7636 5.9428 5.9460 5.9672 5.9757 7.8406 7.8411 9.9355 9.9378 9.9844 9.9857 12.6209 12.6240 14.7291 14.7346 k = 0.0784 0.0453-0.0000 ( 3331 PWs) bands (ev): -13.4594 -13.4593 -12.3878 -12.3872 -12.3793 -12.3787 -10.1954 -10.1944 -10.1768 -10.1757 -9.3632 -9.3629 0.5306 0.5313 0.8191 0.8202 0.9853 0.9863 1.3760 1.3771 1.5687 1.5700 2.4242 2.4330 2.5237 2.5335 2.5993 2.6009 3.4335 3.4363 3.5889 3.5953 3.8723 3.8730 4.6644 4.6683 5.1823 5.1835 5.3590 5.3700 5.6485 5.6627 5.7605 5.7685 5.9608 5.9636 6.0021 6.0108 7.9170 7.9176 9.9239 9.9265 9.9875 9.9889 12.6502 12.6537 14.6881 14.6942 k = 0.0882 0.0509-0.0000 ( 3323 PWs) bands (ev): -13.4468 -13.4467 -12.3798 -12.3791 -12.3689 -12.3683 -10.2039 -10.2028 -10.1803 -10.1791 -9.3782 -9.3778 0.4628 0.4636 0.7788 0.7799 0.9652 0.9661 1.3592 1.3604 1.5785 1.5798 2.4181 2.4258 2.5289 2.5382 2.6229 2.6252 3.4131 3.4159 3.6018 3.6087 3.9180 3.9188 4.6680 4.6720 5.1303 5.1311 5.3564 5.3682 5.6365 5.6499 5.7696 5.7775 5.9798 5.9827 6.0405 6.0487 7.9978 7.9984 9.9112 9.9141 9.9913 9.9929 12.6828 12.6868 14.6451 14.6516 k = 0.0980 0.0566-0.0000 ( 3323 PWs) bands (ev): -13.4328 -13.4327 -12.3708 -12.3701 -12.3574 -12.3567 -10.2135 -10.2123 -10.1841 -10.1828 -9.3949 -9.3945 0.3936 0.3944 0.7363 0.7374 0.9416 0.9426 1.3404 1.3416 1.5837 1.5850 2.4108 2.4170 2.5390 2.5472 2.6490 2.6520 3.3912 3.3939 3.6137 3.6212 3.9682 3.9690 4.6666 4.6703 5.0783 5.0787 5.3546 5.3670 5.6255 5.6383 5.7819 5.7894 6.0001 6.0032 6.0813 6.0889 8.0818 8.0824 9.8976 9.9006 9.9961 9.9978 12.7186 12.7230 14.6010 14.6079 k = 0.1078 0.0623-0.0000 ( 3315 PWs) bands (ev): -13.4174 -13.4173 -12.3611 -12.3603 -12.3446 -12.3439 -10.2242 -10.2228 -10.1884 -10.1869 -9.4132 -9.4127 0.3233 0.3242 0.6917 0.6929 0.9149 0.9159 1.3198 1.3210 1.5845 1.5858 2.4016 2.4063 2.5547 2.5616 2.6768 2.6803 3.3682 3.3708 3.6246 3.6326 4.0221 4.0230 4.6571 4.6603 5.0299 5.0307 5.3536 5.3664 5.6157 5.6282 5.7964 5.8034 6.0217 6.0251 6.1241 6.1311 8.1681 8.1688 9.8831 9.8863 10.0019 10.0037 12.7574 12.7622 14.5565 14.5638 k = 0.1176 0.0679-0.0000 ( 3317 PWs) bands (ev): -13.4005 -13.4004 -12.3504 -12.3496 -12.3307 -12.3299 -10.2359 -10.2345 -10.1929 -10.1914 -9.4331 -9.4326 0.2523 0.2532 0.6452 0.6463 0.8854 0.8865 1.2978 1.2991 1.5813 1.5826 2.3904 2.3937 2.5756 2.5815 2.7055 2.7096 3.3445 3.3469 3.6346 3.6430 4.0787 4.0797 4.6363 4.6385 4.9895 4.9912 5.3537 5.3669 5.6073 5.6196 5.8125 5.8191 6.0446 6.0483 6.1683 6.1746 8.2561 8.2568 9.8679 9.8713 10.0087 10.0107 12.7989 12.8041 14.5127 14.5202 k = 0.1275 0.0736-0.0000 ( 3315 PWs) bands (ev): -13.3823 -13.3822 -12.3390 -12.3380 -12.3156 -12.3148 -10.2487 -10.2473 -10.1979 -10.1962 -9.4545 -9.4540 0.1809 0.1818 0.5969 0.5981 0.8535 0.8547 1.2747 1.2760 1.5747 1.5759 2.3775 2.3798 2.6013 2.6063 2.7344 2.7392 3.3207 3.3229 3.6437 3.6525 4.1371 4.1384 4.6021 4.6031 4.9599 4.9627 5.3552 5.3685 5.6003 5.6123 5.8299 5.8361 6.0686 6.0726 6.2135 6.2192 8.3450 8.3457 9.8521 9.8556 10.0168 10.0189 12.8429 12.8485 14.4702 14.4780 k = 0.1373 0.0792-0.0000 ( 3307 PWs) bands (ev): -13.3627 -13.3626 -12.3267 -12.3257 -12.2994 -12.2985 -10.2627 -10.2611 -10.2032 -10.2014 -9.4774 -9.4768 0.1091 0.1100 0.5472 0.5483 0.8196 0.8209 1.2509 1.2521 1.5651 1.5663 2.3634 2.3650 2.6311 2.6354 2.7628 2.7681 3.2972 3.2991 3.6520 3.6612 4.1957 4.1975 4.5556 4.5563 4.9412 4.9448 5.3583 5.3716 5.5946 5.6064 5.8483 5.8544 6.0937 6.0980 6.2592 6.2644 8.4342 8.4350 9.8359 9.8395 10.0263 10.0284 12.8892 12.8952 14.4299 14.4379 k = 0.1471 0.0849-0.0000 ( 3315 PWs) bands (ev): -13.3418 -13.3416 -12.3137 -12.3127 -12.2820 -12.2810 -10.2778 -10.2762 -10.2088 -10.2070 -9.5017 -9.5011 0.0372 0.0382 0.4960 0.4971 0.7840 0.7854 1.2265 1.2277 1.5530 1.5543 2.3484 2.3494 2.6643 2.6680 2.7897 2.7957 3.2745 3.2761 3.6599 3.6693 4.2509 4.2540 4.5018 4.5043 4.9306 4.9346 5.3634 5.3763 5.5902 5.6016 5.8675 5.8735 6.1198 6.1245 6.3049 6.3096 8.5234 8.5241 9.8193 9.8230 10.0371 10.0393 12.9374 12.9438 14.3923 14.4006 k = 0.1569 0.0906-0.0000 ( 3313 PWs) bands (ev): -13.3195 -13.3193 -12.3000 -12.2989 -12.2635 -12.2625 -10.2940 -10.2924 -10.2148 -10.2129 -9.5274 -9.5268 -0.0346 -0.0337 0.4438 0.4449 0.7471 0.7486 1.2020 1.2031 1.5390 1.5404 2.3327 2.3334 2.7003 2.7035 2.8143 2.8210 3.2530 3.2545 3.6674 3.6771 4.2914 4.2968 4.4555 4.4608 4.9248 4.9291 5.3706 5.3831 5.5871 5.5981 5.8873 5.8934 6.1468 6.1518 6.3502 6.3545 8.6119 8.6127 9.8025 9.8063 10.0493 10.0516 12.9873 12.9941 14.3583 14.3667 k = 0.1667 0.0962-0.0000 ( 3305 PWs) bands (ev): -13.2959 -13.2957 -12.2855 -12.2844 -12.2439 -12.2428 -10.3114 -10.3097 -10.2211 -10.2191 -9.5545 -9.5538 -0.1064 -0.1055 0.3908 0.3918 0.7091 0.7108 1.1774 1.1785 1.5235 1.5250 2.3165 2.3171 2.7384 2.7412 2.8357 2.8432 3.2332 3.2349 3.6750 3.6848 4.2863 4.2921 4.4530 4.4590 4.9213 4.9255 5.3800 5.3919 5.5853 5.5959 5.9077 5.9140 6.1747 6.1800 6.3947 6.3987 8.6995 8.7003 9.7857 9.7895 10.0632 10.0655 13.0386 13.0458 14.3283 14.3369 k = 0.1765 0.1019-0.0000 ( 3303 PWs) bands (ev): -13.2710 -13.2709 -12.2704 -12.2692 -12.2232 -12.2221 -10.3300 -10.3282 -10.2278 -10.2257 -9.5828 -9.5821 -0.1779 -0.1770 0.3373 0.3383 0.6705 0.6723 1.1529 1.1540 1.5070 1.5087 2.2999 2.3006 2.7780 2.7803 2.8533 2.8615 3.2157 3.2181 3.6828 3.6927 4.2348 4.2387 4.4969 4.5011 4.9182 4.9222 5.3917 5.4028 5.5847 5.5948 5.9285 5.9350 6.2034 6.2089 6.4381 6.4417 8.7858 8.7866 9.7688 9.7727 10.0785 10.0809 13.0910 13.0985 14.3030 14.3117 k = 0.1863 0.1075-0.0000 ( 3311 PWs) bands (ev): -13.2449 -13.2448 -12.2547 -12.2534 -12.2015 -12.2002 -10.3498 -10.3480 -10.2348 -10.2326 -9.6122 -9.6115 -0.2492 -0.2482 0.2836 0.2846 0.6314 0.6333 1.1286 1.1297 1.4897 1.4916 2.2831 2.2838 2.8177 2.8192 2.8673 2.8759 3.2012 3.2044 3.6913 3.7012 4.1670 4.1697 4.5549 4.5581 4.9145 4.9181 5.4056 5.4159 5.5856 5.5951 5.9497 5.9563 6.2328 6.2385 6.4800 6.4833 8.8704 8.8712 9.7521 9.7559 10.0954 10.0978 13.1441 13.1520 14.2829 14.2917 k = 0.1961 0.1132-0.0000 ( 3319 PWs) bands (ev): -13.2176 -13.2174 -12.2384 -12.2370 -12.1786 -12.1774 -10.3708 -10.3689 -10.2422 -10.2399 -9.6428 -9.6420 -0.3200 -0.3191 0.2301 0.2310 0.5920 0.5940 1.1048 1.1058 1.4721 1.4741 2.2661 2.2668 2.8508 2.8527 2.8834 2.8903 3.1900 3.1943 3.7007 3.7105 4.0945 4.0966 4.6164 4.6189 4.9095 4.9126 5.4216 5.4309 5.5879 5.5967 5.9710 5.9779 6.2629 6.2688 6.5201 6.5231 8.9532 8.9540 9.7355 9.7393 10.1139 10.1163 13.1977 13.2058 14.2685 14.2774 k = 0.2059 0.1189-0.0000 ( 3323 PWs) bands (ev): -13.1891 -13.1889 -12.2215 -12.2201 -12.1547 -12.1535 -10.3929 -10.3911 -10.2499 -10.2476 -9.6744 -9.6736 -0.3904 -0.3895 0.1770 0.1779 0.5526 0.5547 1.0813 1.0823 1.4544 1.4566 2.2489 2.2497 2.8613 2.8682 2.9153 2.9181 3.1825 3.1878 3.7113 3.7210 4.0209 4.0228 4.6781 4.6803 4.9029 4.9057 5.4393 5.4477 5.5918 5.5999 5.9924 5.9995 6.2935 6.2997 6.5582 6.5610 9.0338 9.0347 9.7193 9.7230 10.1339 10.1363 13.2513 13.2596 14.2602 14.2691 k = 0.2157 0.1245-0.0000 ( 3323 PWs) bands (ev): -13.1595 -13.1593 -12.2041 -12.2026 -12.1299 -12.1285 -10.4163 -10.4145 -10.2580 -10.2556 -9.7069 -9.7061 -0.4603 -0.4594 0.1248 0.1256 0.5132 0.5153 1.0584 1.0593 1.4368 1.4392 2.2316 2.2325 2.8585 2.8671 2.9543 2.9556 3.1785 3.1850 3.7231 3.7327 3.9480 3.9500 4.7387 4.7408 4.8948 4.8972 5.4585 5.4660 5.5975 5.6050 6.0137 6.0210 6.3247 6.3310 6.5942 6.5968 9.1121 9.1130 9.7034 9.7071 10.1553 10.1577 13.3047 13.3132 14.2584 14.2672 k = 0.2255 0.1302-0.0000 ( 3311 PWs) bands (ev): -13.1287 -13.1285 -12.1862 -12.1847 -12.1040 -12.1026 -10.4409 -10.4390 -10.2665 -10.2641 -9.7403 -9.7394 -0.5295 -0.5286 0.0737 0.0744 0.4740 0.4762 1.0360 1.0368 1.4196 1.4221 2.2143 2.2153 2.8494 2.8585 2.9919 2.9933 3.1786 3.1864 3.7360 3.7457 3.8770 3.8796 4.7970 4.7992 4.8851 4.8875 5.4789 5.4855 5.6053 5.6120 6.0349 6.0423 6.3564 6.3627 6.6278 6.6302 9.1879 9.1887 9.6879 9.6915 10.1780 10.1804 13.3576 13.3663 14.2632 14.2719 k = 0.2353 0.1358-0.0000 ( 3309 PWs) bands (ev): -13.0970 -13.0967 -12.1679 -12.1664 -12.0771 -12.0757 -10.4667 -10.4648 -10.2755 -10.2729 -9.7744 -9.7734 -0.5980 -0.5972 0.0239 0.0246 0.4350 0.4373 1.0141 1.0149 1.4030 1.4056 2.1970 2.1980 2.8360 2.8451 3.0239 3.0265 3.1840 3.1932 3.7485 3.7588 3.8101 3.8142 4.8497 4.8534 4.8754 4.8794 5.5000 5.5059 5.6154 5.6215 6.0558 6.0633 6.3883 6.3948 6.6590 6.6613 9.2610 9.2618 9.6730 9.6765 10.2018 10.2044 13.4099 13.4185 14.2748 14.2832 k = 0.2451 0.1415-0.0000 ( 3307 PWs) bands (ev): -13.0642 -13.0639 -12.1493 -12.1477 -12.0494 -12.0479 -10.4936 -10.4918 -10.2849 -10.2823 -9.8091 -9.8081 -0.6657 -0.6649 -0.0243 -0.0237 0.3964 0.3987 0.9930 0.9937 1.3870 1.3898 2.1796 2.1807 2.8194 2.8284 3.0466 3.0505 3.1971 3.2073 3.7356 3.7391 3.7790 3.7821 4.8589 4.8600 4.9082 4.9103 5.5218 5.5271 5.6282 5.6335 6.0761 6.0838 6.4206 6.4271 6.6877 6.6899 9.3312 9.3319 9.6588 9.6622 10.2268 10.2293 13.4614 13.4700 14.2929 14.3009 k = 0.2549 0.1472-0.0000 ( 3305 PWs) bands (ev): -13.0304 -13.0302 -12.1303 -12.1286 -12.0207 -12.0192 -10.5218 -10.5200 -10.2948 -10.2921 -9.8443 -9.8432 -0.7324 -0.7316 -0.0706 -0.0701 0.3582 0.3606 0.9724 0.9731 1.3719 1.3748 2.1624 2.1635 2.8004 2.8092 3.0576 3.0623 3.2187 3.2294 3.6819 3.6831 3.7917 3.7971 4.8461 4.8470 4.9557 4.9576 5.5438 5.5486 5.6439 5.6486 6.0959 6.1037 6.4529 6.4595 6.7139 6.7160 9.3982 9.3990 9.6454 9.6487 10.2526 10.2552 13.5123 13.5207 14.3173 14.3249 k = 0.2647 0.1528-0.0000 ( 3305 PWs) bands (ev): -12.9958 -12.9955 -12.1110 -12.1093 -11.9911 -11.9896 -10.5511 -10.5494 -10.3053 -10.3026 -9.8798 -9.8786 -0.7981 -0.7973 -0.1150 -0.1145 0.3205 0.3229 0.9526 0.9532 1.3578 1.3608 2.1452 2.1464 2.7795 2.7880 3.0577 3.0625 3.2455 3.2561 3.6309 3.6335 3.8101 3.8156 4.8315 4.8326 4.9989 5.0011 5.5660 5.5703 5.6629 5.6671 6.1149 6.1227 6.4853 6.4919 6.7377 6.7398 9.4617 9.4623 9.6334 9.6365 10.2791 10.2818 13.5626 13.5706 14.3473 14.3543 k = 0.2745 0.1585-0.0000 ( 3305 PWs) bands (ev): -12.9604 -12.9601 -12.0914 -12.0897 -11.9607 -11.9592 -10.5815 -10.5799 -10.3165 -10.3137 -9.9154 -9.9141 -0.8625 -0.8618 -0.1572 -0.1567 0.2833 0.2857 0.9334 0.9340 1.3449 1.3479 2.1282 2.1294 2.7571 2.7653 3.0493 3.0541 3.2709 3.2811 3.5911 3.5950 3.8301 3.8353 4.8160 4.8175 5.0371 5.0394 5.5880 5.5919 5.6853 5.6891 6.1330 6.1409 6.5175 6.5242 6.7592 6.7613 9.5198 9.5203 9.6245 9.6273 10.3061 10.3089 13.6125 13.6202 14.3822 14.3885 k = 0.2843 0.1641-0.0000 ( 3309 PWs) bands (ev): -12.9242 -12.9239 -12.0717 -12.0699 -11.9295 -11.9280 -10.6131 -10.6115 -10.3286 -10.3257 -9.9509 -9.9495 -0.9257 -0.9250 -0.1971 -0.1968 0.2467 0.2491 0.9150 0.9155 1.3330 1.3361 2.1115 2.1126 2.7333 2.7411 3.0347 3.0393 3.2874 3.2971 3.5680 3.5731 3.8511 3.8559 4.8000 4.8017 5.0699 5.0724 5.6097 5.6132 5.7113 5.7147 6.1501 6.1579 6.5493 6.5561 6.7785 6.7807 9.5638 9.5656 9.6267 9.6292 10.3334 10.3363 13.6624 13.6696 14.4208 14.4263 k = 0.2941 0.1698-0.0000 ( 3313 PWs) bands (ev): -12.8873 -12.8870 -12.0518 -12.0500 -11.8976 -11.8960 -10.6457 -10.6441 -10.3416 -10.3387 -9.9861 -9.9846 -0.9873 -0.9866 -0.2347 -0.2344 0.2107 0.2131 0.8973 0.8978 1.3225 1.3256 2.0950 2.0961 2.7082 2.7156 3.0153 3.0197 3.2898 3.2984 3.5664 3.5723 3.8727 3.8770 4.7836 4.7855 5.0973 5.0999 5.6308 5.6339 5.7408 5.7439 6.1659 6.1738 6.5806 6.5875 6.7958 6.7982 9.5756 9.5786 9.6588 9.6613 10.3609 10.3638 13.7125 13.7193 14.4618 14.4665 k = 0.3039 0.1755-0.0000 ( 3315 PWs) bands (ev): -12.8499 -12.8495 -12.0317 -12.0299 -11.8649 -11.8633 -10.6793 -10.6778 -10.3557 -10.3528 -10.0207 -10.0191 -1.0473 -1.0466 -0.2700 -0.2697 0.1754 0.1778 0.8802 0.8807 1.3133 1.3164 2.0788 2.0800 2.6817 2.6886 2.9923 2.9964 3.2784 3.2855 3.5848 3.5912 3.8947 3.8985 4.7669 4.7691 5.1195 5.1222 5.6511 5.6538 5.7733 5.7762 6.1804 6.1883 6.6112 6.6181 6.8116 6.8142 9.5703 9.5733 9.7065 9.7087 10.3882 10.3913 13.7631 13.7694 14.5037 14.5075 k = 0.3137 0.1811-0.0000 ( 3307 PWs) bands (ev): -12.8120 -12.8116 -12.0116 -12.0097 -11.8315 -11.8300 -10.7138 -10.7124 -10.3713 -10.3684 -10.0543 -10.0526 -1.1055 -1.1049 -0.3027 -0.3025 0.1409 0.1433 0.8640 0.8644 1.3055 1.3086 2.0631 2.0642 2.6536 2.6601 2.9668 2.9704 3.2587 3.2644 3.6169 3.6234 3.9169 3.9202 4.7502 4.7527 5.1369 5.1396 5.6706 5.6729 5.8084 5.8110 6.1934 6.2013 6.6406 6.6477 6.8260 6.8289 9.5617 9.5644 9.7554 9.7575 10.4154 10.4185 13.8145 13.8202 14.5449 14.5478 k = 0.3235 0.1868-0.0000 ( 3307 PWs) bands (ev): -12.7737 -12.7733 -11.9914 -11.9895 -11.7976 -11.7960 -10.7492 -10.7479 -10.3885 -10.3856 -10.0866 -10.0848 -1.1617 -1.1612 -0.3331 -0.3329 0.1072 0.1095 0.8484 0.8488 1.2992 1.3022 2.0478 2.0489 2.6239 2.6298 2.9399 2.9430 3.2356 3.2401 3.6565 3.6633 3.9392 3.9419 4.7335 4.7363 5.1501 5.1528 5.6891 5.6911 5.8452 5.8477 6.2047 6.2126 6.6685 6.6758 6.8397 6.8429 9.5524 9.5550 9.8028 9.8048 10.4422 10.4453 13.8668 13.8720 14.5834 14.5855 k = 0.3333 0.1925-0.0000 ( 3311 PWs) bands (ev): -12.7352 -12.7347 -11.9711 -11.9692 -11.7631 -11.7615 -10.7853 -10.7841 -10.4078 -10.4049 -10.1171 -10.1153 -1.2159 -1.2154 -0.3610 -0.3608 0.0744 0.0766 0.8336 0.8340 1.2942 1.2973 2.0330 2.0341 2.5924 2.5978 2.9128 2.9153 3.2120 3.2155 3.7000 3.7070 3.9614 3.9636 4.7170 4.7200 5.1597 5.1622 5.7068 5.7085 5.8829 5.8853 6.2144 6.2223 6.6945 6.7019 6.8531 6.8566 9.5432 9.5456 9.8479 9.8499 10.4683 10.4715 13.9200 13.9247 14.6176 14.6191 k = 0.3431 0.1981-0.0000 ( 3311 PWs) bands (ev): -12.6966 -12.6961 -11.9508 -11.9489 -11.7282 -11.7266 -10.8220 -10.8210 -10.4293 -10.4266 -10.1455 -10.1437 -1.2678 -1.2673 -0.3864 -0.3863 0.0424 0.0446 0.8196 0.8199 1.2907 1.2937 2.0187 2.0198 2.5591 2.5640 2.8864 2.8885 3.1890 3.1918 3.7451 3.7524 3.9835 3.9853 4.7008 4.7041 5.1661 5.1685 5.7235 5.7252 5.9210 5.9232 6.2222 6.2301 6.7181 6.7257 6.8669 6.8708 9.5343 9.5366 9.8907 9.8926 10.4938 10.4970 13.9742 13.9783 14.6462 14.6477 k = 0.3529 0.2038-0.0000 ( 3303 PWs) bands (ev): -12.6580 -12.6575 -11.9305 -11.9285 -11.6929 -11.6914 -10.8592 -10.8583 -10.4533 -10.4507 -10.1715 -10.1697 -1.3174 -1.3169 -0.4095 -0.4094 0.0115 0.0137 0.8063 0.8066 1.2887 1.2916 2.0051 2.0061 2.5242 2.5285 2.8615 2.8632 3.1672 3.1694 3.7903 3.7981 4.0056 4.0071 4.6850 4.6885 5.1698 5.1722 5.7394 5.7410 5.9586 5.9608 6.2282 6.2361 6.7388 6.7465 6.8818 6.8858 9.5258 9.5279 9.9310 9.9329 10.5185 10.5216 14.0292 14.0328 14.6691 14.6709 k = 0.3627 0.2094-0.0000 ( 3299 PWs) bands (ev): -12.6198 -12.6192 -11.9101 -11.9081 -11.6575 -11.6560 -10.8967 -10.8959 -10.4799 -10.4775 -10.1948 -10.1932 -1.3644 -1.3639 -0.4303 -0.4301 -0.0183 -0.0162 0.7938 0.7940 1.2880 1.2909 1.9921 1.9931 2.4879 2.4917 2.8386 2.8401 3.1467 3.1484 3.8347 3.8428 4.0277 4.0292 4.6697 4.6735 5.1714 5.1736 5.7544 5.7561 5.9953 5.9973 6.2322 6.2403 6.7564 6.7639 6.8981 6.9022 9.5177 9.5197 9.9688 9.9707 10.5422 10.5453 14.0848 14.0879 14.6867 14.6890 k = 0.3725 0.2151-0.0000 ( 3299 PWs) bands (ev): -12.5819 -12.5814 -11.8897 -11.8877 -11.6220 -11.6206 -10.9342 -10.9335 -10.5090 -10.5068 -10.2155 -10.2140 -1.4088 -1.4084 -0.4488 -0.4486 -0.0469 -0.0449 0.7820 0.7823 1.2887 1.2914 1.9799 1.9808 2.4507 2.4541 2.8179 2.8194 3.1275 3.1289 3.8772 3.8856 4.0502 4.0517 4.6550 4.6591 5.1712 5.1733 5.7685 5.7704 6.0305 6.0325 6.2345 6.2426 6.7707 6.7779 6.9159 6.9199 9.5101 9.5119 10.0042 10.0060 10.5648 10.5678 14.1406 14.1432 14.7000 14.7027 k = 0.3824 0.2208-0.0000 ( 3297 PWs) bands (ev): -12.5448 -12.5443 -11.8692 -11.8672 -11.5868 -11.5854 -10.9714 -10.9709 -10.5404 -10.5386 -10.2336 -10.2322 -1.4503 -1.4500 -0.4651 -0.4648 -0.0743 -0.0724 0.7711 0.7713 1.2906 1.2932 1.9684 1.9693 2.4131 2.4161 2.7995 2.8010 3.1096 3.1106 3.9169 3.9256 4.0734 4.0751 4.6410 4.6454 5.1695 5.1714 5.7819 5.7840 6.0638 6.0657 6.2350 6.2432 6.7821 6.7890 6.9350 6.9387 9.5030 9.5047 10.0371 10.0388 10.5862 10.5891 14.1964 14.1986 14.7100 14.7131 k = 0.3922 0.2264-0.0000 ( 3293 PWs) bands (ev): -12.5087 -12.5081 -11.8485 -11.8465 -11.5523 -11.5509 -11.0079 -11.0074 -10.5740 -10.5724 -10.2493 -10.2481 -1.4891 -1.4887 -0.4793 -0.4790 -0.1003 -0.0985 0.7609 0.7611 1.2936 1.2962 1.9577 1.9585 2.3756 2.3782 2.7834 2.7850 3.0928 3.0937 3.9530 3.9617 4.0979 4.0997 4.6279 4.6325 5.1667 5.1685 5.7945 5.7968 6.0948 6.0967 6.2340 6.2424 6.7911 6.7974 6.9548 6.9582 9.4964 9.4979 10.0675 10.0691 10.6063 10.6091 14.2517 14.2536 14.7174 14.7209 k = 0.4020 0.2321-0.0000 ( 3299 PWs) bands (ev): -12.4738 -12.4732 -11.8276 -11.8256 -11.5189 -11.5176 -11.0428 -11.0424 -10.6093 -10.6079 -10.2628 -10.2619 -1.5248 -1.5245 -0.4915 -0.4912 -0.1248 -0.1231 0.7516 0.7518 1.2977 1.3000 1.9478 1.9486 2.3389 2.3412 2.7694 2.7711 3.0774 3.0781 3.9848 3.9931 4.1239 4.1255 4.6156 4.6205 5.1629 5.1646 5.8064 5.8088 6.1229 6.1250 6.2318 6.2404 6.7981 6.8039 6.9747 6.9777 9.4903 9.4917 10.0954 10.0969 10.6250 10.6277 14.3060 14.3077 14.7228 14.7267 k = 0.4118 0.2377-0.0000 ( 3294 PWs) bands (ev): -12.4406 -12.4400 -11.8064 -11.8044 -11.4876 -11.4863 -11.0754 -11.0750 -10.6460 -10.6449 -10.2745 -10.2737 -1.5574 -1.5571 -0.5018 -0.5014 -0.1477 -0.1461 0.7431 0.7432 1.3025 1.3047 1.9388 1.9395 2.3034 2.3055 2.7575 2.7591 3.0632 3.0639 4.0119 4.0196 4.1512 4.1524 4.6043 4.6095 5.1585 5.1600 5.8175 5.8200 6.1477 6.1502 6.2291 6.2380 6.8037 6.8090 6.9941 6.9968 9.4847 9.4860 10.1207 10.1222 10.6423 10.6448 14.3587 14.3605 14.7267 14.7310 k = 0.4216 0.2434-0.0000 ( 3290 PWs) bands (ev): -12.4093 -12.4087 -11.7848 -11.7828 -11.4597 -11.4586 -11.1040 -11.1035 -10.6837 -10.6829 -10.2845 -10.2838 -1.5868 -1.5866 -0.5103 -0.5100 -0.1689 -0.1674 0.7354 0.7356 1.3080 1.3100 1.9307 1.9314 2.2699 2.2717 2.7473 2.7489 3.0502 3.0509 4.0346 4.0415 4.1792 4.1798 4.5942 4.5995 5.1536 5.1551 5.8279 5.8304 6.1680 6.1712 6.2270 6.2363 6.8081 6.8129 7.0127 7.0150 9.4797 9.4808 10.1435 10.1448 10.6580 10.6603 14.4093 14.4114 14.7293 14.7339 k = 0.4314 0.2491-0.0000 ( 3280 PWs) bands (ev): -12.3804 -12.3798 -11.7627 -11.7608 -11.4374 -11.4364 -11.1264 -11.1257 -10.7222 -10.7215 -10.2930 -10.2924 -1.6130 -1.6127 -0.5173 -0.5169 -0.1881 -0.1868 0.7286 0.7288 1.3138 1.3157 1.9236 1.9242 2.2387 2.2403 2.7388 2.7403 3.0387 3.0393 4.0534 4.0592 4.2063 4.2071 4.5853 4.5906 5.1486 5.1499 5.8375 5.8400 6.1820 6.1856 6.2282 6.2374 6.8117 6.8159 7.0298 7.0318 9.4752 9.4762 10.1638 10.1649 10.6721 10.6741 14.4573 14.4599 14.7306 14.7355 k = 0.4412 0.2547-0.0000 ( 3282 PWs) bands (ev): -12.3542 -12.3537 -11.7403 -11.7385 -11.4232 -11.4224 -11.1397 -11.1389 -10.7611 -10.7605 -10.3001 -10.2996 -1.6358 -1.6356 -0.5228 -0.5224 -0.2053 -0.2041 0.7227 0.7228 1.3198 1.3215 1.9174 1.9179 2.2103 2.2117 2.7318 2.7332 3.0285 3.0291 4.0688 4.0736 4.2316 4.2329 4.5777 4.5829 5.1435 5.1447 5.8462 5.8486 6.1882 6.1910 6.2355 6.2429 6.8147 6.8183 7.0453 7.0470 9.4713 9.4721 10.1814 10.1824 10.6845 10.6863 14.5021 14.5052 14.7305 14.7358 k = 0.4510 0.2604-0.0000 ( 3286 PWs) bands (ev): -12.3312 -12.3307 -11.7176 -11.7159 -11.4193 -11.4186 -11.1415 -11.1406 -10.8001 -10.7996 -10.3060 -10.3056 -1.6552 -1.6550 -0.5270 -0.5267 -0.2203 -0.2192 0.7177 0.7178 1.3256 1.3270 1.9121 1.9125 2.1853 2.1865 2.7261 2.7273 3.0198 3.0203 4.0812 4.0852 4.2545 4.2562 4.5714 4.5764 5.1388 5.1398 5.8539 5.8562 6.1881 6.1901 6.2465 6.2517 6.8171 6.8201 7.0589 7.0603 9.4679 9.4686 10.1964 10.1972 10.6951 10.6966 14.5432 14.5469 14.7290 14.7345 k = 0.4608 0.2660-0.0000 ( 3302 PWs) bands (ev): -12.3118 -12.3114 -11.6951 -11.6935 -11.4253 -11.4247 -11.1318 -11.1308 -10.8386 -10.8381 -10.3107 -10.3104 -1.6711 -1.6710 -0.5301 -0.5299 -0.2328 -0.2319 0.7135 0.7136 1.3309 1.3321 1.9078 1.9082 2.1641 2.1651 2.7216 2.7226 3.0126 3.0130 4.0911 4.0942 4.2742 4.2760 4.5665 4.5710 5.1345 5.1354 5.8606 5.8626 6.1851 6.1867 6.2574 6.2611 6.8190 6.8215 7.0703 7.0714 9.4652 9.4657 10.2086 10.2093 10.7039 10.7051 14.5801 14.5843 14.7257 14.7315 k = 0.4706 0.2717-0.0000 ( 3300 PWs) bands (ev): -12.2963 -12.2959 -11.6733 -11.6720 -11.4381 -11.4376 -11.1132 -11.1122 -10.8760 -10.8755 -10.3143 -10.3141 -1.6836 -1.6835 -0.5323 -0.5321 -0.2427 -0.2421 0.7103 0.7104 1.3355 1.3364 1.9045 1.9048 2.1472 2.1479 2.7183 2.7191 3.0070 3.0073 4.0987 4.1010 4.2901 4.2918 4.5631 4.5668 5.1309 5.1316 5.8661 5.8677 6.1815 6.1829 6.2666 6.2691 6.8205 6.8224 7.0794 7.0802 9.4630 9.4634 10.2183 10.2188 10.7108 10.7118 14.6124 14.6171 14.7205 14.7264 k = 0.4804 0.2774-0.0000 ( 3296 PWs) bands (ev): -12.2849 -12.2847 -11.6540 -11.6529 -11.4533 -11.4529 -11.0897 -11.0888 -10.9108 -10.9103 -10.3168 -10.3167 -1.6925 -1.6924 -0.5338 -0.5336 -0.2499 -0.2495 0.7080 0.7080 1.3390 1.3396 1.9022 1.9024 2.1348 2.1353 2.7160 2.7165 3.0029 3.0031 4.1042 4.1057 4.3019 4.3032 4.5610 4.5636 5.1282 5.1287 5.8703 5.8714 6.1785 6.1795 6.2736 6.2751 6.8217 6.8230 7.0860 7.0866 9.4615 9.4618 10.2252 10.2255 10.7159 10.7165 14.6398 14.6449 14.7131 14.7189 k = 0.4902 0.2830-0.0000 ( 3288 PWs) bands (ev): -12.2780 -12.2779 -11.6397 -11.6391 -11.4658 -11.4655 -11.0671 -11.0665 -10.9393 -10.9389 -10.3183 -10.3182 -1.6978 -1.6978 -0.5346 -0.5345 -0.2542 -0.2540 0.7066 0.7066 1.3413 1.3416 1.9008 1.9009 2.1273 2.1275 2.7147 2.7150 3.0005 3.0006 4.1076 4.1083 4.3092 4.3100 4.5601 4.5614 5.1266 5.1269 5.8730 5.8735 6.1766 6.1771 6.2779 6.2787 6.8226 6.8232 7.0901 7.0904 9.4606 9.4608 10.2294 10.2296 10.7190 10.7193 14.6617 14.6663 14.7042 14.7092 k = 0.5000 0.2887-0.0000 ( 3288 PWs) bands (ev): -12.2757 -12.2757 -11.6341 -11.6341 -11.4706 -11.4706 -11.0562 -11.0562 -10.9516 -10.9516 -10.3188 -10.3188 -1.6996 -1.6996 -0.5348 -0.5348 -0.2556 -0.2556 0.7062 0.7062 1.3421 1.3421 1.9004 1.9004 2.1249 2.1249 2.7144 2.7144 2.9997 2.9997 4.1089 4.1089 4.3120 4.3120 4.5602 4.5602 5.1262 5.1262 5.8741 5.8741 6.1761 6.1761 6.2796 6.2796 6.8230 6.8230 7.0916 7.0916 9.4604 9.4604 10.2309 10.2309 10.7201 10.7201 14.6744 14.6744 14.7004 14.7004 k = 0.5000 0.2887-0.0000 ( 3288 PWs) bands (ev): -12.2757 -12.2757 -11.6341 -11.6341 -11.4706 -11.4706 -11.0562 -11.0562 -10.9516 -10.9516 -10.3188 -10.3188 -1.6996 -1.6996 -0.5348 -0.5348 -0.2556 -0.2556 0.7062 0.7062 1.3421 1.3421 1.9004 1.9004 2.1249 2.1249 2.7144 2.7144 2.9997 2.9997 4.1089 4.1089 4.3120 4.3120 4.5602 4.5602 5.1262 5.1262 5.8741 5.8741 6.1761 6.1761 6.2796 6.2796 6.8230 6.8230 7.0916 7.0916 9.4604 9.4604 10.2309 10.2309 10.7201 10.7201 14.6744 14.6744 14.7004 14.7004 k = 0.4944 0.2983-0.0000 ( 3292 PWs) bands (ev): -12.2750 -12.2750 -11.6338 -11.6337 -11.4705 -11.4705 -11.0562 -11.0562 -10.9518 -10.9518 -10.3196 -10.3195 -1.6995 -1.6995 -0.5378 -0.5378 -0.2561 -0.2559 0.7088 0.7090 1.3412 1.3413 1.8932 1.8934 2.1251 2.1251 2.7231 2.7231 3.0011 3.0012 4.1066 4.1068 4.3058 4.3066 4.5606 4.5608 5.1316 5.1320 5.8752 5.8754 6.1755 6.1759 6.2800 6.2801 6.8212 6.8215 7.0918 7.0919 9.4617 9.4617 10.2304 10.2305 10.7196 10.7196 14.6740 14.6746 14.7019 14.7020 k = 0.4889 0.3079-0.0000 ( 3292 PWs) bands (ev): -12.2729 -12.2729 -11.6326 -11.6326 -11.4703 -11.4702 -11.0563 -11.0563 -10.9523 -10.9523 -10.3219 -10.3218 -1.6993 -1.6992 -0.5468 -0.5466 -0.2575 -0.2571 0.7169 0.7172 1.3384 1.3387 1.8729 1.8733 2.1257 2.1257 2.7483 2.7483 3.0051 3.0054 4.0998 4.1002 4.2888 4.2903 4.5619 4.5622 5.1477 5.1486 5.8787 5.8792 6.1742 6.1748 6.2812 6.2815 6.8159 6.8165 7.0924 7.0927 9.4656 9.4657 10.2291 10.2293 10.7181 10.7182 14.6733 14.6746 14.7064 14.7066 k = 0.4833 0.3175-0.0000 ( 3298 PWs) bands (ev): -12.2695 -12.2695 -11.6307 -11.6306 -11.4700 -11.4698 -11.0566 -11.0566 -10.9531 -10.9531 -10.3257 -10.3256 -1.6989 -1.6988 -0.5612 -0.5610 -0.2598 -0.2592 0.7300 0.7305 1.3338 1.3342 1.8424 1.8429 2.1267 2.1268 2.7871 2.7872 3.0119 3.0123 4.0891 4.0897 4.2622 4.2643 4.5639 4.5644 5.1733 5.1745 5.8845 5.8852 6.1720 6.1729 6.2832 6.2837 6.8075 6.8083 7.0934 7.0938 9.4722 9.4723 10.2269 10.2273 10.7157 10.7158 14.6724 14.6743 14.7140 14.7143 k = 0.4778 0.3272-0.0000 ( 3310 PWs) bands (ev): -12.2648 -12.2647 -11.6281 -11.6280 -11.4696 -11.4693 -11.0569 -11.0569 -10.9542 -10.9542 -10.3311 -10.3309 -1.6983 -1.6982 -0.5806 -0.5803 -0.2630 -0.2622 0.7474 0.7481 1.3269 1.3275 1.8049 1.8055 2.1282 2.1284 2.8362 2.8364 3.0213 3.0218 4.0750 4.0758 4.2279 4.2306 4.5665 4.5671 5.2063 5.2079 5.8923 5.8932 6.1691 6.1702 6.2862 6.2867 6.7962 6.7973 7.0946 7.0950 9.4813 9.4815 10.2240 10.2245 10.7122 10.7124 14.6712 14.6738 14.7244 14.7248 k = 0.4722 0.3368-0.0000 ( 3306 PWs) bands (ev): -12.2586 -12.2586 -11.6247 -11.6246 -11.4691 -11.4688 -11.0572 -11.0572 -10.9556 -10.9555 -10.3379 -10.3377 -1.6977 -1.6975 -0.6040 -0.6037 -0.2672 -0.2662 0.7686 0.7694 1.3175 1.3183 1.7639 1.7645 2.1303 2.1304 2.8922 2.8927 3.0333 3.0339 4.0582 4.0592 4.1879 4.1910 4.5695 4.5701 5.2451 5.2468 5.9019 5.9029 6.1656 6.1668 6.2901 6.2906 6.7824 6.7837 7.0957 7.0962 9.4930 9.4932 10.2203 10.2210 10.7079 10.7080 14.6699 14.6731 14.7375 14.7381 k = 0.4667 0.3464-0.0000 ( 3304 PWs) bands (ev): -12.2511 -12.2511 -11.6206 -11.6204 -11.4686 -11.4682 -11.0577 -11.0577 -10.9572 -10.9571 -10.3463 -10.3460 -1.6971 -1.6969 -0.6307 -0.6304 -0.2726 -0.2714 0.7928 0.7936 1.3053 1.3063 1.7220 1.7226 2.1329 2.1331 2.9524 2.9532 3.0476 3.0483 4.0398 4.0409 4.1437 4.1473 4.5727 4.5734 5.2877 5.2896 5.9128 5.9139 6.1613 6.1627 6.2950 6.2955 6.7664 6.7679 7.0966 7.0971 9.5071 9.5073 10.2160 10.2167 10.7025 10.7028 14.6684 14.6722 14.7530 14.7538 k = 0.4611 0.3560-0.0000 ( 3304 PWs) bands (ev): -12.2423 -12.2423 -11.6158 -11.6156 -11.4681 -11.4677 -11.0581 -11.0581 -10.9590 -10.9589 -10.3561 -10.3558 -1.6965 -1.6962 -0.6599 -0.6596 -0.2792 -0.2778 0.8191 0.8200 1.2899 1.2912 1.6815 1.6819 2.1360 2.1363 3.0142 3.0154 3.0643 3.0650 4.0207 4.0220 4.0969 4.1008 4.5761 4.5768 5.3327 5.3347 5.9246 5.9258 6.1563 6.1578 6.3011 6.3016 6.7488 6.7505 7.0970 7.0975 9.5236 9.5239 10.2110 10.2118 10.6963 10.6965 14.6667 14.6711 14.7705 14.7716 k = 0.4556 0.3657-0.0000 ( 3296 PWs) bands (ev): -12.2322 -12.2321 -11.6104 -11.6102 -11.4678 -11.4673 -11.0586 -11.0586 -10.9609 -10.9609 -10.3673 -10.3670 -1.6960 -1.6958 -0.6907 -0.6903 -0.2872 -0.2856 0.8469 0.8479 1.2711 1.2727 1.6439 1.6442 2.1399 2.1401 3.0736 3.0764 3.0841 3.0845 4.0022 4.0037 4.0488 4.0530 4.5797 4.5804 5.3789 5.3809 5.9367 5.9380 6.1507 6.1523 6.3084 6.3089 6.7300 6.7319 7.0969 7.0973 9.5424 9.5427 10.2054 10.2063 10.6890 10.6893 14.6651 14.6700 14.7898 14.7911 k = 0.4500 0.3753-0.0000 ( 3302 PWs) bands (ev): -12.2207 -12.2206 -11.6043 -11.6041 -11.4677 -11.4672 -11.0591 -11.0591 -10.9630 -10.9629 -10.3800 -10.3796 -1.6958 -1.6955 -0.7223 -0.7219 -0.2967 -0.2950 0.8755 0.8765 1.2490 1.2508 1.6103 1.6104 2.1443 2.1447 3.1013 3.1031 3.1353 3.1365 3.9855 3.9873 4.0007 4.0049 4.5836 4.5842 5.4251 5.4272 5.9487 5.9500 6.1444 6.1460 6.3173 6.3176 6.7104 6.7125 7.0960 7.0964 9.5633 9.5637 10.1994 10.2003 10.6809 10.6812 14.6634 14.6689 14.8102 14.8119 k = 0.4444 0.3849-0.0000 ( 3302 PWs) bands (ev): -12.2079 -12.2079 -11.5977 -11.5975 -11.4679 -11.4673 -11.0596 -11.0595 -10.9650 -10.9649 -10.3940 -10.3936 -1.6960 -1.6956 -0.7539 -0.7536 -0.3079 -0.3059 0.9043 0.9054 1.2239 1.2261 1.5809 1.5811 2.1494 2.1498 3.1225 3.1242 3.1888 3.1906 3.9523 3.9573 3.9735 3.9747 4.5880 4.5885 5.4704 5.4726 5.9599 5.9612 6.1373 6.1389 6.3279 6.3281 6.6906 6.6929 7.0943 7.0947 9.5863 9.5867 10.1929 10.1939 10.6719 10.6722 14.6619 14.6680 14.8313 14.8334 k = 0.4389 0.3945-0.0000 ( 3310 PWs) bands (ev): -12.1938 -12.1938 -11.5906 -11.5903 -11.4685 -11.4679 -11.0599 -11.0599 -10.9670 -10.9669 -10.4094 -10.4090 -1.6966 -1.6962 -0.7849 -0.7846 -0.3208 -0.3187 0.9329 0.9340 1.1968 1.1992 1.5557 1.5560 2.1551 2.1556 3.1439 3.1457 3.2355 3.2379 3.9067 3.9118 3.9655 3.9669 4.5933 4.5936 5.5141 5.5163 5.9696 5.9709 6.1296 6.1311 6.3405 6.3406 6.6711 6.6736 7.0917 7.0921 9.6111 9.6115 10.1860 10.1871 10.6619 10.6623 14.6605 14.6672 14.8524 14.8549 k = 0.4333 0.4041-0.0000 ( 3304 PWs) bands (ev): -12.1785 -12.1784 -11.5830 -11.5827 -11.4697 -11.4690 -11.0602 -11.0601 -10.9688 -10.9687 -10.4261 -10.4256 -1.6978 -1.6974 -0.8146 -0.8144 -0.3356 -0.3334 0.9610 0.9621 1.1686 1.1712 1.5341 1.5346 2.1614 2.1620 3.1649 3.1670 3.2733 3.2763 3.8639 3.8691 3.9641 3.9655 4.6000 4.6000 5.5555 5.5577 5.9773 5.9785 6.1211 6.1225 6.3553 6.3554 6.6525 6.6552 7.0881 7.0885 9.6377 9.6381 10.1790 10.1801 10.6511 10.6515 14.6595 14.6667 14.8729 14.8759 k = 0.4278 0.4138-0.0000 ( 3304 PWs) bands (ev): -12.1619 -12.1618 -11.5750 -11.5747 -11.4715 -11.4708 -11.0602 -11.0602 -10.9703 -10.9702 -10.4440 -10.4436 -1.6997 -1.6994 -0.8425 -0.8423 -0.3524 -0.3501 0.9881 0.9892 1.1404 1.1432 1.5154 1.5161 2.1682 2.1688 3.1846 3.1870 3.3007 3.3043 3.8253 3.8305 3.9697 3.9712 4.6085 4.6087 5.5939 5.5962 5.9823 5.9834 6.1118 6.1131 6.3725 6.3728 6.6352 6.6381 7.0836 7.0838 9.6658 9.6662 10.1718 10.1729 10.6395 10.6399 14.6590 14.6666 14.8921 14.8957 k = 0.4222 0.4234-0.0000 ( 3304 PWs) bands (ev): -12.1440 -12.1440 -11.5667 -11.5664 -11.4742 -11.4735 -11.0601 -11.0601 -10.9715 -10.9714 -10.4632 -10.4627 -1.7025 -1.7022 -0.8680 -0.8679 -0.3712 -0.3688 1.0141 1.0152 1.1133 1.1162 1.4989 1.4997 2.1753 2.1760 3.2019 3.2047 3.3175 3.3216 3.7920 3.7973 3.9822 3.9837 4.6196 4.6201 5.6290 5.6314 5.9841 5.9851 6.1017 6.1028 6.3923 6.3927 6.6199 6.6229 7.0780 7.0782 9.6952 9.6957 10.1646 10.1657 10.6271 10.6275 14.6590 14.6671 14.9094 14.9135 k = 0.4167 0.4330-0.0000 ( 3304 PWs) bands (ev): -12.1250 -12.1249 -11.5582 -11.5579 -11.4779 -11.4772 -11.0596 -11.0596 -10.9722 -10.9721 -10.4835 -10.4830 -1.7062 -1.7059 -0.8907 -0.8907 -0.3920 -0.3896 1.0390 1.0400 1.0880 1.0909 1.4839 1.4848 2.1827 2.1835 3.2155 3.2187 3.3243 3.3287 3.7657 3.7709 3.9998 4.0015 4.6342 4.6350 5.6603 5.6629 5.9822 5.9831 6.0908 6.0918 6.4147 6.4154 6.6070 6.6101 7.0713 7.0714 9.7257 9.7262 10.1574 10.1585 10.6139 10.6143 14.6597 14.6683 14.9240 14.9288 k = 0.4111 0.4426-0.0000 ( 3296 PWs) bands (ev): -12.1047 -12.1047 -11.5496 -11.5493 -11.4828 -11.4820 -11.0587 -11.0587 -10.9723 -10.9722 -10.5050 -10.5045 -1.7109 -1.7106 -0.9103 -0.9103 -0.4148 -0.4123 1.0624 1.0635 1.0652 1.0682 1.4698 1.4708 2.1901 2.1910 3.2242 3.2279 3.3226 3.3274 3.7477 3.7527 4.0202 4.0223 4.6532 4.6544 5.6878 5.6905 5.9764 5.9772 6.0791 6.0799 6.4398 6.4406 6.5966 6.5998 7.0636 7.0637 9.7571 9.7577 10.1503 10.1514 10.6001 10.6005 14.6613 14.6703 14.9357 14.9410 k = 0.4056 0.4523-0.0000 ( 3286 PWs) bands (ev): -12.0833 -12.0832 -11.5411 -11.5407 -11.4889 -11.4881 -11.0574 -11.0574 -10.9717 -10.9716 -10.5275 -10.5269 -1.7167 -1.7164 -0.9266 -0.9264 -0.4394 -0.4370 1.0453 1.0482 1.0847 1.0856 1.4562 1.4572 2.1973 2.1983 3.2271 3.2315 3.3143 3.3194 3.7387 3.7434 4.0409 4.0432 4.6772 4.6788 5.7114 5.7144 5.9666 5.9674 6.0667 6.0673 6.4673 6.4682 6.5890 6.5922 7.0548 7.0548 9.7891 9.7897 10.1435 10.1446 10.5857 10.5861 14.6639 14.6733 14.9439 14.9498 k = 0.4000 0.4619-0.0000 ( 3292 PWs) bands (ev): -12.0607 -12.0607 -11.5326 -11.5322 -11.4964 -11.4956 -11.0554 -11.0554 -10.9703 -10.9703 -10.5510 -10.5504 -1.7233 -1.7231 -0.9391 -0.9389 -0.4658 -0.4634 1.0285 1.0314 1.1055 1.1064 1.4426 1.4437 2.2043 2.2053 3.2242 3.2292 3.3013 3.3067 3.7389 3.7434 4.0596 4.0622 4.7067 4.7085 5.7313 5.7345 5.9530 5.9538 6.0536 6.0540 6.4968 6.4978 6.5840 6.5871 7.0447 7.0448 9.8215 9.8221 10.1370 10.1380 10.5708 10.5712 14.6676 14.6773 14.9486 14.9551 k = 0.3944 0.4715-0.0000 ( 3300 PWs) bands (ev): -12.0371 -12.0371 -11.5245 -11.5241 -11.5055 -11.5047 -11.0527 -11.0527 -10.9681 -10.9680 -10.5754 -10.5748 -1.7309 -1.7306 -0.9479 -0.9476 -0.4937 -0.4913 1.0150 1.0178 1.1250 1.1259 1.4289 1.4300 2.2107 2.2118 3.2162 3.2218 3.2853 3.2908 3.7475 3.7517 4.0746 4.0775 4.7415 4.7435 5.7478 5.7513 5.9359 5.9369 6.0399 6.0400 6.5280 6.5291 6.5814 6.5845 7.0336 7.0338 9.8539 9.8545 10.1308 10.1318 10.5555 10.5559 14.6725 14.6827 14.9498 14.9568 k = 0.3889 0.4811-0.0000 ( 3304 PWs) bands (ev): -12.0124 -12.0124 -11.5173 -11.5165 -11.5158 -11.5154 -11.0492 -11.0492 -10.9650 -10.9649 -10.6007 -10.6001 -1.7391 -1.7389 -0.9530 -0.9525 -0.5228 -0.5205 1.0047 1.0073 1.1434 1.1441 1.4148 1.4159 2.2164 2.2175 3.2045 3.2107 3.2676 3.2733 3.7631 3.7671 4.0851 4.0882 4.7809 4.7832 5.7611 5.7650 5.9161 5.9172 6.0255 6.0256 6.5602 6.5614 6.5811 6.5839 7.0215 7.0217 9.8860 9.8866 10.1251 10.1260 10.5399 10.5403 14.6789 14.6893 14.9477 14.9552 k = 0.3833 0.4907-0.0000 ( 3308 PWs) bands (ev): -11.9867 -11.9867 -11.5290 -11.5281 -11.5095 -11.5091 -11.0447 -11.0447 -10.9609 -10.9608 -10.6267 -10.6261 -1.7478 -1.7476 -0.9542 -0.9537 -0.5530 -0.5507 0.9975 1.0000 1.1605 1.1612 1.4003 1.4014 2.2212 2.2224 3.1907 3.1973 3.2492 3.2550 3.7841 3.7879 4.0910 4.0942 4.8240 4.8263 5.7717 5.7759 5.8942 5.8955 6.0106 6.0110 6.5815 6.5843 6.5938 6.5949 7.0082 7.0085 9.9175 9.9180 10.1198 10.1206 10.5243 10.5247 14.6867 14.6974 14.9426 14.9505 k = 0.3778 0.5004-0.0000 ( 3300 PWs) bands (ev): -11.9601 -11.9601 -11.5433 -11.5425 -11.5030 -11.5026 -11.0390 -11.0390 -10.9560 -10.9559 -10.6533 -10.6527 -1.7568 -1.7566 -0.9519 -0.9512 -0.5839 -0.5817 0.9932 0.9955 1.1765 1.1772 1.3853 1.3864 2.2250 2.2262 3.1763 3.1832 3.2309 3.2368 3.8087 3.8124 4.0924 4.0958 4.8694 4.8717 5.7799 5.7845 5.8711 5.8727 5.9955 5.9962 6.5842 6.5867 6.6267 6.6279 6.9939 6.9943 9.9479 9.9485 10.1151 10.1158 10.5088 10.5092 14.6960 14.7069 14.9348 14.9431 k = 0.3722 0.5100-0.0000 ( 3288 PWs) bands (ev): -11.9325 -11.9325 -11.5595 -11.5588 -11.4973 -11.4969 -11.0321 -11.0321 -10.9503 -10.9501 -10.6805 -10.6799 -1.7657 -1.7656 -0.9460 -0.9452 -0.6152 -0.6130 0.9914 0.9935 1.1915 1.1921 1.3698 1.3708 2.2277 2.2289 3.1624 3.1697 3.2133 3.2193 3.8356 3.8393 4.0898 4.0933 4.9155 4.9176 5.7861 5.7909 5.8477 5.8498 5.9803 5.9813 6.5873 6.5896 6.6595 6.6607 6.9785 6.9791 9.9769 9.9774 10.1109 10.1115 10.4938 10.4941 14.7068 14.7180 14.9247 14.9334 k = 0.3667 0.5196-0.0000 ( 3284 PWs) bands (ev): -11.9042 -11.9041 -11.5777 -11.5769 -11.4926 -11.4922 -11.0238 -11.0238 -10.9439 -10.9436 -10.7080 -10.7073 -1.7743 -1.7742 -0.9368 -0.9359 -0.6466 -0.6446 0.9919 0.9937 1.2055 1.2060 1.3540 1.3549 2.2294 2.2305 3.1501 3.1576 3.1968 3.2028 3.8634 3.8671 4.0839 4.0873 4.9606 4.9625 5.7903 5.7952 5.8253 5.8281 5.9653 5.9666 6.5909 6.5929 6.6916 6.6928 6.9622 6.9628 10.0039 10.0044 10.1072 10.1077 10.4794 10.4797 14.7191 14.7306 14.9127 14.9218 k = 0.3611 0.5292-0.0000 ( 3274 PWs) bands (ev): -11.8751 -11.8750 -11.5977 -11.5970 -11.4888 -11.4885 -11.0141 -11.0141 -10.9371 -10.9368 -10.7354 -10.7348 -1.7822 -1.7822 -0.9245 -0.9235 -0.6779 -0.6759 0.9941 0.9957 1.2186 1.2190 1.3380 1.3389 2.2301 2.2311 3.1400 3.1476 3.1817 3.1878 3.8913 3.8950 4.0751 4.0786 5.0029 5.0046 5.7925 5.7961 5.8053 5.8103 5.9509 5.9525 6.5946 6.5963 6.7225 6.7237 6.9450 6.9457 10.0284 10.0288 10.1040 10.1045 10.4662 10.4665 14.7329 14.7445 14.8992 14.9085 k = 0.3556 0.5389-0.0000 ( 3272 PWs) bands (ev): -11.8454 -11.8452 -11.6195 -11.6188 -11.4861 -11.4858 -11.0027 -11.0027 -10.9305 -10.9301 -10.7623 -10.7617 -1.7893 -1.7892 -0.9093 -0.9082 -0.7087 -0.7069 0.9976 0.9989 1.2307 1.2310 1.3222 1.3229 2.2301 2.2309 3.1325 3.1402 3.1684 3.1744 3.9182 3.9220 4.0641 4.0676 5.0406 5.0420 5.7861 5.7873 5.7955 5.8036 5.9377 5.9394 6.5981 6.5995 6.7519 6.7531 6.9270 6.9278 10.0498 10.0502 10.1012 10.1016 10.4546 10.4548 14.7479 14.7597 14.8844 14.8940 k = 0.3500 0.5485-0.0000 ( 3268 PWs) bands (ev): -11.8152 -11.8150 -11.6432 -11.6425 -11.4844 -11.4842 -10.9898 -10.9898 -10.9250 -10.9246 -10.7876 -10.7870 -1.7951 -1.7951 -0.8914 -0.8902 -0.7389 -0.7371 1.0017 1.0027 1.2420 1.2422 1.3069 1.3074 2.2294 2.2301 3.1277 3.1356 3.1570 3.1628 3.9435 3.9475 4.0514 4.0547 5.0721 5.0731 5.7744 5.7765 5.7939 5.8018 5.9262 5.9280 6.6012 6.6022 6.7795 6.7807 6.9082 6.9091 10.0675 10.0678 10.0989 10.0992 10.4450 10.4452 14.7639 14.7760 14.8687 14.8785 k = 0.3444 0.5581-0.0000 ( 3266 PWs) bands (ev): -11.7847 -11.7844 -11.6686 -11.6680 -11.4836 -11.4834 -10.9753 -10.9753 -10.9228 -10.9225 -10.8091 -10.8087 -1.7996 -1.7995 -0.8709 -0.8696 -0.7681 -0.7665 1.0058 1.0065 1.2524 1.2525 1.2928 1.2931 2.2285 2.2290 3.1257 3.1339 3.1475 3.1531 3.9666 3.9708 4.0374 4.0405 5.0955 5.0962 5.7680 5.7706 5.7907 5.7984 5.9175 5.9189 6.6037 6.6044 6.8051 6.8062 6.8889 6.8899 10.0810 10.0812 10.0970 10.0971 10.4379 10.4380 14.7805 14.7930 14.8525 14.8623 k = 0.3389 0.5677-0.0000 ( 3266 PWs) bands (ev): -11.7544 -11.7540 -11.6956 -11.6951 -11.4834 -11.4833 -10.9591 -10.9591 -10.9273 -10.9271 -10.8235 -10.8233 -1.8024 -1.8024 -0.8481 -0.8467 -0.7962 -0.7947 1.0090 1.0094 1.2618 1.2618 1.2805 1.2806 2.2278 2.2280 3.1261 3.1349 3.1405 3.1453 3.9866 3.9914 4.0228 4.0255 5.1099 5.1102 5.7682 5.7707 5.7848 5.7928 5.9121 5.9130 6.6054 6.6058 6.8284 6.8294 6.8692 6.8704 10.0897 10.0899 10.0953 10.0953 10.4336 10.4337 14.7971 14.8104 14.8363 14.8456 k = 0.3333 0.5774-0.0000 ( 3270 PWs) bands (ev): -11.7257 -11.7247 -11.7231 -11.7231 -11.4834 -11.4834 -10.9427 -10.9427 -10.9399 -10.9399 -10.8282 -10.8282 -1.8033 -1.8033 -0.8240 -0.8220 -0.8220 -0.8211 1.0104 1.0104 1.2690 1.2690 1.2721 1.2724 2.2275 2.2275 3.1270 3.1375 3.1375 3.1404 3.9988 4.0063 4.0124 4.0124 5.1148 5.1148 5.7738 5.7738 5.7776 5.7878 5.9106 5.9106 6.6062 6.6062 6.8478 6.8478 6.8509 6.8532 10.0935 10.0937 10.0938 10.0938 10.4323 10.4323 14.8080 14.8255 14.8255 14.8309 k = 0.3333 0.5774-0.0000 ( 3270 PWs) bands (ev): -11.7257 -11.7247 -11.7231 -11.7231 -11.4834 -11.4834 -10.9427 -10.9427 -10.9399 -10.9399 -10.8282 -10.8282 -1.8033 -1.8033 -0.8240 -0.8220 -0.8220 -0.8211 1.0104 1.0104 1.2690 1.2690 1.2721 1.2724 2.2275 2.2275 3.1270 3.1375 3.1375 3.1404 3.9988 4.0063 4.0124 4.0124 5.1148 5.1148 5.7738 5.7738 5.7776 5.7878 5.9106 5.9106 6.6062 6.6062 6.8478 6.8478 6.8509 6.8532 10.0935 10.0937 10.0938 10.0938 10.4323 10.4323 14.8080 14.8255 14.8255 14.8309 k = 0.3277 0.5676-0.0000 ( 3260 PWs) bands (ev): -11.7552 -11.7548 -11.6952 -11.6945 -11.4831 -11.4830 -10.9639 -10.9638 -10.9215 -10.9215 -10.8245 -10.8242 -1.8023 -1.8023 -0.8487 -0.8474 -0.7955 -0.7940 1.0087 1.0090 1.2637 1.2642 1.2786 1.2789 2.2279 2.2282 3.1257 3.1344 3.1410 3.1456 3.9877 3.9926 4.0216 4.0243 5.1101 5.1103 5.7636 5.7662 5.7896 5.7967 5.9120 5.9130 6.6053 6.6057 6.8295 6.8305 6.8681 6.8693 10.0921 10.0923 10.0929 10.0929 10.4335 10.4336 14.7967 14.8103 14.8363 14.8459 k = 0.3220 0.5578-0.0000 ( 3264 PWs) bands (ev): -11.7875 -11.7871 -11.6684 -11.6676 -11.4812 -11.4809 -10.9916 -10.9913 -10.9003 -10.9003 -10.8154 -10.8150 -1.7990 -1.7990 -0.8727 -0.8714 -0.7660 -0.7644 1.0036 1.0043 1.2613 1.2620 1.2857 1.2860 2.2296 2.2301 3.1240 3.1317 3.1491 3.1543 3.9719 3.9763 4.0318 4.0351 5.0970 5.0973 5.7492 5.7518 5.8086 5.8151 5.9169 5.9189 6.6029 6.6035 6.8105 6.8116 6.8841 6.8852 10.0876 10.0877 10.0905 10.0909 10.4371 10.4373 14.7794 14.7925 14.8519 14.8623 k = 0.3164 0.5480-0.0000 ( 3264 PWs) bands (ev): -11.8212 -11.8208 -11.6459 -11.6448 -11.4759 -11.4753 -11.0220 -11.0217 -10.8776 -10.8776 -10.8032 -10.8027 -1.7934 -1.7934 -0.8948 -0.8936 -0.7347 -0.7330 0.9949 0.9958 1.2631 1.2640 1.2920 1.2925 2.2330 2.2338 3.1234 3.1306 3.1598 3.1651 3.9559 3.9602 4.0387 4.0422 5.0768 5.0772 5.7327 5.7348 5.8311 5.8376 5.9249 5.9277 6.5984 6.5993 6.7930 6.7941 6.8974 6.8984 10.0788 10.0789 10.0888 10.0893 10.4421 10.4424 14.7613 14.7744 14.8666 14.8771 k = 0.3107 0.5382-0.0000 ( 3266 PWs) bands (ev): -11.8562 -11.8559 -11.6295 -11.6282 -11.4650 -11.4643 -11.0541 -11.0538 -10.8535 -10.8535 -10.7891 -10.7885 -1.7853 -1.7853 -0.9150 -0.9139 -0.7018 -0.7000 0.9829 0.9840 1.2689 1.2699 1.2978 1.2983 2.2383 2.2394 3.1239 3.1309 3.1725 3.1778 3.9404 3.9446 4.0419 4.0455 5.0511 5.0515 5.7146 5.7162 5.8556 5.8620 5.9354 5.9390 6.5914 6.5924 6.7777 6.7787 6.9079 6.9089 10.0669 10.0671 10.0869 10.0875 10.4480 10.4485 14.7429 14.7561 14.8793 14.8899 k = 0.3051 0.5284-0.0000 ( 3270 PWs) bands (ev): -11.8925 -11.8922 -11.6206 -11.6192 -11.4473 -11.4465 -11.0872 -11.0869 -10.8281 -10.8281 -10.7738 -10.7732 -1.7747 -1.7747 -0.9330 -0.9320 -0.6673 -0.6654 0.9681 0.9693 1.2781 1.2792 1.3031 1.3037 2.2459 2.2472 3.1256 3.1324 3.1868 3.1920 3.9257 3.9299 4.0414 4.0450 5.0210 5.0214 5.6952 5.6963 5.8804 5.8869 5.9481 5.9523 6.5813 6.5823 6.7654 6.7662 6.9156 6.9165 10.0528 10.0531 10.0846 10.0853 10.4540 10.4546 14.7241 14.7375 14.8894 14.8999 k = 0.2994 0.5186-0.0000 ( 3281 PWs) bands (ev): -11.9299 -11.9296 -11.6188 -11.6174 -11.4231 -11.4223 -11.1210 -11.1207 -10.8015 -10.8014 -10.7577 -10.7569 -1.7615 -1.7614 -0.9489 -0.9480 -0.6314 -0.6295 0.9513 0.9526 1.2899 1.2910 1.3080 1.3087 2.2558 2.2573 3.1283 3.1349 3.2025 3.2075 3.9121 3.9163 4.0372 4.0408 4.9875 4.9879 5.6747 5.6754 5.9043 5.9108 5.9626 5.9672 6.5678 6.5687 6.7567 6.7573 6.9206 6.9215 10.0369 10.0373 10.0818 10.0827 10.4597 10.4604 14.7050 14.7186 14.8962 14.9065 k = 0.2938 0.5089-0.0000 ( 3287 PWs) bands (ev): -11.9683 -11.9680 -11.6227 -11.6214 -11.3939 -11.3932 -11.1554 -11.1550 -10.7737 -10.7737 -10.7408 -10.7401 -1.7456 -1.7455 -0.9625 -0.9617 -0.5942 -0.5922 0.9332 0.9344 1.3034 1.3048 1.3131 1.3136 2.2682 2.2699 3.1318 3.1382 3.2193 3.2241 3.8998 3.9041 4.0294 4.0331 4.9516 4.9519 5.6534 5.6537 5.9264 5.9329 5.9785 5.9835 6.5508 6.5516 6.7519 6.7521 6.9229 6.9237 10.0199 10.0203 10.0785 10.0795 10.4644 10.4653 14.6854 14.6993 14.8992 14.9094 k = 0.2881 0.4991-0.0000 ( 3283 PWs) bands (ev): -12.0076 -12.0074 -11.6307 -11.6294 -11.3613 -11.3606 -11.1901 -11.1897 -10.7448 -10.7448 -10.7235 -10.7227 -1.7270 -1.7270 -0.9739 -0.9731 -0.5557 -0.5537 0.9143 0.9156 1.3156 1.3180 1.3203 1.3207 2.2830 2.2850 3.1358 3.1421 3.2370 3.2416 3.8892 3.8935 4.0183 4.0220 4.9137 4.9140 5.6313 5.6313 5.9459 5.9523 5.9954 6.0007 6.5307 6.5312 6.7505 6.7507 6.9226 6.9234 10.0021 10.0025 10.0746 10.0757 10.4680 10.4690 14.6652 14.6793 14.8982 14.9082 k = 0.2825 0.4893-0.0000 ( 3283 PWs) bands (ev): -12.0477 -12.0475 -11.6415 -11.6403 -11.3264 -11.3258 -11.2251 -11.2248 -10.7150 -10.7150 -10.7057 -10.7049 -1.7057 -1.7057 -0.9828 -0.9821 -0.5162 -0.5141 0.8953 0.8965 1.3218 1.3235 1.3354 1.3357 2.3003 2.3025 3.1403 3.1464 3.2554 3.2597 3.8804 3.8847 4.0042 4.0079 4.8745 4.8746 5.6082 5.6085 5.9622 5.9685 6.0130 6.0186 6.5080 6.5082 6.7522 6.7528 6.9198 6.9205 9.9837 9.9841 10.0700 10.0712 10.4702 10.4713 14.6442 14.6586 14.8927 14.9024 k = 0.2768 0.4795-0.0000 ( 3283 PWs) bands (ev): -12.0886 -12.0884 -11.6546 -11.6534 -11.2901 -11.2896 -11.2604 -11.2600 -10.6882 -10.6871 -10.6839 -10.6837 -1.6817 -1.6816 -0.9894 -0.9888 -0.4758 -0.4736 0.8764 0.8776 1.3276 1.3293 1.3514 1.3519 2.3200 2.3224 3.1450 3.1509 3.2744 3.2784 3.8738 3.8781 3.9872 3.9909 4.8342 4.8343 5.5845 5.5850 5.9751 5.9813 6.0309 6.0368 6.4832 6.4832 6.7566 6.7575 6.9146 6.9152 9.9649 9.9655 10.0646 10.0660 10.4707 10.4720 14.6222 14.6369 14.8827 14.8921 k = 0.2712 0.4697-0.0000 ( 3287 PWs) bands (ev): -12.1301 -12.1300 -11.6693 -11.6682 -11.2958 -11.2955 -11.2528 -11.2524 -10.6698 -10.6688 -10.6523 -10.6522 -1.6549 -1.6549 -0.9936 -0.9930 -0.4344 -0.4321 0.8581 0.8592 1.3340 1.3358 1.3676 1.3680 2.3420 2.3446 3.1496 3.1554 3.2938 3.2975 3.8694 3.8736 3.9678 3.9715 4.7931 4.7932 5.5603 5.5610 5.9844 5.9903 6.0489 6.0550 6.4565 6.4568 6.7632 6.7644 6.9071 6.9077 9.9460 9.9466 10.0584 10.0599 10.4696 10.4710 14.5991 14.6140 14.8680 14.8772 k = 0.2655 0.4599-0.0000 ( 3289 PWs) bands (ev): -12.1721 -12.1720 -11.6853 -11.6843 -11.3313 -11.3310 -11.2150 -11.2146 -10.6514 -10.6504 -10.6198 -10.6197 -1.6255 -1.6254 -0.9954 -0.9948 -0.3923 -0.3900 0.8406 0.8416 1.3414 1.3433 1.3836 1.3839 2.3661 2.3689 3.1540 3.1598 3.3134 3.3168 3.8674 3.8716 3.9461 3.9498 4.7516 4.7517 5.5354 5.5364 5.9900 5.9957 6.0666 6.0728 6.4286 6.4293 6.7716 6.7730 6.8975 6.8979 9.9271 9.9277 10.0513 10.0530 10.4667 10.4682 14.5746 14.5897 14.8488 14.8577 k = 0.2599 0.4501-0.0000 ( 3297 PWs) bands (ev): -12.2145 -12.2145 -11.7025 -11.7015 -11.3669 -11.3666 -11.1767 -11.1764 -10.6330 -10.6320 -10.5866 -10.5864 -1.5933 -1.5932 -0.9947 -0.9942 -0.3495 -0.3471 0.8242 0.8251 1.3501 1.3520 1.3990 1.3993 2.3922 2.3951 3.1580 3.1637 3.3332 3.3363 3.8679 3.8721 3.9226 3.9263 4.7098 4.7099 5.5101 5.5112 5.9920 5.9974 6.0836 6.0900 6.3999 6.4008 6.7812 6.7827 6.8858 6.8862 9.9082 9.9088 10.0434 10.0452 10.4619 10.4636 14.5485 14.5637 14.8252 14.8339 k = 0.2542 0.4404-0.0000 ( 3293 PWs) bands (ev): -12.2573 -12.2573 -11.7205 -11.7196 -11.4026 -11.4023 -11.1382 -11.1380 -10.6146 -10.6136 -10.5526 -10.5524 -1.5584 -1.5583 -0.9915 -0.9911 -0.3062 -0.3037 0.8090 0.8099 1.3602 1.3623 1.4138 1.4140 2.4200 2.4231 3.1616 3.1672 3.3531 3.3557 3.8706 3.8750 3.8980 3.9014 4.6678 4.6679 5.4841 5.4854 5.9906 5.9956 6.0996 6.1062 6.3706 6.3718 6.7916 6.7932 6.8724 6.8727 9.8893 9.8900 10.0347 10.0366 10.4554 10.4572 14.5205 14.5360 14.7976 14.8060 k = 0.2486 0.4306-0.0000 ( 3293 PWs) bands (ev): -12.3004 -12.3004 -11.7394 -11.7384 -11.4382 -11.4379 -11.0997 -11.0995 -10.5963 -10.5952 -10.5179 -10.5177 -1.5209 -1.5208 -0.9860 -0.9855 -0.2623 -0.2598 0.7952 0.7961 1.3719 1.3741 1.4277 1.4279 2.4493 2.4526 3.1645 3.1701 3.3729 3.3752 3.8679 3.8735 3.8802 3.8823 4.6259 4.6261 5.4576 5.4591 5.9859 5.9906 6.1145 6.1212 6.3408 6.3423 6.8023 6.8040 6.8573 6.8575 9.8705 9.8712 10.0250 10.0271 10.4470 10.4489 14.4905 14.5061 14.7663 14.7745 k = 0.2429 0.4208-0.0000 ( 3295 PWs) bands (ev): -12.3436 -12.3436 -11.7589 -11.7580 -11.4737 -11.4734 -11.0613 -11.0612 -10.5780 -10.5769 -10.4826 -10.4824 -1.4808 -1.4807 -0.9780 -0.9776 -0.2181 -0.2156 0.7830 0.7838 1.3855 1.3878 1.4408 1.4408 2.4798 2.4833 3.1667 3.1723 3.3927 3.3945 3.8427 3.8474 3.8866 3.8895 4.5841 4.5845 5.4306 5.4322 5.9783 5.9826 6.1278 6.1346 6.3108 6.3125 6.8129 6.8146 6.8408 6.8409 9.8517 9.8524 10.0146 10.0168 10.4369 10.4389 14.4584 14.4741 14.7318 14.7397 k = 0.2373 0.4110-0.0000 ( 3299 PWs) bands (ev): -12.3869 -12.3869 -11.7790 -11.7781 -11.5092 -11.5089 -11.0232 -11.0231 -10.5599 -10.5587 -10.4468 -10.4465 -1.4381 -1.4380 -0.9676 -0.9672 -0.1735 -0.1710 0.7725 0.7733 1.4010 1.4034 1.4527 1.4528 2.5114 2.5150 3.1682 3.1738 3.4123 3.4135 3.8151 3.8199 3.8972 3.8999 4.5428 4.5433 5.4030 5.4047 5.9678 5.9717 6.1394 6.1463 6.2807 6.2827 6.8208 6.8216 6.8250 6.8261 9.8328 9.8336 10.0034 10.0057 10.4250 10.4271 14.4239 14.4397 14.6944 14.7022 k = 0.2316 0.4012-0.0000 ( 3303 PWs) bands (ev): -12.4302 -12.4301 -11.7995 -11.7987 -11.5445 -11.5442 -10.9853 -10.9852 -10.5419 -10.5407 -10.4104 -10.4101 -1.3930 -1.3929 -0.9548 -0.9545 -0.1287 -0.1261 0.7638 0.7644 1.4186 1.4211 1.4636 1.4637 2.5436 2.5474 3.1688 3.1746 3.4318 3.4323 3.7872 3.7924 3.9102 3.9125 4.5020 4.5027 5.3748 5.3766 5.9549 5.9584 6.1489 6.1560 6.2506 6.2530 6.8034 6.8036 6.8327 6.8344 9.8137 9.8145 9.9915 9.9939 10.4116 10.4137 14.3870 14.4028 14.6549 14.6624 k = 0.2260 0.3914-0.0000 ( 3299 PWs) bands (ev): -12.4734 -12.4733 -11.8205 -11.8197 -11.5796 -11.5793 -10.9478 -10.9478 -10.5241 -10.5229 -10.3736 -10.3733 -1.3454 -1.3453 -0.9397 -0.9394 -0.0837 -0.0811 0.7569 0.7575 1.4383 1.4410 1.4734 1.4736 2.5761 2.5801 3.1687 3.1746 3.4507 3.4509 3.7596 3.7652 3.9251 3.9268 4.4620 4.4631 5.3460 5.3480 5.9396 5.9427 6.1563 6.1635 6.2207 6.2234 6.7833 6.7837 6.8408 6.8425 9.7943 9.7952 9.9791 9.9816 10.3965 10.3988 14.3477 14.3634 14.6136 14.6210 k = 0.2203 0.3816-0.0000 ( 3297 PWs) bands (ev): -12.5165 -12.5164 -11.8418 -11.8410 -11.6145 -11.6142 -10.9108 -10.9107 -10.5066 -10.5054 -10.3364 -10.3360 -1.2954 -1.2953 -0.9222 -0.9220 -0.0385 -0.0359 0.7518 0.7524 1.4602 1.4630 1.4821 1.4825 2.6086 2.6128 3.1678 3.1738 3.4686 3.4697 3.7329 3.7390 3.9414 3.9424 4.4233 4.4248 5.3165 5.3186 5.9222 5.9248 6.1614 6.1686 6.1911 6.1943 6.7625 6.7629 6.8476 6.8493 9.7744 9.7753 9.9661 9.9687 10.3801 10.3823 14.3058 14.3214 14.5713 14.5785 k = 0.2147 0.3719-0.0000 ( 3305 PWs) bands (ev): -12.5593 -12.5592 -11.8634 -11.8626 -11.6491 -11.6489 -10.8744 -10.8743 -10.4894 -10.4882 -10.2988 -10.2984 -1.2432 -1.2430 -0.9025 -0.9022 0.0068 0.0094 0.7488 0.7493 1.4834 1.4866 1.4904 1.4912 2.6407 2.6450 3.1662 3.1723 3.4857 3.4879 3.7077 3.7147 3.9583 3.9584 4.3865 4.3885 5.2864 5.2886 5.9028 5.9050 6.1613 6.1644 6.1647 6.1724 6.7410 6.7416 6.8526 6.8543 9.7538 9.7547 9.9527 9.9554 10.3623 10.3645 14.2614 14.2769 14.5285 14.5356 k = 0.2090 0.3621-0.0000 ( 3301 PWs) bands (ev): -12.6018 -12.6017 -11.8852 -11.8844 -11.6834 -11.6832 -10.8386 -10.8384 -10.4724 -10.4712 -10.2610 -10.2605 -1.1887 -1.1885 -0.8804 -0.8802 0.0521 0.0548 0.7476 0.7481 1.4959 1.4961 1.5117 1.5139 2.6718 2.6762 3.1638 3.1701 3.5014 3.5048 3.6852 3.6932 3.9737 3.9747 4.3523 4.3552 5.2556 5.2579 5.8817 5.8833 6.1333 6.1368 6.1641 6.1719 6.7190 6.7198 6.8558 6.8575 9.7322 9.7331 9.9390 9.9418 10.3433 10.3456 14.2146 14.2299 14.4858 14.4928 k = 0.2034 0.3523-0.0000 ( 3301 PWs) bands (ev): -12.6439 -12.6438 -11.9071 -11.9063 -11.7174 -11.7172 -10.8034 -10.8032 -10.4558 -10.4546 -10.2229 -10.2224 -1.1321 -1.1319 -0.8562 -0.8560 0.0976 0.1003 0.7484 0.7489 1.5019 1.5020 1.5399 1.5423 2.7013 2.7059 3.1606 3.1671 3.5147 3.5195 3.6671 3.6762 3.9869 3.9892 4.3222 4.3261 5.2240 5.2264 5.8588 5.8600 6.1054 6.1093 6.1614 6.1693 6.6967 6.6976 6.8569 6.8585 9.7094 9.7103 9.9252 9.9281 10.3234 10.3257 14.1655 14.1806 14.4439 14.4508 k = 0.1977 0.3425-0.0000 ( 3305 PWs) bands (ev): -12.6856 -12.6854 -11.9291 -11.9284 -11.7510 -11.7508 -10.7689 -10.7687 -10.4396 -10.4384 -10.1846 -10.1841 -1.0734 -1.0733 -0.8297 -0.8296 0.1432 0.1459 0.7511 0.7515 1.5068 1.5070 1.5703 1.5729 2.7288 2.7334 3.1567 3.1634 3.5240 3.5298 3.6560 3.6660 3.9956 3.9994 4.2983 4.3033 5.1916 5.1941 5.8343 5.8352 6.0784 6.0826 6.1562 6.1641 6.6741 6.6752 6.8556 6.8573 9.6850 9.6859 9.9115 9.9145 10.3027 10.3049 14.1142 14.1290 14.4032 14.4101 k = 0.1921 0.3327-0.0000 ( 3309 PWs) bands (ev): -12.7267 -12.7266 -11.9512 -11.9505 -11.7841 -11.7839 -10.7353 -10.7350 -10.4237 -10.4225 -10.1463 -10.1457 -1.0128 -1.0126 -0.8011 -0.8010 0.1888 0.1915 0.7556 0.7561 1.5109 1.5112 1.6028 1.6054 2.7536 2.7582 3.1520 3.1590 3.5278 3.5335 3.6550 3.6648 3.9974 4.0027 4.2829 4.2891 5.1584 5.1610 5.8085 5.8089 6.0522 6.0568 6.1483 6.1564 6.6514 6.6526 6.8519 6.8536 9.6587 9.6596 9.8979 9.9010 10.2814 10.2836 14.0608 14.0753 14.3644 14.3712 k = 0.1864 0.3229-0.0000 ( 3311 PWs) bands (ev): -12.7673 -12.7671 -11.9732 -11.9725 -11.8168 -11.8166 -10.7024 -10.7021 -10.4083 -10.4071 -10.1079 -10.1073 -0.9504 -0.9502 -0.7704 -0.7702 0.2346 0.2373 0.7620 0.7624 1.5144 1.5148 1.6370 1.6396 2.7751 2.7796 3.1466 3.1537 3.5260 3.5304 3.6650 3.6734 3.9905 3.9969 4.2782 4.2851 5.1244 5.1270 5.7814 5.7814 6.0270 6.0319 6.1380 6.1462 6.6284 6.6298 6.8456 6.8473 9.6300 9.6310 9.8846 9.8878 10.2599 10.2620 14.0055 14.0197 14.3279 14.3347 k = 0.1808 0.3131-0.0000 ( 3315 PWs) bands (ev): -12.8072 -12.8070 -11.9952 -11.9945 -11.8490 -11.8488 -10.6704 -10.6700 -10.3932 -10.3920 -10.0695 -10.0690 -0.8862 -0.8860 -0.7375 -0.7374 0.2805 0.2832 0.7700 0.7704 1.5174 1.5178 1.6729 1.6755 2.7926 2.7969 3.1404 3.1477 3.5207 3.5231 3.6839 3.6904 3.9746 3.9815 4.2843 4.2913 5.0893 5.0920 5.7529 5.7532 6.0027 6.0080 6.1253 6.1336 6.6053 6.6068 6.8366 6.8383 9.5987 9.5997 9.8719 9.8752 10.2383 10.2404 13.9486 13.9624 14.2943 14.3011 k = 0.1751 0.3034-0.0000 ( 3323 PWs) bands (ev): -12.8464 -12.8463 -12.0170 -12.0164 -11.8806 -11.8804 -10.6393 -10.6389 -10.3786 -10.3775 -10.0313 -10.0307 -0.8203 -0.8201 -0.7026 -0.7025 0.3266 0.3292 0.7797 0.7801 1.5201 1.5206 1.7102 1.7128 2.8057 2.8098 3.1334 3.1409 3.5142 3.5148 3.7093 3.7141 3.9513 3.9582 4.2994 4.3061 5.0533 5.0560 5.7235 5.7242 5.9795 5.9850 6.1106 6.1189 6.5820 6.5836 6.8248 6.8266 9.5644 9.5654 9.8598 9.8632 10.2169 10.2190 13.8901 13.9035 14.2640 14.2708 k = 0.1695 0.2936-0.0000 ( 3323 PWs) bands (ev): -12.8849 -12.8848 -12.0387 -12.0380 -11.9116 -11.9115 -10.6090 -10.6086 -10.3645 -10.3633 -9.9933 -9.9927 -0.7530 -0.7528 -0.6657 -0.6656 0.3729 0.3755 0.7908 0.7911 1.5226 1.5231 1.7487 1.7513 2.8140 2.8178 3.1254 3.1331 3.5072 3.5082 3.7397 3.7431 3.9226 3.9293 4.3210 4.3271 5.0163 5.0190 5.6935 5.6945 5.9573 5.9631 6.0939 6.1023 6.5584 6.5601 6.8102 6.8121 9.5267 9.5277 9.8486 9.8521 10.1961 10.1981 13.8305 13.8435 14.2374 14.2442 k = 0.1638 0.2838-0.0000 ( 3323 PWs) bands (ev): -12.9226 -12.9225 -12.0601 -12.0595 -11.9420 -11.9419 -10.5797 -10.5793 -10.3508 -10.3497 -9.9556 -9.9549 -0.6843 -0.6840 -0.6269 -0.6267 0.4194 0.4220 0.8032 0.8036 1.5250 1.5256 1.7883 1.7907 2.8175 2.8208 3.1165 3.1243 3.5012 3.5036 3.7745 3.7767 3.8905 3.8968 4.3469 4.3524 4.9782 4.9809 5.6631 5.6645 5.9361 5.9422 6.0756 6.0840 6.5345 6.5362 6.7927 6.7947 9.4853 9.4863 9.8385 9.8419 10.1761 10.1780 13.7698 13.7823 14.2147 14.2216 k = 0.1582 0.2740-0.0000 ( 3327 PWs) bands (ev): -12.9595 -12.9593 -12.0813 -12.0807 -11.9718 -11.9717 -10.5514 -10.5509 -10.3376 -10.3365 -9.9182 -9.9175 -0.6143 -0.6140 -0.5860 -0.5859 0.4662 0.4688 0.8167 0.8171 1.5276 1.5281 1.8285 1.8310 2.8163 2.8191 3.1065 3.1145 3.4970 3.5006 3.8133 3.8145 3.8565 3.8623 4.3756 4.3803 4.9391 4.9418 5.6326 5.6343 5.9158 5.9221 6.0560 6.0643 6.5100 6.5118 6.7723 6.7744 9.4400 9.4410 9.8294 9.8330 10.1570 10.1588 13.7083 13.7204 14.1964 14.2033 k = 0.1525 0.2642-0.0000 ( 3315 PWs) bands (ev): -12.9954 -12.9952 -12.1021 -12.1015 -12.0008 -12.0007 -10.5240 -10.5235 -10.3249 -10.3238 -9.8813 -9.8806 -0.5441 -0.5433 -0.5428 -0.5422 0.5133 0.5158 0.8312 0.8316 1.5304 1.5310 1.8694 1.8717 2.8106 2.8130 3.0954 3.1034 3.4947 3.4992 3.8204 3.8264 3.8561 3.8573 4.4058 4.4099 4.8989 4.9016 5.6022 5.6042 5.8964 5.9031 6.0353 6.0436 6.4851 6.4869 6.7491 6.7512 9.3906 9.3917 9.8217 9.8253 10.1390 10.1407 13.6463 13.6579 14.1826 14.1896 k = 0.1469 0.2544-0.0000 ( 3315 PWs) bands (ev): -13.0304 -13.0302 -12.1226 -12.1220 -12.0292 -12.0290 -10.4976 -10.4971 -10.3127 -10.3116 -9.8448 -9.8442 -0.4987 -0.4987 -0.4710 -0.4707 0.5607 0.5631 0.8464 0.8468 1.5336 1.5342 1.9104 1.9127 2.8009 2.8028 3.0829 3.0910 3.4939 3.4993 3.7849 3.7904 3.9023 3.9028 4.4367 4.4402 4.8578 4.8604 5.5722 5.5745 5.8779 5.8849 6.0139 6.0221 6.4596 6.4614 6.7230 6.7253 9.3371 9.3381 9.8154 9.8190 10.1222 10.1238 13.5839 13.5951 14.1735 14.1806 k = 0.1412 0.2446-0.0000 ( 3315 PWs) bands (ev): -13.0644 -13.0643 -12.1427 -12.1421 -12.0567 -12.0566 -10.4722 -10.4717 -10.3010 -10.2999 -9.8090 -9.8084 -0.4523 -0.4522 -0.3980 -0.3978 0.6084 0.6108 0.8621 0.8624 1.5373 1.5379 1.9515 1.9537 2.7878 2.7894 3.0690 3.0770 3.4943 3.5004 3.7494 3.7544 3.9519 3.9520 4.4678 4.4706 4.8159 4.8184 5.5429 5.5455 5.8602 5.8675 5.9920 6.0000 6.4334 6.4352 6.6941 6.6966 9.2794 9.2804 9.8105 9.8142 10.1067 10.1082 13.5214 13.5322 14.1692 14.1763 k = 0.1356 0.2349-0.0000 ( 3319 PWs) bands (ev): -13.0974 -13.0973 -12.1623 -12.1618 -12.0834 -12.0833 -10.4478 -10.4473 -10.2897 -10.2887 -9.7739 -9.7732 -0.4042 -0.4041 -0.3244 -0.3241 0.6563 0.6587 0.8780 0.8784 1.5416 1.5422 1.9924 1.9945 2.7719 2.7731 3.0534 3.0613 3.4958 3.5024 3.7146 3.7192 4.0040 4.0042 4.4985 4.5006 4.7735 4.7758 5.5145 5.5175 5.8433 5.8510 5.9697 5.9777 6.4065 6.4083 6.6626 6.6652 9.2176 9.2187 9.8072 9.8109 10.0924 10.0938 13.4591 13.4694 14.1698 14.1770 k = 0.1299 0.2251-0.0000 ( 3321 PWs) bands (ev): -13.1293 -13.1292 -12.1815 -12.1810 -12.1094 -12.1093 -10.4244 -10.4239 -10.2790 -10.2780 -9.7395 -9.7389 -0.3542 -0.3541 -0.2503 -0.2500 0.7045 0.7069 0.8940 0.8943 1.5467 1.5472 2.0327 2.0347 2.7539 2.7547 3.0360 3.0437 3.4979 3.5050 3.6810 3.6850 4.0583 4.0585 4.5282 4.5298 4.7310 4.7331 5.4873 5.4908 5.8272 5.8352 5.9475 5.9553 6.3790 6.3808 6.6286 6.6314 9.1519 9.1529 9.8056 9.8093 10.0794 10.0807 13.3972 13.4070 14.1753 14.1825 k = 0.1243 0.2153-0.0000 ( 3317 PWs) bands (ev): -13.1602 -13.1600 -12.2001 -12.1996 -12.1344 -12.1343 -10.4020 -10.4015 -10.2688 -10.2678 -9.7060 -9.7053 -0.3027 -0.3026 -0.1759 -0.1755 0.7529 0.7552 0.9097 0.9101 1.5524 1.5530 2.0724 2.0743 2.7341 2.7347 3.0165 3.0240 3.5007 3.5080 3.6489 3.6524 4.1136 4.1139 4.5566 4.5576 4.6892 4.6911 5.4617 5.4656 5.8118 5.8203 5.9255 5.9331 6.3508 6.3526 6.5923 6.5953 9.0825 9.0835 9.8056 9.8092 10.0676 10.0687 13.3358 13.3452 14.1856 14.1929 k = 0.1186 0.2055-0.0000 ( 3313 PWs) bands (ev): -13.1898 -13.1897 -12.2181 -12.2177 -12.1585 -12.1584 -10.3806 -10.3801 -10.2591 -10.2581 -9.6734 -9.6728 -0.2495 -0.2494 -0.1013 -0.1009 0.8015 0.8037 0.9250 0.9254 1.5589 1.5594 2.1111 2.1128 2.7133 2.7136 2.9949 3.0020 3.5038 3.5113 3.6189 3.6218 4.1683 4.1684 4.5832 4.5836 4.6499 4.6513 5.4378 5.4422 5.7972 5.8061 5.9039 5.9112 6.3220 6.3238 6.5539 6.5571 9.0096 9.0106 9.8072 9.8108 10.0569 10.0579 13.2753 13.2842 14.2006 14.2079 k = 0.1130 0.1957-0.0000 ( 3305 PWs) bands (ev): -13.2183 -13.2182 -12.2356 -12.2352 -12.1817 -12.1817 -10.3602 -10.3597 -10.2499 -10.2489 -9.6418 -9.6411 -0.1947 -0.1946 -0.0267 -0.0264 0.8501 0.8523 0.9396 0.9401 1.5660 1.5665 2.1486 2.1502 2.6918 2.6920 2.9709 2.9776 3.5072 3.5148 3.5912 3.5935 4.2187 4.2190 4.6069 4.6073 4.6167 4.6170 5.4161 5.4211 5.7833 5.7927 5.8828 5.8899 6.2928 6.2945 6.5135 6.5171 8.9335 8.9344 9.8104 9.8140 10.0472 10.0482 13.2158 13.2243 14.2202 14.2276 k = 0.1073 0.1859-0.0000 ( 3305 PWs) bands (ev): -13.2457 -13.2455 -12.2524 -12.2520 -12.2040 -12.2039 -10.3409 -10.3404 -10.2411 -10.2402 -9.6112 -9.6106 -0.1385 -0.1384 0.0475 0.0479 0.8986 0.9007 0.9534 0.9539 1.5736 1.5741 2.1846 2.1860 2.6700 2.6701 2.9446 2.9508 3.5108 3.5184 3.5663 3.5678 4.2590 4.2597 4.5926 4.5931 4.6291 4.6301 5.3967 5.4023 5.7701 5.7800 5.8624 5.8693 6.2632 6.2649 6.4716 6.4754 8.8544 8.8554 9.8151 9.8187 10.0384 10.0393 13.1574 13.1655 14.2442 14.2516 k = 0.1017 0.1761-0.0000 ( 3305 PWs) bands (ev): -13.2717 -13.2716 -12.2686 -12.2682 -12.2253 -12.2252 -10.3225 -10.3221 -10.2329 -10.2321 -9.5818 -9.5812 -0.0808 -0.0807 0.1213 0.1217 0.9469 0.9488 0.9662 0.9669 1.5816 1.5820 2.2190 2.2202 2.6485 2.6486 2.9159 2.9215 3.5146 3.5219 3.5446 3.5451 4.2801 4.2815 4.5895 4.5900 4.6476 4.6492 5.3799 5.3861 5.7576 5.7682 5.8429 5.8495 6.2333 6.2350 6.4283 6.4325 8.7729 8.7738 9.8212 9.8248 10.0306 10.0314 13.1005 13.1082 14.2723 14.2797 k = 0.0960 0.1664-0.0000 ( 3299 PWs) bands (ev): -13.2965 -13.2964 -12.2841 -12.2837 -12.2456 -12.2455 -10.3052 -10.3047 -10.2252 -10.2244 -9.5536 -9.5530 -0.0219 -0.0218 0.1944 0.1948 0.9779 0.9782 0.9947 0.9970 1.5895 1.5898 2.2515 2.2524 2.6276 2.6278 2.8851 2.8901 3.5185 3.5221 3.5256 3.5293 4.2760 4.2779 4.6118 4.6130 4.6632 4.6653 5.3659 5.3727 5.7459 5.7572 5.8244 5.8306 6.2034 6.2051 6.3840 6.3885 8.6891 8.6900 9.8287 9.8322 10.0235 10.0242 13.0452 13.0524 14.3042 14.3116 k = 0.0904 0.1566-0.0000 ( 3301 PWs) bands (ev): -13.3201 -13.3200 -12.2988 -12.2985 -12.2648 -12.2647 -10.2889 -10.2885 -10.2179 -10.2172 -9.5266 -9.5261 0.0383 0.0384 0.2665 0.2669 0.9886 0.9890 1.0419 1.0439 1.5970 1.5973 2.2819 2.2823 2.6078 2.6081 2.8524 2.8568 3.5087 3.5089 3.5228 3.5310 4.2507 4.2527 4.6559 4.6576 4.6757 4.6781 5.3548 5.3623 5.7350 5.7470 5.8070 5.8129 6.1737 6.1753 6.3390 6.3439 8.6036 8.6045 9.8373 9.8408 10.0171 10.0178 12.9916 12.9985 14.3396 14.3470 k = 0.0847 0.1468-0.0000 ( 3297 PWs) bands (ev): -13.3423 -13.3422 -12.3128 -12.3125 -12.2830 -12.2829 -10.2736 -10.2732 -10.2112 -10.2104 -9.5010 -9.5005 0.0995 0.0996 0.3374 0.3379 0.9981 0.9986 1.0880 1.0900 1.6037 1.6038 2.3097 2.3098 2.5894 2.5901 2.8182 2.8220 3.4956 3.4962 3.5269 3.5347 4.2124 4.2144 4.6837 4.6872 4.7146 4.7159 5.3466 5.3547 5.7249 5.7376 5.7908 5.7964 6.1442 6.1458 6.2937 6.2991 8.5167 8.5175 9.8470 9.8504 10.0114 10.0121 12.9401 12.9465 14.3781 14.3854 k = 0.0791 0.1370-0.0000 ( 3297 PWs) bands (ev): -13.3632 -13.3631 -12.3260 -12.3257 -12.3001 -12.3000 -10.2593 -10.2589 -10.2049 -10.2042 -9.4768 -9.4762 0.1617 0.1618 0.4069 0.4073 1.0064 1.0070 1.1329 1.1347 1.6090 1.6090 2.3343 2.3350 2.5731 2.5743 2.7831 2.7862 3.4854 3.4866 3.5311 3.5387 4.1672 4.1689 4.6895 4.6932 4.7795 4.7810 5.3412 5.3498 5.7157 5.7292 5.7761 5.7813 6.1154 6.1170 6.2484 6.2543 8.4290 8.4297 9.8575 9.8608 10.0063 10.0069 12.8907 12.8967 14.4192 14.4265 k = 0.0734 0.1272-0.0000 ( 3313 PWs) bands (ev): -13.3827 -13.3826 -12.3384 -12.3381 -12.3161 -12.3161 -10.2460 -10.2457 -10.1991 -10.1984 -9.4539 -9.4534 0.2246 0.2248 0.4746 0.4751 1.0136 1.0142 1.1761 1.1778 1.6123 1.6124 2.3558 2.3573 2.5593 2.5612 2.7477 2.7502 3.4781 3.4798 3.5352 3.5425 4.1183 4.1198 4.6919 4.6959 4.8480 4.8496 5.3384 5.3475 5.7073 5.7218 5.7631 5.7678 6.0874 6.0889 6.2035 6.2099 8.3408 8.3415 9.8687 9.8718 10.0017 10.0022 12.8436 12.8492 14.4624 14.4695 k = 0.0678 0.1174-0.0000 ( 3317 PWs) bands (ev): -13.4009 -13.4008 -12.3500 -12.3497 -12.3310 -12.3310 -10.2338 -10.2334 -10.1937 -10.1931 -9.4326 -9.4321 0.2882 0.2884 0.5402 0.5407 1.0197 1.0204 1.2171 1.2187 1.6130 1.6132 2.3738 2.3764 2.5486 2.5513 2.7126 2.7146 3.4735 3.4756 3.5391 3.5461 4.0679 4.0691 4.6913 4.6955 4.9178 4.9194 5.3380 5.3475 5.7000 5.7153 5.7520 5.7562 6.0604 6.0619 6.1593 6.1663 8.2527 8.2534 9.8803 9.8833 9.9976 9.9981 12.7991 12.8043 14.5071 14.5141 k = 0.0621 0.1076-0.0000 ( 3317 PWs) bands (ev): -13.4177 -13.4176 -12.3607 -12.3605 -12.3448 -12.3448 -10.2225 -10.2222 -10.1888 -10.1882 -9.4128 -9.4124 0.3521 0.3523 0.6036 0.6041 1.0248 1.0255 1.2555 1.2569 1.6107 1.6110 2.3884 2.3922 2.5412 2.5450 2.6785 2.6801 3.4713 3.4737 3.5426 3.5493 4.0172 4.0182 4.6882 4.6925 4.9872 4.9888 5.3394 5.3493 5.6937 5.7100 5.7432 5.7468 6.0348 6.0361 6.1162 6.1239 8.1654 8.1661 9.8921 9.8950 9.9940 9.9944 12.7572 12.7621 14.5527 14.5594 k = 0.0565 0.0979-0.0000 ( 3317 PWs) bands (ev): -13.4331 -13.4330 -12.3706 -12.3704 -12.3574 -12.3574 -10.2122 -10.2119 -10.1843 -10.1838 -9.3946 -9.3942 0.4162 0.4163 0.6642 0.6647 1.0290 1.0297 1.2907 1.2921 1.6047 1.6053 2.3998 2.4050 2.5372 2.5422 2.6462 2.6473 3.4712 3.4739 3.5454 3.5518 3.9674 3.9682 4.6830 4.6873 5.0546 5.0563 5.3425 5.3524 5.6886 5.7058 5.7371 5.7401 6.0107 6.0119 6.0746 6.0829 8.0796 8.0802 9.9040 9.9066 9.9908 9.9912 12.7183 12.7227 14.5984 14.6049 k = 0.0508 0.0881-0.0000 ( 3313 PWs) bands (ev): -13.4470 -13.4469 -12.3796 -12.3794 -12.3689 -12.3689 -10.2029 -10.2027 -10.1803 -10.1798 -9.3779 -9.3776 0.4800 0.4801 0.7218 0.7222 1.0321 1.0329 1.3224 1.3236 1.5949 1.5955 2.4090 2.4153 2.5361 2.5422 2.6162 2.6170 3.4730 3.4757 3.5473 3.5534 3.9196 3.9201 4.6761 4.6803 5.1186 5.1203 5.3466 5.3566 5.6848 5.7028 5.7343 5.7366 5.9883 5.9894 6.0349 6.0438 7.9961 7.9966 9.9156 9.9181 9.9880 9.9883 12.6824 12.6864 14.6436 14.6497 k = 0.0452 0.0783-0.0000 ( 3321 PWs) bands (ev): -13.4595 -13.4595 -12.3876 -12.3875 -12.3792 -12.3792 -10.1946 -10.1944 -10.1767 -10.1763 -9.3630 -9.3626 0.5431 0.5433 0.7759 0.7763 1.0344 1.0352 1.3501 1.3511 1.5810 1.5818 2.4170 2.4242 2.5371 2.5440 2.5892 2.5897 3.4762 3.4789 3.5478 3.5535 3.8749 3.8752 4.6680 4.6721 5.1777 5.1794 5.3515 5.3612 5.6824 5.7011 5.7353 5.7370 5.9677 5.9688 5.9972 6.0068 7.9157 7.9162 9.9268 9.9290 9.9855 9.9858 12.6498 12.6534 14.6873 14.6931 k = 0.0395 0.0685-0.0000 ( 3319 PWs) bands (ev): -13.4706 -13.4705 -12.3948 -12.3946 -12.3883 -12.3883 -10.1873 -10.1871 -10.1735 -10.1731 -9.3497 -9.3494 0.6051 0.6052 0.8261 0.8265 1.0357 1.0365 1.3735 1.3744 1.5632 1.5641 2.4249 2.4329 2.5389 2.5461 2.5655 2.5661 3.4804 3.4831 3.5465 3.5517 3.8344 3.8345 4.6594 4.6631 5.2302 5.2320 5.3567 5.3660 5.6815 5.7006 5.7406 5.7416 5.9492 5.9502 5.9621 5.9723 7.8395 7.8400 9.9373 9.9393 9.9834 9.9836 12.6206 12.6237 14.7287 14.7340 k = 0.0339 0.0587-0.0000 ( 3327 PWs) bands (ev): -13.4802 -13.4802 -12.4010 -12.4009 -12.3962 -12.3962 -10.1810 -10.1808 -10.1708 -10.1704 -9.3381 -9.3378 0.6653 0.6654 0.8718 0.8722 1.0359 1.0367 1.3924 1.3932 1.5420 1.5429 2.4336 2.4420 2.5389 2.5419 2.5469 2.5520 3.4853 3.4877 3.5431 3.5477 3.7992 3.7993 4.6506 4.6540 5.2750 5.2767 5.3619 5.3706 5.6822 5.7013 5.7504 5.7509 5.9291 5.9336 5.9336 5.9406 7.7688 7.7693 9.9469 9.9487 9.9816 9.9818 12.5949 12.5976 14.7670 14.7717 k = 0.0282 0.0489-0.0000 ( 3343 PWs) bands (ev): -13.4884 -13.4883 -12.4063 -12.4062 -12.4029 -12.4029 -10.1757 -10.1755 -10.1685 -10.1682 -9.3283 -9.3281 0.7228 0.7228 0.9124 0.9128 1.0349 1.0358 1.4070 1.4076 1.5184 1.5193 2.4433 2.4519 2.5264 2.5265 2.5434 2.5517 3.4905 3.4926 3.5373 3.5413 3.7703 3.7704 4.6421 4.6451 5.3112 5.3128 5.3670 5.3746 5.6845 5.7031 5.7642 5.7643 5.9003 5.9111 5.9192 5.9200 7.7050 7.7054 9.9555 9.9569 9.9801 9.9802 12.5729 12.5752 14.8012 14.8053 k = 0.0226 0.0391-0.0000 ( 3343 PWs) bands (ev): -13.4951 -13.4950 -12.4107 -12.4106 -12.4084 -12.4084 -10.1713 -10.1713 -10.1665 -10.1662 -9.3202 -9.3200 0.7764 0.7765 0.9473 0.9476 1.0324 1.0334 1.4177 1.4181 1.4938 1.4947 2.4540 2.4626 2.5131 2.5133 2.5430 2.5514 3.4954 3.4971 3.5297 3.5330 3.7481 3.7482 4.6346 4.6370 5.3389 5.3403 5.3716 5.3780 5.6883 5.7058 5.7804 5.7808 5.8750 5.8855 5.9074 5.9079 7.6495 7.6498 9.9627 9.9639 9.9790 9.9790 12.5548 12.5566 14.8306 14.8339 k = 0.0169 0.0294-0.0000 ( 3339 PWs) bands (ev): -13.5003 -13.5002 -12.4142 -12.4141 -12.4126 -12.4126 -10.1681 -10.1680 -10.1649 -10.1647 -9.3139 -9.3137 0.8244 0.8246 0.9757 0.9759 1.0284 1.0292 1.4248 1.4251 1.4703 1.4711 2.4651 2.4732 2.5028 2.5030 2.5416 2.5496 3.4997 3.5009 3.5214 3.5240 3.7324 3.7324 4.6283 4.6301 5.3588 5.3597 5.3756 5.3805 5.6934 5.7086 5.7971 5.7979 5.8541 5.8636 5.8978 5.8982 7.6041 7.6043 9.9685 9.9693 9.9781 9.9781 12.5406 12.5420 14.8544 14.8569 k = 0.0113 0.0196-0.0000 ( 3337 PWs) bands (ev): -13.5040 -13.5040 -12.4167 -12.4166 -12.4156 -12.4156 -10.1659 -10.1659 -10.1636 -10.1635 -9.3093 -9.3093 0.8645 0.8647 0.9967 0.9969 1.0227 1.0235 1.4292 1.4293 1.4505 1.4511 2.4758 2.4826 2.4957 2.4959 2.5396 2.5463 3.5029 3.5034 3.5141 3.5161 3.7221 3.7221 4.6236 4.6249 5.3719 5.3723 5.3789 5.3821 5.6992 5.7109 5.8116 5.8130 5.8391 5.8460 5.8905 5.8908 7.5702 7.5704 9.9727 9.9731 9.9776 9.9777 12.5305 12.5314 14.8720 14.8737 k = 0.0056 0.0098-0.0000 ( 3337 PWs) bands (ev): -13.5062 -13.5062 -12.4182 -12.4182 -12.4173 -12.4173 -10.1647 -10.1647 -10.1627 -10.1626 -9.3066 -9.3066 0.8927 0.8929 1.0096 1.0098 1.0168 1.0173 1.4312 1.4312 1.4375 1.4377 2.4845 2.4887 2.4915 2.4916 2.5381 2.5423 3.5041 3.5042 3.5100 3.5112 3.7164 3.7165 4.6208 4.6214 5.3790 5.3793 5.3816 5.3827 5.7050 5.7114 5.8205 5.8230 5.8319 5.8341 5.8857 5.8858 7.5493 7.5493 9.9749 9.9750 9.9777 9.9779 12.5245 12.5250 14.8833 14.8861 k = 0.0000 0.0000 0.0000 ( 3327 PWs) bands (ev): -13.5069 -13.5069 -12.4188 -12.4188 -12.4178 -12.4178 -10.1643 -10.1643 -10.1623 -10.1623 -9.3057 -9.3057 0.9033 0.9033 1.0137 1.0137 1.0145 1.0145 1.4307 1.4307 1.4339 1.4339 2.4896 2.4896 2.4901 2.4901 2.5390 2.5390 3.5038 3.5038 3.5097 3.5097 3.7146 3.7146 4.6200 4.6200 5.3813 5.3813 5.3828 5.3828 5.7094 5.7094 5.8235 5.8235 5.8314 5.8314 5.8840 5.8840 7.5422 7.5422 9.9754 9.9754 9.9781 9.9781 12.5227 12.5227 14.8864 14.8874 k = 0.0000 0.0000 0.0000 ( 3327 PWs) bands (ev): -13.5069 -13.5069 -12.4188 -12.4188 -12.4178 -12.4178 -10.1643 -10.1643 -10.1623 -10.1623 -9.3057 -9.3057 0.9033 0.9033 1.0137 1.0137 1.0145 1.0145 1.4307 1.4307 1.4339 1.4339 2.4896 2.4896 2.4901 2.4901 2.5390 2.5390 3.5038 3.5038 3.5097 3.5097 3.7146 3.7146 4.6200 4.6200 5.3813 5.3813 5.3828 5.3828 5.7094 5.7094 5.8235 5.8235 5.8314 5.8314 5.8840 5.8840 7.5422 7.5422 9.9754 9.9754 9.9781 9.9781 12.5227 12.5227 14.8864 14.8871 k = 0.0000 0.0000 0.0111 ( 3333 PWs) bands (ev): -13.5062 -13.5062 -12.4666 -12.4657 -12.3704 -12.3695 -10.2060 -10.2040 -10.1233 -10.1213 -9.3063 -9.3062 0.9035 0.9035 1.0117 1.0127 1.0150 1.0158 1.4019 1.4051 1.4606 1.4639 2.4438 2.4438 2.5302 2.5373 2.5385 2.5456 3.5001 3.5058 3.5089 3.5149 3.7133 3.7141 4.6211 4.6220 5.3683 5.3701 5.3937 5.3947 5.6998 5.6998 5.8103 5.8182 5.8360 5.8442 5.8866 5.8866 7.5488 7.5490 9.9272 9.9300 10.0222 10.0248 12.5231 12.5235 14.7886 14.7900 k = 0.0000 0.0000 0.0222 ( 3333 PWs) bands (ev): -13.5040 -13.5039 -12.5139 -12.5130 -12.3217 -12.3207 -10.2484 -10.2464 -10.0831 -10.0810 -9.3079 -9.3077 0.9039 0.9040 1.0093 1.0103 1.0158 1.0165 1.3744 1.3775 1.4916 1.4948 2.3998 2.3999 2.5319 2.5334 2.5889 2.5907 3.4978 3.5033 3.5156 3.5218 3.7101 3.7118 4.6250 4.6268 5.3546 5.3568 5.4053 5.4060 5.6728 5.6729 5.7965 5.8047 5.8480 5.8564 5.8930 5.8931 7.5686 7.5689 9.8778 9.8807 10.0676 10.0700 12.5248 12.5255 14.6886 14.6901 k = 0.0000 0.0000 0.0333 ( 3333 PWs) bands (ev): -13.5002 -13.5001 -12.5606 -12.5597 -12.2726 -12.2716 -10.2913 -10.2894 -10.0436 -10.0416 -9.3106 -9.3104 0.9047 0.9049 1.0062 1.0073 1.0160 1.0166 1.3481 1.3512 1.5235 1.5267 2.3581 2.3582 2.5262 2.5273 2.6411 2.6426 3.4965 3.5018 3.5241 3.5303 3.7051 3.7076 4.6318 4.6344 5.3401 5.3428 5.4162 5.4166 5.6316 5.6319 5.7826 5.7910 5.8595 5.8682 5.9007 5.9009 7.6005 7.6009 9.8271 9.8301 10.1113 10.1137 12.5279 12.5289 14.5868 14.5885 k = 0.0000 0.0000 0.0445 ( 3333 PWs) bands (ev): -13.4950 -13.4949 -12.6066 -12.6058 -12.2234 -12.2223 -10.3348 -10.3328 -10.0050 -10.0030 -9.3144 -9.3141 0.9058 0.9060 1.0026 1.0037 1.0157 1.0162 1.3233 1.3263 1.5562 1.5594 2.3188 2.3189 2.5179 2.5188 2.6950 2.6964 3.4963 3.5014 3.5344 3.5407 3.6985 3.7017 4.6413 4.6446 5.3250 5.3280 5.4265 5.4265 5.5791 5.5795 5.7685 5.7771 5.8705 5.8793 5.9081 5.9085 7.6431 7.6437 9.7754 9.7785 10.1534 10.1556 12.5324 12.5337 14.4839 14.4856 k = 0.0000 0.0000 0.0556 ( 3333 PWs) bands (ev): -13.4882 -13.4881 -12.6519 -12.6511 -12.1740 -12.1729 -10.3786 -10.3767 -9.9673 -9.9652 -9.3193 -9.3189 0.9073 0.9075 0.9986 0.9997 1.0148 1.0152 1.2999 1.3028 1.5898 1.5929 2.2820 2.2821 2.5071 2.5079 2.7502 2.7518 3.4971 3.5019 3.5470 3.5532 3.6903 3.6942 4.6533 4.6574 5.3091 5.3125 5.4359 5.4359 5.5175 5.5182 5.7544 5.7631 5.8809 5.8898 5.9147 5.9153 7.6950 7.6957 9.7226 9.7257 10.1938 10.1958 12.5387 12.5403 14.3802 14.3821 k = 0.0000 0.0000 0.0667 ( 3333 PWs) bands (ev): -13.4800 -13.4799 -12.6963 -12.6955 -12.1246 -12.1236 -10.4227 -10.4208 -9.9305 -9.9284 -9.3252 -9.3247 0.9090 0.9093 0.9940 0.9952 1.0134 1.0138 1.2780 1.2809 1.6240 1.6271 2.2476 2.2476 2.4940 2.4948 2.8065 2.8083 3.4986 3.5031 3.5619 3.5681 3.6807 3.6853 4.6676 4.6724 5.2924 5.2963 5.4398 5.4446 5.4485 5.4542 5.7405 5.7492 5.8908 5.8995 5.9203 5.9213 7.7544 7.7553 9.6687 9.6719 10.2322 10.2341 12.5468 12.5487 14.2763 14.2783 k = 0.0000 0.0000 0.0778 ( 3327 PWs) bands (ev): -13.4703 -13.4701 -12.7400 -12.7392 -12.0754 -12.0743 -10.4669 -10.4651 -9.8946 -9.8926 -9.3323 -9.3316 0.9111 0.9114 0.9891 0.9902 1.0116 1.0118 1.2578 1.2605 1.6588 1.6619 2.2156 2.2156 2.4787 2.4795 2.8635 2.8655 3.5007 3.5049 3.5796 3.5857 3.6698 3.6749 4.6840 4.6894 5.2749 5.2794 5.3726 5.3735 5.4527 5.4547 5.7268 5.7355 5.8999 5.9086 5.9252 5.9264 7.8198 7.8209 9.6139 9.6172 10.2686 10.2704 12.5573 12.5594 14.1727 14.1748 k = 0.0000 0.0000 0.0889 ( 3321 PWs) bands (ev): -13.4591 -13.4589 -12.7827 -12.7820 -12.0265 -12.0255 -10.5111 -10.5093 -9.8597 -9.8577 -9.3403 -9.3396 0.9134 0.9138 0.9838 0.9850 1.0093 1.0095 1.2391 1.2417 1.6942 1.6971 2.1862 2.1862 2.4612 2.4621 2.9207 2.9229 3.5034 3.5073 3.6004 3.6063 3.6577 3.6633 4.7024 4.7082 5.2557 5.2617 5.2929 5.2946 5.4603 5.4623 5.7134 5.7220 5.9083 5.9169 5.9294 5.9310 7.8899 7.8911 9.5581 9.5614 10.3028 10.3045 12.5702 12.5726 14.0698 14.0720 k = 0.0000 0.0000 0.1000 ( 3321 PWs) bands (ev): -13.4464 -13.4462 -12.8245 -12.8238 -11.9782 -11.9771 -10.5551 -10.5534 -9.8258 -9.8238 -9.3495 -9.3487 0.9160 0.9164 0.9783 0.9794 1.0066 1.0067 1.2222 1.2246 1.7299 1.7328 2.1591 2.1592 2.4418 2.4427 2.9775 2.9801 3.5064 3.5100 3.6248 3.6303 3.6445 3.6508 4.7223 4.7286 5.2068 5.2091 5.2410 5.2434 5.4673 5.4695 5.7005 5.7089 5.9160 5.9244 5.9331 5.9350 7.9634 7.9647 9.5014 9.5047 10.3349 10.3364 12.5859 12.5886 13.9679 13.9703 k = 0.0000 0.0000 0.1112 ( 3309 PWs) bands (ev): -13.4323 -13.4321 -12.8654 -12.8647 -11.9307 -11.9296 -10.5986 -10.5969 -9.7929 -9.7909 -9.3598 -9.3589 0.9189 0.9194 0.9727 0.9738 1.0035 1.0035 1.2068 1.2091 1.7660 1.7688 2.1346 2.1346 2.4204 2.4214 3.0334 3.0364 3.5098 3.5130 3.6304 3.6365 3.6533 3.6589 4.7436 4.7503 5.1215 5.1223 5.2201 5.2243 5.4738 5.4762 5.6881 5.6963 5.9229 5.9312 5.9365 5.9387 8.0393 8.0408 9.4436 9.4470 10.3645 10.3659 12.6049 12.6077 13.8676 13.8700 k = 0.0000 0.0000 0.1223 ( 3315 PWs) bands (ev): -13.4167 -13.4164 -12.9052 -12.9046 -11.8843 -11.8832 -10.6414 -10.6398 -9.7610 -9.7591 -9.3711 -9.3702 0.9221 0.9226 0.9671 0.9681 1.0000 1.0001 1.1931 1.1952 1.8023 1.8051 2.1124 2.1125 2.3972 2.3983 3.0876 3.0911 3.5132 3.5161 3.6153 3.6219 3.6864 3.6915 4.7660 4.7730 5.0330 5.0334 5.1997 5.2045 5.4798 5.4824 5.6764 5.6842 5.9291 5.9372 5.9395 5.9421 8.1168 8.1184 9.3849 9.3882 10.3917 10.3930 12.6272 12.6302 13.7691 13.7716 k = 0.0000 0.0000 0.1334 ( 3333 PWs) bands (ev): -13.3997 -13.3994 -12.9440 -12.9434 -11.8394 -11.8384 -10.6830 -10.6814 -9.7302 -9.7283 -9.3835 -9.3825 0.9255 0.9260 0.9616 0.9625 0.9962 0.9963 1.1811 1.1829 1.8389 1.8415 2.0927 2.0929 2.3723 2.3735 3.1394 3.1435 3.5167 3.5192 3.5995 3.6063 3.7247 3.7293 4.7892 4.7966 4.9430 4.9432 5.1788 5.1840 5.4852 5.4880 5.6654 5.6729 5.9345 5.9423 5.9424 5.9452 8.1951 8.1968 9.3250 9.3284 10.4163 10.4175 12.6534 12.6565 13.6728 13.6754 k = 0.0000 0.0000 0.1445 ( 3333 PWs) bands (ev): -13.3812 -13.3809 -12.9818 -12.9812 -11.7965 -11.7955 -10.7230 -10.7215 -9.7004 -9.6986 -9.3970 -9.3959 0.9292 0.9297 0.9564 0.9572 0.9921 0.9924 1.1706 1.1722 1.8755 1.8779 2.0754 2.0756 2.3459 2.3472 3.1883 3.1930 3.5202 3.5221 3.5828 3.5897 3.7686 3.7727 4.8120 4.8197 4.8532 4.8534 5.1573 5.1629 5.4902 5.4930 5.6554 5.6624 5.9392 5.9448 5.9469 5.9480 8.2737 8.2756 9.2641 9.2675 10.4383 10.4393 12.6835 12.6867 13.5791 13.5818 k = 0.0000 0.0000 0.1556 ( 3333 PWs) bands (ev): -13.3613 -13.3610 -13.0184 -13.0178 -11.7562 -11.7552 -10.7607 -10.7594 -9.6717 -9.6699 -9.4116 -9.4104 0.9331 0.9336 0.9515 0.9522 0.9879 0.9881 1.1616 1.1630 1.9121 1.9144 2.0604 2.0607 2.3180 2.3194 3.2339 3.2391 3.5234 3.5248 3.5655 3.5723 3.8185 3.8220 4.7591 4.7596 4.8397 4.8468 5.1352 5.1411 5.4947 5.4975 5.6464 5.6529 5.9432 5.9470 5.9505 5.9506 8.3521 8.3541 9.2021 9.2054 10.4576 10.4584 12.7180 12.7212 13.4883 13.4912 k = 0.0000 0.0000 0.1667 ( 3346 PWs) bands (ev): -13.3400 -13.3397 -13.0539 -13.0533 -11.7192 -11.7183 -10.7954 -10.7942 -9.6441 -9.6423 -9.4273 -9.4260 0.9372 0.9377 0.9472 0.9478 0.9834 0.9837 1.1542 1.1553 1.9486 1.9507 2.0478 2.0482 2.2888 2.2903 3.2757 3.2816 3.5264 3.5265 3.5477 3.5539 3.8744 3.8773 4.6685 4.6686 4.8643 4.8718 5.1125 5.1187 5.4986 5.5014 5.6386 5.6443 5.9464 5.9490 5.9528 5.9536 8.4299 8.4321 9.1388 9.1421 10.4740 10.4747 12.7569 12.7602 13.4008 13.4038 k = 0.0000 0.0000 0.1778 ( 3334 PWs) bands (ev): -13.3174 -13.3170 -13.0882 -13.0876 -11.6865 -11.6858 -10.8262 -10.8252 -9.6175 -9.6157 -9.4440 -9.4427 0.9415 0.9419 0.9435 0.9440 0.9788 0.9792 1.1482 1.1491 1.9850 1.9867 2.0375 2.0383 2.2583 2.2600 3.3140 3.3204 3.5227 3.5289 3.5343 3.5345 3.9361 3.9385 4.5781 4.5781 4.8897 4.8972 5.0892 5.0957 5.5021 5.5045 5.6321 5.6370 5.9490 5.9507 5.9548 5.9560 8.5068 8.5091 9.0743 9.0775 10.4875 10.4881 12.8004 12.8038 13.3169 13.3200 k = 0.0000 0.0000 0.1890 ( 3328 PWs) bands (ev): -13.2933 -13.2929 -13.1213 -13.1207 -11.6592 -11.6586 -10.8519 -10.8511 -9.5920 -9.5903 -9.4619 -9.4605 0.9405 0.9408 0.9459 0.9465 0.9741 0.9745 1.1436 1.1443 2.0200 2.0211 2.0296 2.0330 2.2268 2.2286 3.3488 3.3556 3.5050 3.5140 3.5311 3.5332 4.0032 4.0052 4.4886 4.4889 4.9152 4.9227 5.0655 5.0722 5.5050 5.5070 5.6271 5.6309 5.9510 5.9520 5.9565 5.9577 8.5827 8.5851 9.0084 9.0115 10.4982 10.4986 12.8486 12.8520 13.2368 13.2400 k = 0.0000 0.0000 0.2001 ( 3322 PWs) bands (ev): -13.2679 -13.2675 -13.1531 -13.1526 -11.6385 -11.6381 -10.8715 -10.8709 -9.5676 -9.5659 -9.4808 -9.4794 0.9383 0.9385 0.9504 0.9510 0.9694 0.9698 1.1403 1.1408 2.0231 2.0239 2.0568 2.0599 2.1944 2.1962 3.3805 3.3878 3.4838 3.4922 3.5327 3.5339 4.0753 4.0768 4.4008 4.4012 4.9408 4.9482 5.0412 5.0481 5.5072 5.5087 5.6236 5.6263 5.9524 5.9530 5.9578 5.9588 8.6572 8.6598 8.9411 8.9441 10.5058 10.5061 12.9017 12.9051 13.1609 13.1641 k = 0.0000 0.0000 0.2112 ( 3322 PWs) bands (ev): -13.2412 -13.2407 -13.1838 -13.1833 -11.6255 -11.6252 -10.8837 -10.8834 -9.5443 -9.5426 -9.5009 -9.4994 0.9370 0.9371 0.9551 0.9556 0.9646 0.9651 1.1385 1.1387 2.0202 2.0204 2.0921 2.0946 2.1610 2.1630 3.4095 3.4171 3.4609 3.4690 3.5338 3.5344 4.1517 4.1529 4.3150 4.3156 4.9663 4.9736 5.0166 5.0237 5.5088 5.5095 5.6217 5.6231 5.9533 5.9536 5.9588 5.9593 8.7304 8.7331 8.8723 8.8753 10.5104 10.5105 12.9595 12.9629 13.0892 13.0925 k = 0.0000 0.0000 0.2223 ( 3322 PWs) bands (ev): -13.2131 -13.2131 -13.2127 -13.2127 -11.6209 -11.6209 -10.8878 -10.8878 -9.5220 -9.5220 -9.5205 -9.5205 0.9366 0.9366 0.9598 0.9598 0.9603 0.9603 1.1379 1.1379 2.0192 2.0192 2.1269 2.1269 2.1291 2.1291 3.4362 3.4362 3.4440 3.4440 3.5344 3.5344 4.2318 4.2318 4.2327 4.2327 4.9916 4.9916 4.9988 4.9988 5.5096 5.5096 5.6216 5.6216 5.9537 5.9537 5.9593 5.9593 8.8021 8.8021 8.8049 8.8049 10.5120 10.5120 13.0220 13.0220 13.0253 13.0253 k = 0.0000 0.0000 0.2223 ( 3322 PWs) bands (ev): -13.2131 -13.2131 -13.2127 -13.2127 -11.6209 -11.6209 -10.8878 -10.8878 -9.5220 -9.5220 -9.5205 -9.5205 0.9366 0.9366 0.9598 0.9598 0.9603 0.9603 1.1379 1.1379 2.0192 2.0192 2.1269 2.1269 2.1291 2.1291 3.4362 3.4362 3.4440 3.4440 3.5344 3.5344 4.2318 4.2318 4.2327 4.2327 4.9916 4.9916 4.9988 4.9988 5.5096 5.5096 5.6216 5.6216 5.9537 5.9537 5.9593 5.9593 8.8021 8.8021 8.8049 8.8049 10.5120 10.5120 13.0220 13.0220 13.0253 13.0253 k = 0.0098 0.0057 0.2223 ( 3322 PWs) bands (ev): -13.2124 -13.2124 -13.2120 -13.2119 -11.6205 -11.6205 -10.8878 -10.8878 -9.5228 -9.5228 -9.5212 -9.5212 0.8889 0.8893 0.9584 0.9586 1.0033 1.0041 1.1356 1.1356 2.0114 2.0158 2.1275 2.1277 2.1337 2.1384 3.4337 3.4366 3.4430 3.4432 3.5353 3.5371 4.2273 4.2278 4.2308 4.2323 4.9931 4.9932 5.0004 5.0005 5.5099 5.5104 5.6222 5.6229 5.9557 5.9559 5.9616 5.9619 8.8032 8.8034 8.8062 8.8063 10.5114 10.5116 13.0219 13.0226 13.0261 13.0261 k = 0.0196 0.0113 0.2223 ( 3318 PWs) bands (ev): -13.2104 -13.2104 -13.2098 -13.2097 -11.6194 -11.6193 -10.8879 -10.8879 -9.5253 -9.5252 -9.5233 -9.5232 0.8280 0.8284 0.9537 0.9540 1.0519 1.0529 1.1291 1.1293 1.9968 2.0038 2.1268 2.1276 2.1526 2.1592 3.4285 3.4350 3.4398 3.4415 3.5400 3.5434 4.2137 4.2147 4.2274 4.2307 4.9974 4.9980 5.0051 5.0054 5.5115 5.5125 5.6249 5.6261 5.9606 5.9616 5.9696 5.9703 8.8058 8.8064 8.8106 8.8110 10.5098 10.5102 13.0208 13.0220 13.0298 13.0300 k = 0.0294 0.0170 0.2223 ( 3314 PWs) bands (ev): -13.2072 -13.2071 -13.2060 -13.2059 -11.6175 -11.6174 -10.8882 -10.8881 -9.5297 -9.5295 -9.5264 -9.5263 0.7638 0.7641 0.9458 0.9464 1.0919 1.0933 1.1218 1.1230 1.9803 1.9885 2.1256 2.1269 2.1791 2.1865 3.4200 3.4291 3.4367 3.4394 3.5488 3.5531 4.1923 4.1937 4.2226 4.2275 5.0038 5.0054 5.0129 5.0140 5.5145 5.5160 5.6298 5.6316 5.9678 5.9695 5.9838 5.9849 8.8097 8.8106 8.8188 8.8195 10.5073 10.5079 13.0183 13.0200 13.0368 13.0373 k = 0.0392 0.0226 0.2223 ( 3320 PWs) bands (ev): -13.2028 -13.2026 -13.2007 -13.2006 -11.6148 -11.6147 -10.8885 -10.8884 -9.5360 -9.5357 -9.5307 -9.5305 0.6969 0.6972 0.9349 0.9356 1.0944 1.0957 1.1432 1.1451 1.9646 1.9733 2.1235 2.1252 2.2101 2.2176 3.4085 3.4186 3.4342 3.4370 3.5614 3.5662 4.1642 4.1658 4.2163 4.2224 5.0110 5.0136 5.0245 5.0265 5.5187 5.5208 5.6373 5.6397 5.9772 5.9796 6.0031 6.0046 8.8148 8.8161 8.8306 8.8316 10.5038 10.5047 13.0150 13.0170 13.0468 13.0475 k = 0.0490 0.0283 0.2223 ( 3326 PWs) bands (ev): -13.1971 -13.1969 -13.1939 -13.1937 -11.6113 -11.6112 -10.8889 -10.8888 -9.5441 -9.5438 -9.5360 -9.5358 0.6277 0.6281 0.9210 0.9218 1.0764 1.0775 1.1761 1.1781 1.9509 1.9598 2.1202 2.1223 2.2438 2.2512 3.3941 3.4047 3.4314 3.4343 3.5774 3.5824 4.1313 4.1329 4.2084 4.2156 5.0183 5.0216 5.0400 5.0430 5.5244 5.5271 5.6477 5.6507 5.9890 5.9919 6.0265 6.0283 8.8214 8.8229 8.8461 8.8473 10.4995 10.5005 13.0108 13.0133 13.0598 13.0606 k = 0.0588 0.0340 0.2223 ( 3326 PWs) bands (ev): -13.1901 -13.1899 -13.1856 -13.1853 -11.6071 -11.6070 -10.8893 -10.8893 -9.5540 -9.5536 -9.5425 -9.5423 0.5566 0.5571 0.9041 0.9051 1.0535 1.0546 1.2046 1.2066 1.9398 1.9487 2.1154 2.1177 2.2794 2.2866 3.3772 3.3879 3.4283 3.4313 3.5964 3.6013 4.0952 4.0968 4.1989 4.2069 5.0251 5.0289 5.0589 5.0628 5.5314 5.5350 5.6612 5.6650 6.0028 6.0062 6.0530 6.0549 8.8292 8.8310 8.8652 8.8666 10.4943 10.4955 13.0061 13.0090 13.0755 13.0765 k = 0.0686 0.0396 0.2223 ( 3334 PWs) bands (ev): -13.1819 -13.1816 -13.1757 -13.1754 -11.6021 -11.6020 -10.8899 -10.8899 -9.5657 -9.5653 -9.5501 -9.5498 0.4839 0.4845 0.8844 0.8854 1.0274 1.0285 1.2274 1.2294 1.9317 1.9405 2.1086 2.1111 2.3163 2.3232 3.3579 3.3684 3.4249 3.4281 3.6173 3.6221 4.0580 4.0594 4.1879 4.1964 5.0310 5.0351 5.0807 5.0856 5.5399 5.5445 5.6783 5.6827 6.0185 6.0222 6.0815 6.0834 8.8384 8.8404 8.8879 8.8895 10.4884 10.4898 13.0009 13.0042 13.0939 13.0951 k = 0.0784 0.0453 0.2223 ( 3322 PWs) bands (ev): -13.1724 -13.1722 -13.1643 -13.1640 -11.5965 -11.5963 -10.8906 -10.8905 -9.5792 -9.5787 -9.5589 -9.5585 0.4100 0.4106 0.8619 0.8629 0.9988 0.9999 1.2442 1.2462 1.9267 1.9353 2.0996 2.1022 2.3538 2.3604 3.3367 3.3468 3.4215 3.4249 3.6390 3.6437 4.0220 4.0235 4.1755 4.1843 5.0356 5.0399 5.1049 5.1108 5.5500 5.5556 5.6990 5.7041 6.0357 6.0397 6.1111 6.1131 8.8487 8.8509 8.9143 8.9160 10.4817 10.4834 12.9956 12.9993 13.1151 13.1164 k = 0.0882 0.0509 0.2223 ( 3326 PWs) bands (ev): -13.1618 -13.1615 -13.1515 -13.1511 -11.5901 -11.5899 -10.8914 -10.8913 -9.5945 -9.5939 -9.5687 -9.5683 0.3350 0.3357 0.8367 0.8378 0.9680 0.9693 1.2551 1.2571 1.9246 1.9328 2.0882 2.0907 2.3915 2.3979 3.3139 3.3233 3.4183 3.4218 3.6593 3.6640 3.9902 3.9920 4.1619 4.1707 5.0387 5.0429 5.1310 5.1379 5.5616 5.5683 5.7234 5.7291 6.0544 6.0586 6.1410 6.1429 8.8601 8.8625 8.9443 8.9462 10.4745 10.4763 12.9903 12.9943 13.1388 13.1403 k = 0.0980 0.0566 0.2223 ( 3318 PWs) bands (ev): -13.1499 -13.1495 -13.1371 -13.1367 -11.5830 -11.5827 -10.8924 -10.8923 -9.6115 -9.6109 -9.5796 -9.5792 0.2593 0.2600 0.8089 0.8100 0.9355 0.9369 1.2606 1.2625 1.9249 1.9328 2.0742 2.0766 2.4287 2.4349 3.2898 3.2983 3.4155 3.4190 3.6751 3.6798 3.9664 3.9689 4.1472 4.1559 5.0402 5.0443 5.1585 5.1663 5.5747 5.5825 5.7515 5.7577 6.0742 6.0786 6.1705 6.1723 8.8727 8.8752 8.9779 8.9799 10.4667 10.4687 12.9852 12.9895 13.1651 13.1667 k = 0.1078 0.0623 0.2223 ( 3320 PWs) bands (ev): -13.1368 -13.1364 -13.1213 -13.1209 -11.5752 -11.5750 -10.8934 -10.8933 -9.6303 -9.6296 -9.5915 -9.5911 0.1832 0.1839 0.7788 0.7798 0.9017 0.9032 1.2611 1.2629 1.9272 1.9347 2.0574 2.0597 2.4649 2.4709 3.2647 3.2721 3.4133 3.4169 3.6828 3.6874 3.9550 3.9582 4.1318 4.1402 5.0402 5.0441 5.1871 5.1955 5.5892 5.5980 5.7829 5.7895 6.0951 6.0996 6.1989 6.2007 8.8863 8.8890 9.0150 9.0171 10.4584 10.4605 12.9807 12.9852 13.1939 13.1956 k = 0.1176 0.0679 0.2223 ( 3320 PWs) bands (ev): -13.1226 -13.1222 -13.1040 -13.1035 -11.5668 -11.5665 -10.8947 -10.8945 -9.6507 -9.6500 -9.6045 -9.6040 0.1068 0.1076 0.7464 0.7473 0.8667 0.8684 1.2572 1.2588 1.9307 1.9378 2.0380 2.0401 2.4994 2.5054 3.2390 3.2452 3.4121 3.4155 3.6800 3.6843 3.9591 3.9627 4.1160 4.1239 5.0386 5.0423 5.2161 5.2252 5.6050 5.6147 5.8174 5.8244 6.1169 6.1214 6.2260 6.2276 8.9010 8.9037 9.0553 9.0576 10.4497 10.4519 12.9768 12.9816 13.2250 13.2268 k = 0.1275 0.0736 0.2223 ( 3316 PWs) bands (ev): -13.1072 -13.1068 -13.0853 -13.0848 -11.5578 -11.5575 -10.8960 -10.8959 -9.6729 -9.6721 -9.6185 -9.6179 0.0304 0.0312 0.7118 0.7127 0.8310 0.8328 1.2495 1.2510 1.9347 1.9412 2.0161 2.0180 2.5317 2.5378 3.2130 3.2179 3.4121 3.4153 3.6679 3.6715 3.9772 3.9811 4.1003 4.1076 5.0357 5.0393 5.2453 5.2549 5.6219 5.6324 5.8546 5.8619 6.1395 6.1441 6.2513 6.2527 8.9166 8.9195 9.0989 9.1012 10.4406 10.4430 12.9739 12.9789 13.2585 13.2604 k = 0.1373 0.0792 0.2223 ( 3316 PWs) bands (ev): -13.0907 -13.0902 -13.0651 -13.0646 -11.5482 -11.5479 -10.8975 -10.8974 -9.6968 -9.6959 -9.6334 -9.6328 -0.0457 -0.0449 0.6753 0.6761 0.7947 0.7966 1.2386 1.2401 1.9378 1.9436 1.9924 1.9943 2.5612 2.5674 3.1871 3.1907 3.4136 3.4165 3.6498 3.6530 4.0046 4.0089 4.0865 4.0927 5.0316 5.0353 5.2743 5.2843 5.6397 5.6508 5.8940 5.9016 6.1630 6.1675 6.2747 6.2758 8.9333 8.9362 9.1453 9.1476 10.4311 10.4337 12.9722 12.9773 13.2943 13.2963 k = 0.1471 0.0849 0.2223 ( 3306 PWs) bands (ev): -13.0731 -13.0726 -13.0435 -13.0429 -11.5380 -11.5377 -10.8992 -10.8990 -9.7223 -9.7214 -9.6493 -9.6487 -0.1214 -0.1206 0.6368 0.6375 0.7580 0.7600 1.2251 1.2266 1.9364 1.9401 1.9704 1.9734 2.5875 2.5939 3.1618 3.1640 3.4168 3.4192 3.6292 3.6321 4.0309 4.0365 4.0817 4.0855 5.0265 5.0304 5.3028 5.3131 5.6580 5.6698 5.9350 5.9429 6.1874 6.1918 6.2961 6.2969 8.9509 8.9540 9.1943 9.1967 10.4214 10.4241 12.9719 12.9772 13.3323 13.3343 k = 0.1569 0.0906 0.2223 ( 3306 PWs) bands (ev): -13.0544 -13.0538 -13.0205 -13.0199 -11.5273 -11.5270 -10.9010 -10.9008 -9.7494 -9.7485 -9.6660 -9.6654 -0.1965 -0.1957 0.5964 0.5971 0.7211 0.7232 1.2095 1.2109 1.9196 1.9205 1.9602 1.9654 2.6103 2.6169 3.1372 3.1383 3.4216 3.4235 3.6084 3.6112 4.0346 4.0412 4.1049 4.1069 5.0207 5.0249 5.3307 5.3411 5.6767 5.6889 5.9769 5.9851 6.2127 6.2169 6.3155 6.3160 8.9696 8.9727 9.2456 9.2481 10.4115 10.4142 12.9733 12.9787 13.3724 13.3745 k = 0.1667 0.0962 0.2223 ( 3306 PWs) bands (ev): -13.0347 -13.0341 -12.9961 -12.9954 -11.5162 -11.5158 -10.9030 -10.9028 -9.7781 -9.7771 -9.6837 -9.6830 -0.2707 -0.2699 0.5542 0.5549 0.6843 0.6865 1.1921 1.1936 1.8897 1.8898 1.9598 1.9653 2.6294 2.6362 3.1135 3.1138 3.4280 3.4292 3.5888 3.5916 4.0242 4.0304 4.1461 4.1484 5.0144 5.0190 5.3578 5.3683 5.6954 5.7081 6.0189 6.0275 6.2393 6.2430 6.3329 6.3336 8.9893 8.9924 9.2989 9.3015 10.4013 10.4041 12.9766 12.9820 13.4147 13.4168 k = 0.1765 0.1019 0.2223 ( 3310 PWs) bands (ev): -13.0139 -13.0133 -12.9703 -12.9696 -11.5046 -11.5042 -10.9051 -10.9049 -9.8084 -9.8074 -9.7021 -9.7014 -0.3439 -0.3431 0.5103 0.5109 0.6478 0.6499 1.1734 1.1749 1.8544 1.8549 1.9609 1.9664 2.6451 2.6521 3.0903 3.0913 3.4353 3.4360 3.5714 3.5739 4.0119 4.0177 4.1927 4.1954 5.0079 5.0129 5.3839 5.3944 5.7140 5.7270 6.0600 6.0690 6.2674 6.2701 6.3486 6.3503 9.0101 9.0132 9.3539 9.3565 10.3909 10.3939 12.9818 12.9872 13.4590 13.4611 k = 0.1863 0.1075 0.2223 ( 3318 PWs) bands (ev): -12.9922 -12.9916 -12.9432 -12.9425 -11.4927 -11.4922 -10.9074 -10.9072 -9.8402 -9.8391 -9.7214 -9.7206 -0.4159 -0.4151 0.4646 0.4651 0.6117 0.6139 1.1537 1.1552 1.8163 1.8171 1.9618 1.9671 2.6576 2.6648 3.0683 3.0699 3.4425 3.4435 3.5567 3.5585 4.0004 4.0062 4.2414 4.2445 5.0014 5.0069 5.4092 5.4196 5.7322 5.7454 6.0994 6.1086 6.2968 6.2978 6.3634 6.3668 9.0319 9.0350 9.4101 9.4127 10.3803 10.3834 12.9893 12.9947 13.5053 13.5074 k = 0.1961 0.1132 0.2223 ( 3314 PWs) bands (ev): -12.9696 -12.9689 -12.9148 -12.9140 -11.4804 -11.4799 -10.9099 -10.9097 -9.8735 -9.8724 -9.7413 -9.7406 -0.4865 -0.4857 0.4171 0.4177 0.5762 0.5784 1.1331 1.1346 1.7761 1.7771 1.9619 1.9671 2.6676 2.6748 3.0476 3.0496 3.4485 3.4505 3.5453 3.5460 3.9908 3.9970 4.2911 4.2944 4.9952 5.0012 5.4335 5.4437 5.7499 5.7633 6.1360 6.1455 6.3249 6.3268 6.3789 6.3851 9.0548 9.0579 9.4673 9.4699 10.3696 10.3727 12.9990 13.0044 13.5535 13.5557 k = 0.2059 0.1189 0.2223 ( 3310 PWs) bands (ev): -12.9460 -12.9453 -12.8850 -12.8842 -11.4679 -11.4674 -10.9124 -10.9122 -9.9082 -9.9071 -9.7620 -9.7612 -0.5555 -0.5548 0.3680 0.3686 0.5416 0.5437 1.1119 1.1134 1.7342 1.7354 1.9612 1.9661 2.6756 2.6827 3.0279 3.0302 3.4522 3.4558 3.5361 3.5381 3.9838 3.9907 4.3407 4.3444 4.9897 4.9961 5.4569 5.4669 5.7667 5.7802 6.1692 6.1788 6.3489 6.3540 6.3990 6.4083 9.0788 9.0819 9.5250 9.5277 10.3587 10.3619 13.0113 13.0166 13.6036 13.6058 k = 0.2157 0.1245 0.2223 ( 3318 PWs) bands (ev): -12.9216 -12.9209 -12.8539 -12.8531 -11.4552 -11.4547 -10.9151 -10.9149 -9.9444 -9.9432 -9.7834 -9.7825 -0.6229 -0.6222 0.3173 0.3178 0.5078 0.5098 1.0903 1.0918 1.6910 1.6924 1.9597 1.9644 2.6823 2.6894 3.0090 3.0114 3.4527 3.4583 3.5294 3.5341 3.9800 3.9879 4.3896 4.3937 4.9852 4.9919 5.4794 5.4892 5.7827 5.7962 6.1984 6.2082 6.3677 6.3738 6.4284 6.4386 9.1038 9.1069 9.5828 9.5856 10.3477 10.3510 13.0260 13.0312 13.6556 13.6576 k = 0.2255 0.1302 0.2223 ( 3314 PWs) bands (ev): -12.8964 -12.8956 -12.8216 -12.8207 -11.4425 -11.4419 -10.9178 -10.9176 -9.9819 -9.9806 -9.8054 -9.8045 -0.6884 -0.6877 0.2651 0.2656 0.4750 0.4769 1.0685 1.0700 1.6469 1.6485 1.9573 1.9618 2.6885 2.6953 2.9908 2.9932 3.4501 3.4577 3.5250 3.5324 3.9798 3.9888 4.4370 4.4414 4.9822 4.9891 5.5011 5.5107 5.7977 5.8111 6.2237 6.2338 6.3824 6.3876 6.4658 6.4749 9.1298 9.1329 9.6406 9.6433 10.3367 10.3401 13.0433 13.0484 13.7092 13.7112 k = 0.2353 0.1358 0.2223 ( 3312 PWs) bands (ev): -12.8704 -12.8696 -12.7881 -12.7871 -11.4298 -11.4292 -10.9205 -10.9203 -10.0206 -10.0194 -9.8279 -9.8270 -0.7519 -0.7512 0.2115 0.2121 0.4432 0.4451 1.0465 1.0480 1.6023 1.6040 1.9542 1.9584 2.6948 2.7013 2.9731 2.9754 3.4455 3.4546 3.5217 3.5313 3.9834 3.9934 4.4821 4.4869 4.9812 4.9881 5.5222 5.5314 5.8115 5.8248 6.2450 6.2556 6.3952 6.3990 6.5070 6.5148 9.1569 9.1600 9.6978 9.7005 10.3256 10.3292 13.0633 13.0682 13.7645 13.7664 k = 0.2451 0.1415 0.2223 ( 3308 PWs) bands (ev): -12.8437 -12.8429 -12.7533 -12.7524 -11.4172 -11.4166 -10.9232 -10.9230 -10.0606 -10.0594 -9.8510 -9.8500 -0.8133 -0.8127 0.1567 0.1573 0.4126 0.4144 1.0245 1.0260 1.5576 1.5593 1.9504 1.9544 2.7015 2.7077 2.9557 2.9579 3.4396 3.4498 3.5181 3.5292 3.9906 4.0015 4.5239 4.5291 4.9829 4.9896 5.5427 5.5517 5.8241 5.8373 6.2627 6.2739 6.4075 6.4100 6.5500 6.5566 9.1850 9.1880 9.7540 9.7568 10.3147 10.3184 13.0859 13.0907 13.8212 13.8230 k = 0.2549 0.1472 0.2223 ( 3310 PWs) bands (ev): -12.8164 -12.8155 -12.7174 -12.7164 -11.4048 -11.4042 -10.9258 -10.9255 -10.1018 -10.1005 -9.8745 -9.8736 -0.8725 -0.8718 0.1008 0.1014 0.3831 0.3848 1.0027 1.0041 1.5130 1.5148 1.9461 1.9498 2.7093 2.7150 2.9386 2.9406 3.4332 3.4442 3.5132 3.5254 4.0008 4.0124 4.5616 4.5672 4.9880 4.9943 5.5630 5.5716 5.8355 5.8484 6.2771 6.2889 6.4201 6.4215 6.5935 6.5991 9.2139 9.2169 9.8089 9.8118 10.3041 10.3080 13.1111 13.1157 13.8792 13.8810 k = 0.2647 0.1528 0.2223 ( 3314 PWs) bands (ev): -12.7885 -12.7876 -12.6803 -12.6793 -11.3929 -11.3922 -10.9281 -10.9279 -10.1441 -10.1428 -9.8985 -9.8975 -0.9293 -0.9287 0.0441 0.0447 0.3548 0.3564 0.9810 0.9824 1.4689 1.4707 1.9412 1.9447 2.7183 2.7236 2.9217 2.9236 3.4266 3.4382 3.5066 3.5196 4.0133 4.0255 4.5942 4.6004 4.9971 5.0027 5.5830 5.5914 5.8457 5.8583 6.2885 6.3009 6.4334 6.4340 6.6366 6.6414 9.2436 9.2466 9.8620 9.8649 10.2941 10.2982 13.1390 13.1434 13.9384 13.9401 k = 0.2745 0.1585 0.2223 ( 3310 PWs) bands (ev): -12.7601 -12.7592 -12.6422 -12.6411 -11.3815 -11.3808 -10.9302 -10.9300 -10.1874 -10.1861 -9.9229 -9.9218 -0.9837 -0.9831 -0.0133 -0.0127 0.3277 0.3291 0.9597 0.9610 1.4256 1.4273 1.9359 1.9392 2.7288 2.7338 2.9051 2.9069 3.4199 3.4321 3.4985 3.5120 4.0270 4.0396 4.6213 4.6281 5.0107 5.0153 5.6032 5.6113 5.8546 5.8670 6.2974 6.3102 6.4473 6.4480 6.6788 6.6830 9.2740 9.2770 9.9125 9.9156 10.2851 10.2895 13.1694 13.1736 13.9985 14.0003 k = 0.2843 0.1641 0.2223 ( 3308 PWs) bands (ev): -12.7312 -12.7303 -12.6029 -12.6019 -11.3707 -11.3701 -10.9319 -10.9317 -10.2317 -10.2303 -9.9476 -9.9465 -1.0355 -1.0349 -0.0711 -0.0705 0.3018 0.3031 0.9387 0.9400 1.3832 1.3849 1.9302 1.9333 2.7411 2.7456 2.8887 2.8904 3.4132 3.4258 3.4890 3.5028 4.0411 4.0539 4.6426 4.6502 5.0285 5.0320 5.6238 5.6316 5.8625 5.8745 6.3041 6.3173 6.4620 6.4632 6.7197 6.7234 9.3050 9.3079 9.9597 9.9630 10.2779 10.2826 13.2024 13.2064 14.0594 14.0611 k = 0.2941 0.1698 0.2223 ( 3308 PWs) bands (ev): -12.7020 -12.7010 -12.5627 -12.5616 -11.3609 -11.3602 -10.9331 -10.9329 -10.2768 -10.2753 -9.9725 -9.9714 -1.0847 -1.0841 -0.1291 -0.1285 0.2771 0.2783 0.9182 0.9195 1.3420 1.3437 1.9242 1.9270 2.7552 2.7592 2.8727 2.8743 3.4064 3.4195 3.4784 3.4925 4.0543 4.0671 4.6588 4.6672 5.0501 5.0525 5.6450 5.6525 5.8692 5.8808 6.3092 6.3225 6.4776 6.4792 6.7589 6.7621 9.3365 9.3394 10.0021 10.0057 10.2735 10.2786 13.2378 13.2416 14.1207 14.1225 k = 0.3039 0.1755 0.2223 ( 3308 PWs) bands (ev): -12.6725 -12.6715 -12.5215 -12.5203 -11.3521 -11.3514 -10.9337 -10.9334 -10.3226 -10.3211 -9.9977 -9.9966 -1.1312 -1.1307 -0.1871 -0.1865 0.2537 0.2548 0.8983 0.8995 1.3022 1.3038 1.9179 1.9205 2.7712 2.7746 2.8572 2.8586 3.3996 3.4131 3.4672 3.4815 4.0658 4.0785 4.6707 4.6798 5.0743 5.0758 5.6670 5.6743 5.8749 5.8862 6.3129 6.3263 6.4940 6.4958 6.7961 6.7990 9.3682 9.3711 10.0379 10.0419 10.2738 10.2794 13.2755 13.2791 14.1823 14.1841 k = 0.3137 0.1811 0.2223 ( 3312 PWs) bands (ev): -12.6428 -12.6418 -12.4793 -12.4782 -11.3446 -11.3439 -10.9336 -10.9333 -10.3691 -10.3675 -10.0230 -10.0219 -1.1749 -1.1744 -0.2449 -0.2443 0.2314 0.2325 0.8790 0.8801 1.2639 1.2654 1.9115 1.9138 2.7887 2.7915 2.8427 2.8438 3.3926 3.4066 3.4558 3.4702 4.0746 4.0870 4.6796 4.6893 5.0999 5.1010 5.6902 5.6972 5.8798 5.8907 6.3155 6.3289 6.5111 6.5130 6.8311 6.8337 9.4002 9.4031 10.0649 10.0693 10.2810 10.2870 13.3155 13.3188 14.2437 14.2456 k = 0.3235 0.1868 0.2223 ( 3308 PWs) bands (ev): -12.6130 -12.6120 -12.4363 -12.4351 -11.3384 -11.3377 -10.9327 -10.9324 -10.4159 -10.4144 -10.0485 -10.0473 -1.2159 -1.2154 -0.3021 -0.3016 0.2104 0.2114 0.8603 0.8614 1.2272 1.2286 1.9048 1.9070 2.8054 2.8070 2.8319 2.8324 3.3855 3.3997 3.4446 3.4589 4.0799 4.0919 4.6866 4.6966 5.1256 5.1271 5.7146 5.7214 5.8838 5.8944 6.3172 6.3304 6.5286 6.5307 6.8638 6.8661 9.4321 9.4350 10.0818 10.0863 10.2966 10.3026 13.3576 13.3607 14.3048 14.3068 k = 0.3333 0.1925 0.2223 ( 3294 PWs) bands (ev): -12.5832 -12.5823 -12.3925 -12.3913 -11.3337 -11.3330 -10.9311 -10.9307 -10.4630 -10.4614 -10.0739 -10.0727 -1.2540 -1.2535 -0.3586 -0.3581 0.1906 0.1915 0.8424 0.8434 1.1922 1.1935 1.8981 1.9000 2.8057 2.8070 2.8386 2.8404 3.3782 3.3924 3.4339 3.4480 4.0813 4.0926 4.6928 4.7030 5.1509 5.1528 5.7403 5.7469 5.8872 5.8975 6.3180 6.3312 6.5466 6.5487 6.8940 6.8961 9.4640 9.4669 10.0891 10.0934 10.3201 10.3258 13.4016 13.4045 14.3651 14.3674 k = 0.3431 0.1981 0.2223 ( 3292 PWs) bands (ev): -12.5536 -12.5526 -12.3480 -12.3467 -11.3307 -11.3300 -10.9288 -10.9285 -10.5100 -10.5084 -10.0993 -10.0981 -1.2892 -1.2887 -0.4141 -0.4135 0.1720 0.1728 0.8252 0.8262 1.1590 1.1602 1.8913 1.8931 2.7938 2.7952 2.8606 2.8621 3.3707 3.3846 3.4240 3.4376 4.0782 4.0886 4.6989 4.7089 5.1751 5.1774 5.7673 5.7737 5.8899 5.9000 6.3182 6.3312 6.5649 6.5670 6.9216 6.9236 9.4956 9.4984 10.0889 10.0929 10.3489 10.3542 13.4475 13.4501 14.4245 14.4269 k = 0.3529 0.2038 0.2223 ( 3292 PWs) bands (ev): -12.5243 -12.5233 -12.3027 -12.3015 -11.3292 -11.3285 -10.9261 -10.9258 -10.5566 -10.5548 -10.1246 -10.1234 -1.3215 -1.3211 -0.4683 -0.4678 0.1547 0.1554 0.8088 0.8097 1.1276 1.1287 1.8845 1.8861 2.7809 2.7822 2.8864 2.8873 3.3629 3.3763 3.4152 3.4280 4.0703 4.0799 4.7054 4.7150 5.1978 5.2003 5.7954 5.8016 5.8923 5.9022 6.3176 6.3305 6.5834 6.5856 6.9466 6.9484 9.5267 9.5296 10.0837 10.0874 10.3805 10.3853 13.4950 13.4974 14.4825 14.4851 k = 0.3627 0.2094 0.2223 ( 3292 PWs) bands (ev): -12.4953 -12.4943 -12.2570 -12.2557 -11.3293 -11.3287 -10.9236 -10.9233 -10.6020 -10.6002 -10.1498 -10.1486 -1.3510 -1.3506 -0.5209 -0.5204 0.1385 0.1391 0.7933 0.7942 1.0982 1.0992 1.8778 1.8793 2.7681 2.7694 2.9144 2.9148 3.3549 3.3677 3.4075 3.4192 4.0578 4.0663 4.7124 4.7216 5.2187 5.2214 5.8242 5.8303 5.8943 5.9043 6.3164 6.3291 6.6022 6.6044 6.9689 6.9706 9.5573 9.5601 10.0752 10.0787 10.4131 10.4175 13.5439 13.5461 14.5388 14.5416 k = 0.3725 0.2151 0.2223 ( 3294 PWs) bands (ev): -12.4669 -12.4660 -12.2107 -12.2094 -11.3310 -11.3304 -10.9223 -10.9219 -10.6454 -10.6435 -10.1746 -10.1734 -1.3777 -1.3773 -0.5718 -0.5713 0.1235 0.1241 0.7788 0.7795 1.0707 1.0716 1.8713 1.8726 2.7559 2.7570 2.9438 2.9446 3.3469 3.3589 3.4008 3.4113 4.0407 4.0480 4.7201 4.7287 5.2378 5.2405 5.8529 5.8589 5.8968 5.9072 6.3144 6.3270 6.6212 6.6233 6.9884 6.9901 9.5871 9.5900 10.0647 10.0681 10.4453 10.4493 13.5941 13.5960 14.5932 14.5962 k = 0.3824 0.2208 0.2223 ( 3300 PWs) bands (ev): -12.4393 -12.4383 -12.1641 -12.1628 -11.3340 -11.3334 -10.9236 -10.9232 -10.6851 -10.6830 -10.1991 -10.1979 -1.4016 -1.4012 -0.6206 -0.6201 0.1097 0.1102 0.7651 0.7658 1.0452 1.0460 1.8649 1.8661 2.7443 2.7454 2.9746 2.9762 3.3390 3.3505 3.3950 3.4044 4.0193 4.0255 4.7283 4.7362 5.2550 5.2576 5.8783 5.8832 5.9032 5.9138 6.3117 6.3242 6.6402 6.6423 7.0054 7.0069 9.6162 9.6191 10.0530 10.0562 10.4764 10.4800 13.6451 13.6468 14.6453 14.6485 k = 0.3922 0.2264 0.2223 ( 3292 PWs) bands (ev): -12.4125 -12.4116 -12.1174 -12.1160 -11.3381 -11.3376 -10.9300 -10.9295 -10.7186 -10.7165 -10.2231 -10.2219 -1.4227 -1.4223 -0.6670 -0.6666 0.0971 0.0975 0.7524 0.7531 1.0217 1.0224 1.8589 1.8599 2.7334 2.7344 3.0066 3.0093 3.3314 3.3427 3.3900 3.3982 3.9940 3.9991 4.7369 4.7440 5.2703 5.2728 5.8916 5.8933 5.9242 5.9320 6.3083 6.3207 6.6593 6.6613 7.0196 7.0211 9.6443 9.6472 10.0404 10.0435 10.5059 10.5092 13.6967 13.6982 14.6949 14.6982 k = 0.4020 0.2321 0.2223 ( 3292 PWs) bands (ev): -12.3869 -12.3860 -12.0706 -12.0692 -11.3431 -11.3427 -10.9443 -10.9437 -10.7433 -10.7411 -10.2465 -10.2453 -1.4412 -1.4409 -0.7109 -0.7105 0.0856 0.0860 0.7407 0.7413 1.0002 1.0008 1.8531 1.8540 2.7233 2.7242 3.0396 3.0434 3.3244 3.3359 3.3855 3.3928 3.9654 3.9692 4.7455 4.7520 5.2840 5.2863 5.8940 5.8975 5.9522 5.9592 6.3041 6.3163 6.6782 6.6802 7.0314 7.0328 9.6714 9.6743 10.0272 10.0303 10.5335 10.5365 13.7485 13.7498 14.7417 14.7451 k = 0.4118 0.2377 0.2223 ( 3294 PWs) bands (ev): -12.3626 -12.3618 -12.0241 -12.0227 -11.3486 -11.3484 -10.9680 -10.9674 -10.7574 -10.7554 -10.2691 -10.2679 -1.4572 -1.4569 -0.7518 -0.7515 0.0752 0.0756 0.7300 0.7306 0.9807 0.9812 1.8477 1.8485 2.7140 2.7148 3.0730 3.0783 3.3183 3.3305 3.3816 3.3882 3.9338 3.9366 4.7541 4.7598 5.2960 5.2981 5.8949 5.8989 5.9812 5.9881 6.2990 6.3111 6.6969 6.6987 7.0407 7.0420 9.6974 9.7003 10.0137 10.0167 10.5589 10.5616 13.7999 13.8011 14.7855 14.7890 k = 0.4216 0.2434 0.2223 ( 3294 PWs) bands (ev): -12.3399 -12.3391 -11.9782 -11.9768 -11.3544 -11.3543 -10.9998 -10.9993 -10.7624 -10.7606 -10.2907 -10.2896 -1.4707 -1.4704 -0.7896 -0.7893 0.0660 0.0663 0.7204 0.7209 0.9633 0.9638 1.8427 1.8434 2.7055 2.7063 3.1061 3.1132 3.3135 3.3271 3.3783 3.3843 3.8998 3.9016 4.7622 4.7672 5.3065 5.3084 5.8953 5.8993 6.0098 6.0169 6.2930 6.3049 6.7151 6.7168 7.0477 7.0490 9.7223 9.7252 10.0000 10.0029 10.5820 10.5843 13.8505 13.8515 14.8260 14.8297 k = 0.4314 0.2491 0.2223 ( 3286 PWs) bands (ev): -12.3190 -12.3182 -11.9333 -11.9319 -11.3600 -11.3600 -11.0370 -11.0366 -10.7609 -10.7593 -10.3112 -10.3102 -1.4820 -1.4818 -0.8239 -0.8236 0.0579 0.0581 0.7119 0.7123 0.9479 0.9483 1.8382 1.8388 2.6980 2.6987 3.1379 3.1472 3.3108 3.3263 3.3755 3.3812 3.8640 3.8649 4.7698 4.7742 5.3156 5.3173 5.8956 5.8994 6.0374 6.0449 6.2861 6.2979 6.7325 6.7341 7.0528 7.0539 9.7460 9.7489 9.9860 9.9890 10.6026 10.6047 13.8994 13.9003 14.8633 14.8670 k = 0.4412 0.2547 0.2223 ( 3294 PWs) bands (ev): -12.3001 -12.2995 -11.8899 -11.8886 -11.3652 -11.3650 -11.0769 -11.0764 -10.7557 -10.7543 -10.3302 -10.3292 -1.4913 -1.4911 -0.8544 -0.8542 0.0509 0.0511 0.7044 0.7048 0.9346 0.9349 1.8343 1.8347 2.6914 2.6920 3.1671 3.1785 3.3114 3.3290 3.3735 3.3791 3.8268 3.8274 4.7767 4.7804 5.3234 5.3249 5.8957 5.8991 6.0638 6.0716 6.2783 6.2898 6.7489 6.7503 7.0560 7.0571 9.7685 9.7715 9.9720 9.9749 10.6206 10.6224 13.9459 13.9466 14.8971 14.9009 k = 0.4510 0.2604 0.2223 ( 3298 PWs) bands (ev): -12.2836 -12.2830 -11.8490 -11.8478 -11.3693 -11.3690 -11.1172 -11.1167 -10.7486 -10.7475 -10.3474 -10.3466 -1.4987 -1.4985 -0.8809 -0.8807 0.0450 0.0452 0.6981 0.6984 0.9233 0.9236 1.8308 1.8312 2.6858 2.6863 3.1916 3.2045 3.3172 3.3361 3.3726 3.3783 3.7889 3.7900 4.7828 4.7858 5.3299 5.3312 5.8958 5.8988 6.0887 6.0967 6.2696 6.2808 6.7639 6.7652 7.0577 7.0587 9.7899 9.7929 9.9577 9.9607 10.6361 10.6376 13.9888 13.9893 14.9277 14.9315 k = 0.4608 0.2660 0.2223 ( 3298 PWs) bands (ev): -12.2696 -12.2691 -11.8116 -11.8104 -11.3719 -11.3714 -11.1560 -11.1556 -10.7411 -10.7401 -10.3624 -10.3617 -1.5043 -1.5042 -0.9030 -0.9028 0.0402 0.0403 0.6929 0.6932 0.9141 0.9143 1.8280 1.8283 2.6812 2.6816 3.2101 3.2225 3.3291 3.3464 3.3742 3.3803 3.7517 3.7534 4.7880 4.7903 5.3353 5.3363 5.8959 5.8984 6.1118 6.1199 6.2601 6.2708 6.7771 6.7782 7.0583 7.0592 9.8102 9.8132 9.9433 9.9463 10.6488 10.6500 14.0269 14.0273 14.9552 14.9592 k = 0.4706 0.2717 0.2223 ( 3298 PWs) bands (ev): -12.2584 -12.2581 -11.7792 -11.7782 -11.3725 -11.3720 -11.1915 -11.1911 -10.7340 -10.7333 -10.3748 -10.3742 -1.5085 -1.5084 -0.9205 -0.9204 0.0365 0.0365 0.6889 0.6891 0.9070 0.9071 1.8257 1.8260 2.6776 2.6779 3.2225 3.2324 3.3431 3.3546 3.3817 3.3881 3.7169 3.7190 4.7921 4.7939 5.3394 5.3401 5.8961 5.8979 6.1328 6.1409 6.2500 6.2600 6.7881 6.7889 7.0583 7.0589 9.8294 9.8324 9.9287 9.9316 10.6588 10.6597 14.0588 14.0591 14.9803 14.9843 k = 0.4804 0.2774 0.2223 ( 3302 PWs) bands (ev): -12.2503 -12.2500 -11.7537 -11.7530 -11.3712 -11.3707 -11.2213 -11.2209 -10.7283 -10.7278 -10.3841 -10.3837 -1.5113 -1.5112 -0.9332 -0.9331 0.0338 0.0339 0.6860 0.6861 0.9018 0.9020 1.8241 1.8243 2.6750 2.6752 3.2301 3.2367 3.3522 3.3575 3.3963 3.4026 3.6870 3.6891 4.7952 4.7963 5.3424 5.3429 5.8962 5.8975 6.1514 6.1587 6.2401 6.2488 6.7964 6.7970 7.0579 7.0583 9.8476 9.8506 9.9137 9.9167 10.6660 10.6666 14.0830 14.0832 15.0037 15.0077 k = 0.4902 0.2830 0.2223 ( 3294 PWs) bands (ev): -12.2453 -12.2452 -11.7371 -11.7367 -11.3688 -11.3685 -11.2418 -11.2416 -10.7245 -10.7243 -10.3898 -10.3896 -1.5129 -1.5129 -0.9409 -0.9408 0.0322 0.0322 0.6843 0.6843 0.8988 0.8988 1.8232 1.8233 2.6735 2.6736 3.2346 3.2378 3.3560 3.3580 3.4118 3.4156 3.6660 3.6674 4.7972 4.7977 5.3442 5.3445 5.8965 5.8971 6.1661 6.1711 6.2326 6.2383 6.8016 6.8019 7.0575 7.0577 9.8648 9.8678 9.8985 9.9014 10.6704 10.6707 14.0982 14.0983 15.0268 15.0308 k = 0.5000 0.2887 0.2223 ( 3292 PWs) bands (ev): -12.2436 -12.2436 -11.7312 -11.7312 -11.3675 -11.3675 -11.2493 -11.2493 -10.7231 -10.7231 -10.3917 -10.3917 -1.5134 -1.5134 -0.9434 -0.9434 0.0317 0.0317 0.6837 0.6837 0.8978 0.8978 1.8229 1.8229 2.6730 2.6730 3.2370 3.2370 3.3575 3.3575 3.4196 3.4196 3.6588 3.6588 4.7980 4.7980 5.3449 5.3449 5.8968 5.8968 6.1740 6.1740 6.2316 6.2316 6.8035 6.8035 7.0574 7.0574 9.8791 9.8791 9.8878 9.8878 10.6719 10.6719 14.1035 14.1035 15.0507 15.0511 k = 0.5000 0.2887 0.2223 ( 3292 PWs) bands (ev): -12.2436 -12.2436 -11.7312 -11.7312 -11.3675 -11.3675 -11.2493 -11.2493 -10.7231 -10.7231 -10.3917 -10.3917 -1.5134 -1.5134 -0.9434 -0.9434 0.0317 0.0317 0.6837 0.6837 0.8978 0.8978 1.8229 1.8229 2.6730 2.6730 3.2370 3.2370 3.3575 3.3575 3.4196 3.4196 3.6588 3.6588 4.7980 4.7980 5.3449 5.3449 5.8968 5.8968 6.1740 6.1740 6.2316 6.2316 6.8035 6.8035 7.0574 7.0574 9.8791 9.8791 9.8878 9.8878 10.6719 10.6719 14.1035 14.1035 15.0507 15.0507 k = 0.4944 0.2983 0.2223 ( 3300 PWs) bands (ev): -12.2429 -12.2429 -11.7310 -11.7309 -11.3670 -11.3670 -11.2497 -11.2497 -10.7233 -10.7233 -10.3924 -10.3924 -1.5132 -1.5132 -0.9456 -0.9455 0.0308 0.0311 0.6831 0.6833 0.9015 0.9015 1.8137 1.8140 2.6801 2.6804 3.2396 3.2396 3.3538 3.3550 3.4184 3.4198 3.6592 3.6597 4.7998 4.7999 5.3441 5.3442 5.8951 5.8954 6.1744 6.1747 6.2326 6.2326 6.8041 6.8044 7.0569 7.0570 9.8791 9.8792 9.8886 9.8888 10.6712 10.6712 14.1033 14.1039 15.0515 15.0530 k = 0.4889 0.3079 0.2223 ( 3302 PWs) bands (ev): -12.2408 -12.2408 -11.7301 -11.7300 -11.3656 -11.3655 -11.2509 -11.2508 -10.7239 -10.7238 -10.3946 -10.3946 -1.5126 -1.5125 -0.9521 -0.9519 0.0285 0.0289 0.6817 0.6821 0.9123 0.9124 1.7877 1.7882 2.7005 2.7010 3.2475 3.2476 3.3443 3.3463 3.4164 3.4188 3.6610 3.6621 4.8052 4.8054 5.3418 5.3420 5.8907 5.8913 6.1760 6.1765 6.2355 6.2355 6.8061 6.8067 7.0556 7.0558 9.8792 9.8794 9.8911 9.8914 10.6692 10.6692 14.1033 14.1045 15.0507 15.0521 k = 0.4833 0.3175 0.2223 ( 3294 PWs) bands (ev): -12.2374 -12.2373 -11.7286 -11.7284 -11.3632 -11.3630 -11.2528 -11.2527 -10.7249 -10.7247 -10.3983 -10.3982 -1.5115 -1.5113 -0.9625 -0.9622 0.0248 0.0254 0.6799 0.6804 0.9297 0.9298 1.7475 1.7482 2.7310 2.7318 3.2608 3.2610 3.3293 3.3317 3.4136 3.4167 3.6643 3.6659 4.8138 4.8140 5.3381 5.3384 5.8839 5.8847 6.1785 6.1793 6.2402 6.2402 6.8095 6.8105 7.0534 7.0537 9.8794 9.8796 9.8954 9.8959 10.6658 10.6658 14.1035 14.1053 15.0485 15.0506 k = 0.4778 0.3272 0.2223 ( 3300 PWs) bands (ev): -12.2326 -12.2325 -11.7264 -11.7262 -11.3599 -11.3596 -11.2556 -11.2554 -10.7263 -10.7260 -10.4035 -10.4034 -1.5100 -1.5097 -0.9768 -0.9764 0.0196 0.0204 0.6781 0.6788 0.9529 0.9530 1.6967 1.6976 2.7677 2.7686 3.2787 3.2795 3.3101 3.3121 3.4102 3.4136 3.6693 3.6715 4.8248 4.8251 5.3333 5.3337 5.8754 5.8763 6.1820 6.1830 6.2462 6.2462 6.8141 6.8154 7.0503 7.0507 9.8797 9.8800 9.9014 9.9020 10.6610 10.6611 14.1039 14.1063 15.0454 15.0480 k = 0.4722 0.3368 0.2223 ( 3296 PWs) bands (ev): -12.2264 -12.2263 -11.7237 -11.7235 -11.3556 -11.3552 -11.2591 -11.2589 -10.7279 -10.7276 -10.4101 -10.4099 -1.5081 -1.5077 -0.9944 -0.9939 0.0130 0.0140 0.6768 0.6775 0.9811 0.9811 1.6384 1.6395 2.8069 2.8080 3.2800 3.2834 3.3081 3.3083 3.4061 3.4096 3.6763 3.6793 4.8376 4.8378 5.3275 5.3279 5.8658 5.8668 6.1863 6.1875 6.2534 6.2535 6.8198 6.8214 7.0464 7.0469 9.8802 9.8806 9.9091 9.9099 10.6550 10.6550 14.1044 14.1073 15.0415 15.0447 k = 0.4667 0.3464 0.2223 ( 3304 PWs) bands (ev): -12.2189 -12.2188 -11.7204 -11.7201 -11.3503 -11.3499 -11.2635 -11.2632 -10.7300 -10.7296 -10.4181 -10.4180 -1.5057 -1.5054 -1.0150 -1.0145 0.0051 0.0063 0.6761 0.6768 1.0134 1.0135 1.5752 1.5765 2.8456 2.8468 3.2527 3.2556 3.3363 3.3367 3.4014 3.4047 3.6860 3.6899 4.8511 4.8512 5.3210 5.3215 5.8559 5.8570 6.1912 6.1925 6.2614 6.2616 6.8265 6.8283 7.0416 7.0422 9.8809 9.8814 9.9184 9.9194 10.6475 10.6476 14.1049 14.1084 15.0369 15.0408 k = 0.4611 0.3560 0.2223 ( 3296 PWs) bands (ev): -12.2100 -12.2099 -11.7166 -11.7162 -11.3441 -11.3436 -11.2687 -11.2684 -10.7323 -10.7319 -10.4276 -10.4274 -1.5031 -1.5026 -1.0381 -1.0376 -0.0042 -0.0027 0.6761 0.6769 1.0492 1.0493 1.5091 1.5106 2.8821 2.8833 3.2207 3.2234 3.3689 3.3698 3.3966 3.3995 3.6993 3.7042 4.8644 4.8645 5.3143 5.3148 5.8465 5.8474 6.1966 6.1979 6.2703 6.2705 6.8338 6.8359 7.0361 7.0368 9.8821 9.8826 9.9292 9.9304 10.6387 10.6388 14.1053 14.1094 15.0320 15.0364 k = 0.4556 0.3657 0.2223 ( 3292 PWs) bands (ev): -12.1997 -12.1996 -11.7122 -11.7118 -11.3369 -11.3364 -11.2748 -11.2744 -10.7349 -10.7344 -10.4384 -10.4382 -1.5001 -1.4996 -1.0633 -1.0627 -0.0146 -0.0130 0.6770 0.6778 1.0877 1.0879 1.4417 1.4433 2.9153 2.9165 3.1862 3.1886 3.3858 3.3891 3.4077 3.4099 3.7175 3.7235 4.8764 4.8766 5.3076 5.3081 5.8382 5.8389 6.2021 6.2036 6.2798 6.2801 6.8415 6.8438 7.0297 7.0305 9.8836 9.8842 9.9415 9.9428 10.6286 10.6287 14.1056 14.1103 15.0268 15.0318 k = 0.4500 0.3753 0.2223 ( 3288 PWs) bands (ev): -12.1882 -12.1880 -11.7073 -11.7068 -11.3289 -11.3283 -11.2817 -11.2813 -10.7378 -10.7373 -10.4507 -10.4505 -1.4968 -1.4963 -1.0900 -1.0894 -0.0263 -0.0245 0.6787 0.6794 1.1284 1.1287 1.3741 1.3758 2.9450 2.9462 3.1500 3.1523 3.3796 3.3830 3.4402 3.4436 3.7422 3.7493 4.8862 4.8867 5.3016 5.3020 5.8315 5.8319 6.2077 6.2093 6.2901 6.2904 6.8494 6.8519 7.0225 7.0235 9.8858 9.8864 9.9552 9.9567 10.6172 10.6173 14.1057 14.1109 15.0215 15.0270 k = 0.4444 0.3849 0.2223 ( 3288 PWs) bands (ev): -12.1753 -12.1751 -11.7019 -11.7014 -11.3199 -11.3192 -11.2896 -11.2891 -10.7410 -10.7404 -10.4642 -10.4640 -1.4933 -1.4927 -1.1179 -1.1172 -0.0390 -0.0371 0.6810 0.6818 1.1706 1.1710 1.3072 1.3091 2.9716 2.9727 3.1131 3.1152 3.3712 3.3746 3.4702 3.4743 3.7749 3.7828 4.8932 4.8940 5.2965 5.2969 5.8267 5.8268 6.2131 6.2147 6.3012 6.3016 6.8573 6.8599 7.0146 7.0156 9.8886 9.8892 9.9701 9.9717 10.6045 10.6047 14.1056 14.1112 15.0163 15.0223 k = 0.4389 0.3945 0.2223 ( 3290 PWs) bands (ev): -12.1611 -12.1609 -11.6960 -11.6955 -11.3100 -11.3093 -11.2984 -11.2979 -10.7444 -10.7437 -10.4791 -10.4789 -1.4896 -1.4890 -1.1465 -1.1458 -0.0528 -0.0507 0.6839 0.6847 1.2138 1.2143 1.2418 1.2438 2.9955 2.9964 3.0761 3.0781 3.3617 3.3650 3.4945 3.4990 3.8158 3.8243 4.8968 4.8980 5.2931 5.2933 5.8238 5.8240 6.2181 6.2198 6.3133 6.3138 6.8649 6.8675 7.0060 7.0071 9.8921 9.8928 9.9861 9.9879 10.5906 10.5908 14.1050 14.1110 15.0115 15.0179 k = 0.4333 0.4041 0.2223 ( 3292 PWs) bands (ev): -12.1457 -12.1455 -11.6898 -11.6892 -11.3083 -11.3077 -11.2991 -11.2983 -10.7480 -10.7473 -10.4953 -10.4951 -1.4858 -1.4851 -1.1753 -1.1746 -0.0676 -0.0654 0.6873 0.6880 1.1784 1.1805 1.2575 1.2580 3.0168 3.0179 3.0402 3.0418 3.3512 3.3545 3.5124 3.5170 3.8639 3.8727 4.8967 4.8983 5.2918 5.2919 5.8228 5.8234 6.2225 6.2242 6.3266 6.3272 6.8719 6.8747 6.9967 6.9979 9.8965 9.8972 10.0031 10.0050 10.5755 10.5758 14.1041 14.1105 15.0072 15.0140 k = 0.4278 0.4138 0.2223 ( 3292 PWs) bands (ev): -12.1289 -12.1287 -11.6831 -11.6825 -11.3190 -11.3184 -11.2875 -11.2867 -10.7518 -10.7510 -10.5127 -10.5125 -1.4820 -1.4812 -1.2041 -1.2034 -0.0832 -0.0809 0.6911 0.6918 1.1177 1.1198 1.3008 1.3014 3.0044 3.0067 3.0378 3.0380 3.3396 3.3429 3.5245 3.5289 3.9172 3.9260 4.8929 4.8948 5.2931 5.2932 5.8235 5.8245 6.2260 6.2277 6.3414 6.3420 6.8782 6.8810 6.9868 6.9881 9.9019 9.9025 10.0209 10.0229 10.5593 10.5596 14.1027 14.1094 15.0037 15.0108 k = 0.4222 0.4234 0.2223 ( 3296 PWs) bands (ev): -12.1110 -12.1108 -11.6762 -11.6755 -11.3307 -11.3301 -11.2749 -11.2741 -10.7557 -10.7549 -10.5313 -10.5310 -1.4781 -1.4773 -1.2325 -1.2318 -0.0997 -0.0972 0.6951 0.6957 1.0600 1.0622 1.3434 1.3441 2.9720 2.9740 3.0563 3.0565 3.3271 3.3304 3.5317 3.5357 3.9733 3.9820 4.8853 4.8876 5.2976 5.2979 5.8255 5.8270 6.2286 6.2303 6.3578 6.3585 6.8836 6.8865 6.9764 6.9777 9.9082 9.9089 10.0393 10.0415 10.5421 10.5424 14.1009 14.1078 15.0012 15.0087 k = 0.4167 0.4330 0.2223 ( 3292 PWs) bands (ev): -12.0918 -12.0916 -11.6689 -11.6682 -11.3435 -11.3428 -11.2616 -11.2607 -10.7598 -10.7590 -10.5509 -10.5507 -1.4743 -1.4735 -1.2602 -1.2595 -0.1168 -0.1143 0.6991 0.6997 1.0057 1.0079 1.3847 1.3853 2.9422 2.9442 3.0740 3.0740 3.3136 3.3170 3.5346 3.5384 4.0301 4.0386 4.8743 4.8770 5.3059 5.3064 5.8284 5.8302 6.2301 6.2318 6.3761 6.3769 6.8879 6.8908 6.9654 6.9667 9.9156 9.9162 10.0582 10.0605 10.5239 10.5243 14.0986 14.1057 15.0000 15.0076 k = 0.4111 0.4426 0.2223 ( 3292 PWs) bands (ev): -12.0715 -12.0713 -11.6615 -11.6607 -11.3572 -11.3566 -11.2475 -11.2466 -10.7640 -10.7631 -10.5716 -10.5713 -1.4707 -1.4698 -1.2869 -1.2863 -0.1344 -0.1319 0.7031 0.7037 0.9552 0.9574 1.4240 1.4247 2.9158 2.9178 3.0907 3.0908 3.2992 3.3026 3.5342 3.5375 4.0860 4.0943 4.8602 4.8633 5.3184 5.3191 5.8315 5.8337 6.2302 6.2319 6.3963 6.3972 6.8910 6.8939 6.9539 6.9554 9.9241 9.9247 10.0774 10.0798 10.5049 10.5053 14.0959 14.1031 15.0001 15.0080 k = 0.4056 0.4523 0.2223 ( 3296 PWs) bands (ev): -12.0500 -12.0498 -11.6539 -11.6531 -11.3721 -11.3714 -11.2326 -11.2317 -10.7683 -10.7674 -10.5932 -10.5929 -1.4673 -1.4664 -1.3125 -1.3118 -0.1524 -0.1499 0.7069 0.7074 0.9086 0.9108 1.4610 1.4617 2.8935 2.8955 3.1065 3.1067 3.2840 3.2874 3.5307 3.5337 4.1397 4.1478 4.8435 4.8469 5.3354 5.3363 5.8343 5.8368 6.2289 6.2306 6.4186 6.4194 6.8928 6.8957 6.9421 6.9436 9.9337 9.9342 10.0967 10.0992 10.4852 10.4857 14.0930 14.1001 15.0019 15.0098 k = 0.4000 0.4619 0.2223 ( 3294 PWs) bands (ev): -12.0275 -12.0272 -11.6462 -11.6454 -11.3879 -11.3872 -11.2170 -11.2161 -10.7726 -10.7717 -10.6156 -10.6153 -1.4642 -1.4633 -1.3366 -1.3359 -0.1707 -0.1682 0.7104 0.7108 0.8662 0.8684 1.4951 1.4958 2.8759 2.8779 3.1215 3.1219 3.2679 3.2715 3.5246 3.5272 4.1904 4.1982 4.8248 4.8284 5.3571 5.3583 5.8364 5.8392 6.2262 6.2279 6.4428 6.4437 6.8931 6.8961 6.9299 6.9315 9.9442 9.9447 10.1158 10.1184 10.4648 10.4654 14.0898 14.0968 15.0054 15.0133 k = 0.3944 0.4715 0.2223 ( 3294 PWs) bands (ev): -12.0038 -12.0036 -11.6386 -11.6377 -11.4048 -11.4040 -11.2008 -11.1999 -10.7771 -10.7762 -10.6386 -10.6383 -1.4614 -1.4605 -1.3591 -1.3584 -0.1890 -0.1866 0.7134 0.7137 0.8282 0.8303 1.5259 1.5266 2.8632 2.8653 3.1357 3.1363 3.2512 3.2548 3.5161 3.5184 4.2374 4.2451 4.8043 4.8082 5.3834 5.3848 5.8375 5.8404 6.2220 6.2236 6.4689 6.4696 6.8920 6.8949 6.9176 6.9192 9.9558 9.9562 10.1346 10.1373 10.4440 10.4447 14.0866 14.0934 15.0108 15.0187 k = 0.3889 0.4811 0.2223 ( 3294 PWs) bands (ev): -11.9792 -11.9790 -11.6310 -11.6301 -11.4226 -11.4219 -11.1841 -11.1832 -10.7816 -10.7806 -10.6621 -10.6618 -1.4591 -1.4582 -1.3798 -1.3792 -0.2070 -0.2047 0.7157 0.7160 0.7946 0.7966 1.5531 1.5539 2.8560 2.8582 3.1489 3.1497 3.2339 3.2376 3.5057 3.5076 4.2807 4.2881 4.7825 4.7867 5.4141 5.4156 5.8371 5.8402 6.2163 6.2179 6.4964 6.4972 6.8893 6.8922 6.9051 6.9068 9.9682 9.9685 10.1528 10.1556 10.4230 10.4237 14.0833 14.0899 15.0182 15.0259 k = 0.3833 0.4907 0.2223 ( 3288 PWs) bands (ev): -11.9537 -11.9534 -11.6237 -11.6228 -11.4414 -11.4407 -11.1669 -11.1660 -10.7861 -10.7852 -10.6859 -10.6856 -1.4573 -1.4564 -1.3986 -1.3980 -0.2246 -0.2225 0.7173 0.7176 0.7654 0.7673 1.5767 1.5774 2.8542 2.8565 3.1608 3.1619 3.2162 3.2200 3.4935 3.4952 4.3202 4.3274 4.7599 4.7643 5.4486 5.4503 5.8353 5.8385 6.2092 6.2107 6.5253 6.5260 6.8851 6.8880 6.8926 6.8944 9.9813 9.9816 10.1703 10.1731 10.4019 10.4027 14.0802 14.0864 15.0277 15.0352 k = 0.3778 0.5004 0.2223 ( 3284 PWs) bands (ev): -11.9273 -11.9271 -11.6168 -11.6159 -11.4611 -11.4603 -11.1495 -11.1486 -10.7907 -10.7898 -10.7097 -10.7094 -1.4561 -1.4552 -1.4154 -1.4148 -0.2415 -0.2395 0.7180 0.7182 0.7407 0.7424 1.5965 1.5972 2.8579 2.8603 3.1710 3.1724 3.1986 3.2024 3.4801 3.4815 4.3560 4.3630 4.7367 4.7413 5.4860 5.4879 5.8319 5.8352 6.2008 6.2022 6.5550 6.5556 6.8787 6.8807 6.8812 6.8830 9.9950 9.9953 10.1869 10.1897 10.3809 10.3819 14.0774 14.0832 15.0393 15.0465 k = 0.3722 0.5100 0.2223 ( 3284 PWs) bands (ev): -11.9003 -11.9001 -11.6104 -11.6095 -11.4816 -11.4808 -11.1320 -11.1311 -10.7954 -10.7944 -10.7331 -10.7329 -1.4555 -1.4546 -1.4300 -1.4295 -0.2572 -0.2554 0.7176 0.7179 0.7203 0.7220 1.6128 1.6134 2.8667 2.8692 3.1756 3.1793 3.1847 3.1866 3.4660 3.4671 4.3886 4.3954 4.7133 4.7180 5.5256 5.5276 5.8270 5.8303 6.1914 6.1926 6.5853 6.5859 6.8674 6.8695 6.8724 6.8752 10.0090 10.0092 10.2022 10.2051 10.3604 10.3615 14.0749 14.0802 15.0530 15.0600 k = 0.3667 0.5196 0.2223 ( 3292 PWs) bands (ev): -11.8728 -11.8725 -11.6047 -11.6037 -11.5026 -11.5018 -11.1147 -11.1138 -10.8000 -10.7990 -10.7556 -10.7555 -1.4555 -1.4547 -1.4425 -1.4419 -0.2717 -0.2701 0.7041 0.7054 0.7166 0.7167 1.6257 1.6262 2.8802 2.8828 3.1616 3.1664 3.1874 3.1886 3.4518 3.4527 4.4184 4.4249 4.6898 4.6947 5.5661 5.5682 5.8206 5.8238 6.1811 6.1823 6.6157 6.6163 6.8554 6.8575 6.8635 6.8663 10.0230 10.0231 10.2162 10.2191 10.3406 10.3418 14.0729 14.0776 15.0690 15.0755 k = 0.3611 0.5292 0.2223 ( 3288 PWs) bands (ev): -11.8451 -11.8448 -11.5998 -11.5989 -11.5241 -11.5232 -11.0980 -11.0973 -10.8047 -10.8037 -10.7768 -10.7767 -1.4561 -1.4553 -1.4526 -1.4521 -0.2845 -0.2832 0.6921 0.6933 0.7142 0.7143 1.6355 1.6360 2.8974 2.9002 3.1456 3.1505 3.1900 3.1915 3.4384 3.4391 4.4457 4.4519 4.6666 4.6716 5.6064 5.6086 5.8127 5.8159 6.1706 6.1716 6.6460 6.6465 6.8437 6.8459 6.8533 6.8561 10.0365 10.0366 10.2288 10.2316 10.3219 10.3232 14.0714 14.0754 15.0871 15.0933 k = 0.3556 0.5389 0.2223 ( 3292 PWs) bands (ev): -11.8176 -11.8174 -11.5961 -11.5951 -11.5455 -11.5446 -11.0826 -11.0819 -10.8095 -10.8084 -10.7957 -10.7956 -1.4604 -1.4599 -1.4573 -1.4566 -0.2954 -0.2943 0.6840 0.6850 0.7109 0.7109 1.6428 1.6432 2.9171 2.9200 3.1314 3.1364 3.1890 3.1907 3.4266 3.4272 4.4711 4.4770 4.6437 4.6488 5.6450 5.6474 5.8035 5.8067 6.1603 6.1611 6.6757 6.6761 6.8325 6.8348 6.8417 6.8445 10.0491 10.0492 10.2396 10.2425 10.3048 10.3063 14.0704 14.0737 15.1074 15.1131 k = 0.3500 0.5485 0.2223 ( 3296 PWs) bands (ev): -11.7913 -11.7911 -11.5937 -11.5928 -11.5659 -11.5649 -11.0692 -11.0686 -10.8148 -10.8133 -10.8110 -10.8107 -1.4658 -1.4653 -1.4592 -1.4585 -0.3042 -0.3034 0.6797 0.6805 0.7064 0.7064 1.6479 1.6482 2.9374 2.9402 3.1209 3.1258 3.1834 3.1854 3.4173 3.4177 4.4947 4.5004 4.6213 4.6265 5.6805 5.6831 5.7931 5.7961 6.1510 6.1516 6.7044 6.7048 6.8220 6.8243 6.8288 6.8317 10.0601 10.0602 10.2486 10.2515 10.2899 10.2915 14.0699 14.0724 15.1297 15.1350 k = 0.3444 0.5581 0.2223 ( 3302 PWs) bands (ev): -11.7678 -11.7677 -11.5930 -11.5922 -11.5838 -11.5826 -11.0587 -11.0583 -10.8235 -10.8226 -10.8179 -10.8175 -1.4688 -1.4683 -1.4615 -1.4609 -0.3106 -0.3100 0.6790 0.6796 0.7010 0.7010 1.6512 1.6514 2.9555 2.9578 3.1166 3.1212 3.1730 3.1753 3.4109 3.4112 4.5170 4.5225 4.5996 4.6049 5.7114 5.7143 5.7815 5.7844 6.1434 6.1438 6.7316 6.7321 6.8122 6.8146 6.8151 6.8181 10.0688 10.0689 10.2557 10.2587 10.2780 10.2797 14.0698 14.0715 15.1540 15.1587 k = 0.3389 0.5677 0.2223 ( 3300 PWs) bands (ev): -11.7503 -11.7503 -11.5961 -11.5958 -11.5940 -11.5923 -11.0521 -11.0520 -10.8289 -10.8279 -10.8225 -10.8221 -1.4693 -1.4688 -1.4642 -1.4637 -0.3145 -0.3142 0.6817 0.6821 0.6947 0.6948 1.6530 1.6531 2.9678 2.9692 3.1219 3.1254 3.1579 3.1605 3.4074 3.4075 4.5382 4.5433 4.5786 4.5842 5.7361 5.7395 5.7692 5.7716 6.1384 6.1386 6.7561 6.7568 6.8009 6.8039 6.8041 6.8065 10.0744 10.0744 10.2605 10.2639 10.2701 10.2714 14.0700 14.0709 15.1801 15.1841 k = 0.3333 0.5774 0.2223 ( 3312 PWs) bands (ev): -11.7436 -11.7436 -11.5982 -11.5982 -11.5971 -11.5951 -11.0499 -11.0499 -10.8292 -10.8275 -10.8257 -10.8257 -1.4675 -1.4671 -1.4671 -1.4667 -0.3157 -0.3157 0.6870 0.6873 0.6883 0.6883 1.6536 1.6536 2.9723 2.9723 3.1369 3.1369 3.1402 3.1451 3.4064 3.4064 4.5572 4.5597 4.5597 4.5677 5.7499 5.7557 5.7596 5.7596 6.1368 6.1368 6.7700 6.7700 6.7949 6.7974 6.7974 6.8000 10.0763 10.0763 10.2619 10.2667 10.2676 10.2676 14.0704 14.0704 15.2071 15.2079 k = 0.3333 0.5774 0.2223 ( 3312 PWs) bands (ev): -11.7436 -11.7436 -11.5982 -11.5982 -11.5971 -11.5951 -11.0499 -11.0499 -10.8292 -10.8275 -10.8257 -10.8257 -1.4675 -1.4671 -1.4671 -1.4667 -0.3157 -0.3157 0.6870 0.6873 0.6883 0.6883 1.6536 1.6536 2.9723 2.9723 3.1369 3.1369 3.1402 3.1451 3.4064 3.4064 4.5572 4.5597 4.5597 4.5677 5.7499 5.7557 5.7596 5.7596 6.1368 6.1368 6.7700 6.7700 6.7949 6.7974 6.7974 6.8000 10.0763 10.0763 10.2619 10.2667 10.2676 10.2676 14.0704 14.0704 15.2071 15.2080 k = 0.3277 0.5676 0.2223 ( 3300 PWs) bands (ev): -11.7504 -11.7504 -11.6039 -11.6030 -11.5863 -11.5853 -11.0519 -11.0518 -10.8320 -10.8310 -10.8197 -10.8188 -1.4706 -1.4702 -1.4628 -1.4623 -0.3144 -0.3141 0.6799 0.6801 0.6967 0.6967 1.6530 1.6531 2.9686 2.9699 3.1154 3.1177 3.1650 3.1665 3.4072 3.4073 4.5389 4.5438 4.5781 4.5836 5.7391 5.7426 5.7661 5.7683 6.1385 6.1386 6.7587 6.7603 6.7898 6.7924 6.8130 6.8140 10.0744 10.0744 10.2623 10.2668 10.2682 10.2685 14.0700 14.0709 15.1781 15.1817 k = 0.3220 0.5578 0.2223 ( 3298 PWs) bands (ev): -11.7679 -11.7678 -11.6130 -11.6121 -11.5647 -11.5639 -11.0567 -11.0565 -10.8359 -10.8351 -10.8065 -10.8055 -1.4738 -1.4735 -1.4557 -1.4553 -0.3102 -0.3097 0.6718 0.6720 0.7084 0.7087 1.6515 1.6518 2.9610 2.9634 3.0897 3.0923 3.1976 3.1980 3.4092 3.4094 4.5203 4.5255 4.5969 4.6021 5.7238 5.7268 5.7684 5.7709 6.1433 6.1434 6.7407 6.7428 6.7852 6.7879 6.8333 6.8340 10.0690 10.0691 10.2635 10.2674 10.2695 10.2705 14.0693 14.0711 15.1465 15.1503 k = 0.3164 0.5480 0.2223 ( 3294 PWs) bands (ev): -11.7918 -11.7916 -11.6254 -11.6244 -11.5375 -11.5368 -11.0629 -11.0626 -10.8395 -10.8387 -10.7888 -10.7876 -1.4768 -1.4766 -1.4461 -1.4457 -0.3031 -0.3023 0.6635 0.6637 0.7230 0.7234 1.6492 1.6496 2.9519 2.9551 3.0622 3.0650 3.2336 3.2340 3.4119 3.4121 4.5029 4.5081 4.6147 4.6197 5.7075 5.7102 5.7643 5.7668 6.1501 6.1501 6.7210 6.7233 6.7823 6.7850 6.8524 6.8529 10.0609 10.0612 10.2619 10.2645 10.2743 10.2765 14.0682 14.0709 15.1131 15.1169 k = 0.3107 0.5382 0.2223 ( 3292 PWs) bands (ev): -11.8193 -11.8191 -11.6412 -11.6402 -11.5074 -11.5067 -11.0693 -11.0689 -10.8426 -10.8419 -10.7676 -10.7664 -1.4795 -1.4793 -1.4340 -1.4337 -0.2930 -0.2920 0.6553 0.6555 0.7400 0.7407 1.6461 1.6466 2.9426 2.9465 3.0334 3.0364 3.2713 3.2724 3.4146 3.4149 4.4866 4.4919 4.6314 4.6363 5.6905 5.6930 5.7549 5.7572 6.1572 6.1575 6.7002 6.7025 6.7811 6.7838 6.8695 6.8700 10.0512 10.0516 10.2575 10.2595 10.2817 10.2843 14.0665 14.0700 15.0781 15.0819 k = 0.3051 0.5284 0.2223 ( 3292 PWs) bands (ev): -11.8492 -11.8489 -11.6604 -11.6594 -11.4759 -11.4754 -11.0748 -11.0745 -10.8450 -10.8445 -10.7439 -10.7427 -1.4815 -1.4814 -1.4195 -1.4191 -0.2801 -0.2789 0.6473 0.6476 0.7594 0.7602 1.6422 1.6428 2.9342 2.9385 3.0040 3.0071 3.3100 3.3116 3.4171 3.4175 4.4716 4.4768 4.6469 4.6517 5.6729 5.6752 5.7417 5.7438 6.1635 6.1640 6.6785 6.6809 6.7816 6.7844 6.8844 6.8848 10.0404 10.0409 10.2509 10.2527 10.2900 10.2929 14.0638 14.0682 15.0415 15.0453 k = 0.2994 0.5186 0.2223 ( 3292 PWs) bands (ev): -11.8806 -11.8803 -11.6829 -11.6819 -11.4441 -11.4436 -11.0790 -11.0787 -10.8466 -10.8461 -10.7183 -10.7171 -1.4828 -1.4827 -1.4025 -1.4021 -0.2644 -0.2629 0.6399 0.6403 0.7810 0.7820 1.6375 1.6382 2.9269 2.9317 2.9743 2.9776 3.3489 3.3510 3.4190 3.4195 4.4578 4.4631 4.6609 4.6657 5.6548 5.6568 5.7260 5.7278 6.1679 6.1687 6.6560 6.6586 6.7838 6.7865 6.8969 6.8973 10.0291 10.0297 10.2424 10.2439 10.2986 10.3017 14.0600 14.0652 15.0034 15.0072 k = 0.2938 0.5089 0.2223 ( 3292 PWs) bands (ev): -11.9131 -11.9128 -11.7086 -11.7076 -11.4126 -11.4122 -11.0817 -11.0814 -10.8469 -10.8465 -10.6912 -10.6901 -1.4830 -1.4830 -1.3831 -1.3828 -0.2460 -0.2443 0.6333 0.6336 0.8046 0.8058 1.6319 1.6327 2.9212 2.9264 2.9449 2.9482 3.3873 3.3899 3.4202 3.4208 4.4455 4.4507 4.6732 4.6780 5.6363 5.6380 5.7090 5.7105 6.1697 6.1709 6.6330 6.6357 6.7872 6.7899 6.9069 6.9073 10.0176 10.0184 10.2321 10.2335 10.3069 10.3101 14.0548 14.0607 14.9641 14.9678 k = 0.2881 0.4991 0.2223 ( 3300 PWs) bands (ev): -11.9466 -11.9463 -11.7372 -11.7362 -11.3820 -11.3818 -11.0827 -11.0824 -10.8457 -10.8454 -10.6630 -10.6619 -1.4821 -1.4821 -1.3614 -1.3611 -0.2249 -0.2230 0.6276 0.6279 0.8300 0.8314 1.6255 1.6264 2.9141 2.9185 2.9190 2.9235 3.4190 3.4201 3.4270 3.4284 4.4345 4.4397 4.6834 4.6881 5.6175 5.6189 5.6917 5.6929 6.1686 6.1703 6.6094 6.6122 6.7916 6.7942 6.9144 6.9147 10.0063 10.0071 10.2202 10.2213 10.3145 10.3178 14.0479 14.0545 14.9235 14.9272 k = 0.2825 0.4893 0.2223 ( 3304 PWs) bands (ev): -11.9808 -11.9805 -11.7685 -11.7675 -11.3530 -11.3528 -11.0820 -11.0818 -10.8426 -10.8424 -10.6339 -10.6327 -1.4798 -1.4798 -1.3374 -1.3371 -0.2013 -0.1992 0.6231 0.6234 0.8572 0.8586 1.6182 1.6192 2.8869 2.8907 2.9156 2.9213 3.4196 3.4196 3.4620 3.4649 4.4251 4.4303 4.6912 4.6959 5.5984 5.5996 5.6750 5.6758 6.1647 6.1669 6.5854 6.5884 6.7966 6.7991 6.9193 6.9197 9.9951 9.9960 10.2068 10.2077 10.3211 10.3245 14.0391 14.0464 14.8818 14.8855 k = 0.2768 0.4795 0.2223 ( 3292 PWs) bands (ev): -12.0155 -12.0152 -11.8021 -11.8011 -11.3260 -11.3260 -11.0800 -11.0797 -10.8370 -10.8370 -10.6040 -10.6029 -1.4760 -1.4760 -1.3112 -1.3109 -0.1753 -0.1731 0.6199 0.6202 0.8858 0.8874 1.6102 1.6112 2.8596 2.8634 2.9154 2.9214 3.4177 3.4178 3.4968 3.5002 4.4173 4.4224 4.6962 4.7008 5.5793 5.5800 5.6596 5.6599 6.1581 6.1608 6.5611 6.5642 6.8017 6.8041 6.9217 6.9221 9.9841 9.9851 10.1919 10.1926 10.3266 10.3302 14.0282 14.0360 14.8391 14.8428 k = 0.2712 0.4697 0.2223 ( 3292 PWs) bands (ev): -12.0508 -12.0505 -11.8377 -11.8368 -11.3018 -11.3018 -11.0766 -11.0764 -10.8287 -10.8286 -10.5735 -10.5724 -1.4705 -1.4704 -1.2828 -1.2825 -0.1470 -0.1446 0.6182 0.6185 0.9158 0.9176 1.6014 1.6025 2.8333 2.8373 2.9169 2.9232 3.4147 3.4147 3.5299 3.5336 4.4110 4.4160 4.6980 4.7026 5.5601 5.5604 5.6457 5.6460 6.1490 6.1523 6.5365 6.5398 6.8065 6.8088 6.9216 6.9219 9.9732 9.9743 10.1757 10.1762 10.3309 10.3346 14.0148 14.0232 14.7954 14.7991 k = 0.2655 0.4599 0.2223 ( 3296 PWs) bands (ev): -12.0864 -12.0861 -11.8751 -11.8741 -11.2809 -11.2807 -11.0722 -11.0720 -10.8171 -10.8168 -10.5425 -10.5414 -1.4632 -1.4631 -1.2523 -1.2520 -0.1166 -0.1140 0.6181 0.6185 0.9471 0.9490 1.5919 1.5931 2.8083 2.8125 2.9202 2.9268 3.4104 3.4105 3.5609 3.5649 4.4064 4.4112 4.6963 4.7008 5.5409 5.5409 5.6338 5.6347 6.1378 6.1418 6.5117 6.5151 6.8106 6.8128 6.9189 6.9192 9.9624 9.9635 10.1582 10.1585 10.3340 10.3378 13.9988 14.0077 14.7510 14.7546 k = 0.2599 0.4501 0.2223 ( 3296 PWs) bands (ev): -12.1223 -12.1221 -11.9138 -11.9129 -11.2636 -11.2633 -11.0669 -11.0668 -10.8018 -10.8014 -10.5111 -10.5101 -1.4540 -1.4539 -1.2198 -1.2195 -0.0840 -0.0814 0.6198 0.6201 0.9794 0.9815 1.5820 1.5832 2.7849 2.7891 2.9251 2.9319 3.4050 3.4051 3.5898 3.5941 4.4033 4.4080 4.6908 4.6952 5.5215 5.5219 5.6244 5.6260 6.1249 6.1295 6.4867 6.4903 6.8137 6.8158 6.9138 6.9141 9.9515 9.9527 10.1396 10.1398 10.3358 10.3397 13.9801 13.9893 14.7057 14.7093 k = 0.2542 0.4404 0.2223 ( 3296 PWs) bands (ev): -12.1585 -12.1582 -11.9537 -11.9528 -11.2501 -11.2497 -11.0609 -11.0607 -10.7826 -10.7821 -10.4793 -10.4784 -1.4427 -1.4426 -1.1854 -1.1850 -0.0496 -0.0468 0.6233 0.6236 1.0128 1.0149 1.5716 1.5729 2.7631 2.7675 2.9314 2.9383 3.3983 3.3986 3.6165 3.6210 4.4017 4.4062 4.6814 4.6856 5.5023 5.5032 5.6176 5.6200 6.1107 6.1161 6.4616 6.4655 6.8154 6.8174 6.9062 6.9065 9.9403 9.9415 10.1199 10.1200 10.3364 10.3405 13.9584 13.9680 14.6599 14.6635 k = 0.2486 0.4306 0.2223 ( 3308 PWs) bands (ev): -12.1948 -12.1946 -11.9946 -11.9937 -11.2406 -11.2401 -11.0543 -11.0542 -10.7597 -10.7590 -10.4474 -10.4464 -1.4293 -1.4292 -1.1490 -1.1487 -0.0134 -0.0105 0.6287 0.6290 1.0469 1.0491 1.5611 1.5624 2.7431 2.7476 2.9388 2.9459 3.3906 3.3910 3.6410 3.6457 4.4014 4.4057 4.6679 4.6720 5.4835 5.4849 5.6133 5.6167 6.0956 6.1018 6.4364 6.4406 6.8155 6.8174 6.8963 6.8965 9.9286 9.9298 10.0991 10.0993 10.3360 10.3401 13.9337 13.9435 14.6135 14.6171 k = 0.2429 0.4208 0.2223 ( 3308 PWs) bands (ev): -12.2312 -12.2310 -12.0362 -12.0353 -11.2348 -11.2342 -11.0473 -11.0472 -10.7331 -10.7324 -10.4152 -10.4143 -1.4137 -1.4135 -1.1108 -1.1105 0.0244 0.0275 0.6360 0.6363 1.0818 1.0841 1.5506 1.5519 2.7250 2.7296 2.9472 2.9545 3.3818 3.3824 3.6632 3.6681 4.4024 4.4063 4.6503 4.6543 5.4651 5.4671 5.6115 5.6158 6.0801 6.0872 6.4113 6.4157 6.8139 6.8157 6.8842 6.8843 9.9161 9.9174 10.0774 10.0778 10.3346 10.3389 13.9059 13.9159 14.5667 14.5703 k = 0.2373 0.4110 0.2223 ( 3312 PWs) bands (ev): -12.2676 -12.2674 -12.0783 -12.0774 -11.2323 -11.2316 -11.0400 -11.0399 -10.7033 -10.7025 -10.3830 -10.3821 -1.3958 -1.3957 -1.0708 -1.0705 0.0638 0.0669 0.6452 0.6455 1.1172 1.1197 1.5403 1.5416 2.7089 2.7137 2.9563 2.9637 3.3720 3.3728 3.6833 3.6883 4.4042 4.4078 4.6289 4.6328 5.4474 5.4499 5.6115 5.6170 6.0647 6.0727 6.3861 6.3908 6.8104 6.8122 6.8699 6.8699 9.9027 9.9041 10.0548 10.0553 10.3324 10.3368 13.8751 13.8852 14.5196 14.5231 k = 0.2316 0.4012 0.2223 ( 3312 PWs) bands (ev): -12.3040 -12.3038 -12.1208 -12.1200 -11.2328 -11.2321 -11.0324 -11.0324 -10.6708 -10.6699 -10.3506 -10.3498 -1.3756 -1.3755 -1.0291 -1.0288 0.1046 0.1078 0.6563 0.6567 1.1531 1.1557 1.5304 1.5317 2.6949 2.6998 2.9660 2.9734 3.3614 3.3624 3.7015 3.7065 4.4068 4.4100 4.6038 4.6075 5.4303 5.4334 5.6129 5.6195 6.0499 6.0589 6.3610 6.3660 6.8050 6.8067 6.8535 6.8535 9.8881 9.8895 10.0314 10.0321 10.3297 10.3341 13.8413 13.8515 14.4722 14.4758 k = 0.2260 0.3914 0.2223 ( 3316 PWs) bands (ev): -12.3403 -12.3401 -12.1635 -12.1627 -11.2359 -11.2352 -11.0248 -11.0248 -10.6359 -10.6349 -10.3183 -10.3175 -1.3531 -1.3530 -0.9858 -0.9855 0.1465 0.1498 0.6692 0.6696 1.1894 1.1921 1.5211 1.5224 2.6830 2.6880 2.9759 2.9834 3.3500 3.3513 3.7179 3.7230 4.4096 4.4124 4.5752 4.5789 5.4140 5.4176 5.6149 5.6227 6.0363 6.0464 6.3358 6.3412 6.7976 6.7992 6.8351 6.8351 9.8719 9.8734 10.0072 10.0080 10.3266 10.3311 13.8046 13.8149 14.4246 14.4282 k = 0.2203 0.3816 0.2223 ( 3320 PWs) bands (ev): -12.3764 -12.3762 -12.2063 -12.2055 -11.2412 -11.2404 -11.0171 -11.0171 -10.5991 -10.5981 -10.2861 -10.2853 -1.3282 -1.3281 -0.9410 -0.9407 0.1896 0.1929 0.6839 0.6842 1.2260 1.2288 1.5128 1.5141 2.6732 2.6783 2.9859 2.9934 3.3381 3.3396 3.7328 3.7378 4.4125 4.4148 4.5436 4.5471 5.3985 5.4028 5.6167 5.6256 6.0245 6.0356 6.3108 6.3165 6.7881 6.7897 6.8149 6.8150 9.8541 9.8556 9.9822 9.9831 10.3235 10.3280 13.7653 13.7756 14.3770 14.3806 k = 0.2147 0.3719 0.2223 ( 3316 PWs) bands (ev): -12.4123 -12.4121 -12.2491 -12.2483 -11.2483 -11.2475 -11.0095 -11.0095 -10.5609 -10.5599 -10.2539 -10.2532 -1.3010 -1.3008 -0.8946 -0.8943 0.2335 0.2370 0.7001 0.7004 1.2628 1.2656 1.5057 1.5069 2.6656 2.6708 2.9957 3.0032 3.3258 3.3275 3.7464 3.7514 4.4150 4.4169 4.5091 4.5126 5.3840 5.3889 5.6174 5.6275 6.0151 6.0271 6.2858 6.2919 6.7766 6.7782 6.7931 6.7933 9.8342 9.8358 9.9565 9.9575 10.3204 10.3249 13.7238 13.7340 14.3293 14.3330 k = 0.2090 0.3621 0.2223 ( 3312 PWs) bands (ev): -12.4480 -12.4478 -12.2917 -12.2910 -11.2568 -11.2561 -11.0020 -11.0019 -10.5216 -10.5205 -10.2219 -10.2213 -1.2713 -1.2712 -0.8468 -0.8465 0.2782 0.2818 0.7177 0.7180 1.2997 1.3026 1.5000 1.5012 2.6601 2.6655 3.0053 3.0127 3.3132 3.3151 3.7590 3.7638 4.4168 4.4182 4.4723 4.4755 5.3705 5.3761 5.6164 5.6274 6.0087 6.0215 6.2608 6.2673 6.7629 6.7642 6.7702 6.7703 9.8123 9.8139 9.9300 9.9311 10.3176 10.3221 13.6802 13.6903 14.2818 14.2854 k = 0.2034 0.3523 0.2223 ( 3304 PWs) bands (ev): -12.4833 -12.4831 -12.3341 -12.3333 -11.2667 -11.2659 -10.9946 -10.9945 -10.4814 -10.4803 -10.1902 -10.1895 -1.2393 -1.2391 -0.7976 -0.7973 0.3235 0.3271 0.7365 0.7368 1.3366 1.3396 1.4960 1.4972 2.6566 2.6621 3.0144 3.0218 3.3006 3.3028 3.7707 3.7753 4.4169 4.4185 4.4339 4.4365 5.3580 5.3642 5.6130 5.6246 6.0058 6.0191 6.2358 6.2427 6.7437 6.7439 6.7494 6.7506 9.7880 9.7898 9.9026 9.9038 10.3154 10.3199 13.6350 13.6451 14.2343 14.2380 k = 0.1977 0.3425 0.2223 ( 3308 PWs) bands (ev): -12.5183 -12.5181 -12.3761 -12.3754 -11.2775 -11.2768 -10.9873 -10.9873 -10.4406 -10.4395 -10.1587 -10.1581 -1.2049 -1.2047 -0.7471 -0.7468 0.3693 0.3729 0.7562 0.7565 1.3735 1.3765 1.4940 1.4952 2.6550 2.6607 3.0230 3.0302 3.2882 3.2908 3.7818 3.7861 4.3908 4.3948 4.4181 4.4186 5.3464 5.3533 5.6067 5.6187 6.0063 6.0198 6.2108 6.2181 6.7181 6.7186 6.7318 6.7331 9.7615 9.7633 9.8744 9.8757 10.3137 10.3182 13.5887 13.5986 14.1870 14.1907 k = 0.1921 0.3327 0.2223 ( 3304 PWs) bands (ev): -12.5528 -12.5526 -12.4177 -12.4170 -11.2892 -11.2885 -10.9803 -10.9802 -10.3995 -10.3984 -10.1275 -10.1269 -1.1681 -1.1680 -0.6953 -0.6950 0.4153 0.4190 0.7765 0.7768 1.4102 1.4132 1.4944 1.4955 2.6553 2.6611 3.0309 3.0379 3.2764 3.2792 3.7923 3.7963 4.3484 4.3521 4.4158 4.4165 5.3358 5.3433 5.5975 5.6095 6.0101 6.0236 6.1858 6.1935 6.6911 6.6918 6.7129 6.7143 9.7325 9.7344 9.8454 9.8468 10.3128 10.3172 13.5417 13.5514 14.1399 14.1436 k = 0.1864 0.3229 0.2223 ( 3292 PWs) bands (ev): -12.5869 -12.5867 -12.4588 -12.4581 -11.3016 -11.3009 -10.9735 -10.9734 -10.3582 -10.3571 -10.0967 -10.0961 -1.1290 -1.1289 -0.6422 -0.6419 0.4615 0.4652 0.7971 0.7974 1.4468 1.4498 1.4974 1.4984 2.6571 2.6630 3.0382 3.0450 3.2654 3.2685 3.8025 3.8061 4.3041 4.3078 4.4121 4.4133 5.3260 5.3342 5.5854 5.5973 6.0168 6.0299 6.1607 6.1688 6.6633 6.6640 6.6926 6.6940 9.7014 9.7033 9.8155 9.8170 10.3127 10.3171 13.4943 13.5039 14.0930 14.0967 k = 0.1808 0.3131 0.2223 ( 3290 PWs) bands (ev): -12.6204 -12.6203 -12.4994 -12.4987 -11.3145 -11.3138 -10.9670 -10.9669 -10.3168 -10.3158 -10.0663 -10.0657 -1.0877 -1.0875 -0.5880 -0.5877 0.5076 0.5113 0.8176 0.8179 1.4830 1.4859 1.5034 1.5042 2.6602 2.6662 3.0449 3.0513 3.2555 3.2590 3.8123 3.8154 4.2586 4.2623 4.4067 4.4085 5.3171 5.3259 5.5707 5.5823 6.0256 6.0382 6.1354 6.1439 6.6348 6.6356 6.6709 6.6722 9.6679 9.6700 9.7847 9.7862 10.3135 10.3178 13.4472 13.4566 14.0463 14.0500 k = 0.1751 0.3034 0.2223 ( 3296 PWs) bands (ev): -12.6534 -12.6533 -12.5392 -12.5385 -11.3279 -11.3272 -10.9607 -10.9606 -10.2757 -10.2746 -10.0363 -10.0358 -1.0440 -1.0439 -0.5327 -0.5324 0.5535 0.5572 0.8377 0.8380 1.5119 1.5128 1.5191 1.5222 2.6643 2.6705 3.0509 3.0570 3.2472 3.2510 3.8217 3.8244 4.2120 4.2157 4.3998 4.4021 5.3087 5.3181 5.5538 5.5649 6.0358 6.0478 6.1099 6.1188 6.6058 6.6067 6.6480 6.6493 9.6325 9.6347 9.7530 9.7545 10.3151 10.3193 13.4008 13.4100 13.9999 14.0036 k = 0.1695 0.2936 0.2223 ( 3304 PWs) bands (ev): -12.6858 -12.6856 -12.5783 -12.5777 -11.3416 -11.3409 -10.9547 -10.9546 -10.2348 -10.2337 -10.0069 -10.0064 -0.9982 -0.9980 -0.4763 -0.4760 0.5991 0.6028 0.8571 0.8574 1.5244 1.5252 1.5543 1.5574 2.6691 2.6754 3.0564 3.0622 3.2410 3.2450 3.8308 3.8329 4.1645 4.1684 4.3912 4.3940 5.3009 5.3108 5.5352 5.5457 6.0464 6.0577 6.0842 6.0936 6.5766 6.5775 6.6242 6.6255 9.5952 9.5975 9.7202 9.7218 10.3176 10.3217 13.3554 13.3644 13.9538 13.9574 k = 0.1638 0.2838 0.2223 ( 3296 PWs) bands (ev): -12.7175 -12.7174 -12.6167 -12.6161 -11.3555 -11.3548 -10.9490 -10.9489 -10.1943 -10.1932 -9.9780 -9.9775 -0.9502 -0.9500 -0.4189 -0.4185 0.6442 0.6478 0.8754 0.8757 1.5402 1.5409 1.5890 1.5920 2.6742 2.6805 3.0615 3.0668 3.2372 3.2415 3.8394 3.8410 4.1165 4.1204 4.3812 4.3845 5.2934 5.3037 5.5151 5.5251 6.0553 6.0597 6.0644 6.0708 6.5473 6.5483 6.5996 6.6009 9.5564 9.5587 9.6864 9.6880 10.3208 10.3249 13.3116 13.3204 13.9080 13.9115 k = 0.1582 0.2740 0.2223 ( 3298 PWs) bands (ev): -12.7485 -12.7484 -12.6542 -12.6536 -11.3696 -11.3689 -10.9437 -10.9435 -10.1543 -10.1532 -9.9496 -9.9492 -0.9001 -0.8999 -0.3605 -0.3601 0.6886 0.6922 0.8925 0.8928 1.5595 1.5600 1.6230 1.6259 2.6790 2.6855 3.0663 3.0711 3.2363 3.2409 3.8475 3.8484 4.0681 4.0721 4.3697 4.3735 5.2861 5.2968 5.4939 5.5033 6.0315 6.0411 6.0664 6.0766 6.5182 6.5191 6.5747 6.5759 9.5162 9.5186 9.6517 9.6533 10.3249 10.3288 13.2696 13.2782 13.8624 13.8660 k = 0.1525 0.2642 0.2223 ( 3302 PWs) bands (ev): -12.7788 -12.7787 -12.6908 -12.6902 -11.3837 -11.3831 -10.9386 -10.9384 -10.1149 -10.1139 -9.9219 -9.9215 -0.8479 -0.8477 -0.3012 -0.3008 0.7323 0.7359 0.9081 0.9085 1.5822 1.5825 1.6561 1.6588 2.6833 2.6897 3.0710 3.0753 3.2388 3.2436 3.8550 3.8551 4.0195 4.0237 4.3569 4.3612 5.2788 5.2899 5.4719 5.4808 6.0047 6.0146 6.0737 6.0832 6.4894 6.4902 6.5497 6.5510 9.4749 9.4774 9.6159 9.6175 10.3297 10.3335 13.2298 13.2383 13.8172 13.8207 k = 0.1469 0.2544 0.2223 ( 3306 PWs) bands (ev): -12.8083 -12.8082 -12.7265 -12.7259 -11.3979 -11.3973 -10.9338 -10.9336 -10.0762 -10.0752 -9.8949 -9.8945 -0.7938 -0.7936 -0.2410 -0.2407 0.7751 0.7786 0.9223 0.9227 1.6081 1.6082 1.6880 1.6906 2.6864 2.6928 3.0758 3.0795 3.2451 3.2500 3.8610 3.8615 3.9710 3.9754 4.3431 4.3478 5.2714 5.2827 5.4493 5.4578 5.9776 5.9876 6.0785 6.0873 6.4610 6.4617 6.5251 6.5264 9.4329 9.4354 9.5791 9.5807 10.3351 10.3389 13.1926 13.2009 13.7723 13.7757 k = 0.1412 0.2446 0.2223 ( 3310 PWs) bands (ev): -12.8370 -12.8369 -12.7612 -12.7606 -11.4120 -11.4114 -10.9293 -10.9291 -10.0383 -10.0373 -9.8686 -9.8682 -0.7377 -0.7375 -0.1801 -0.1798 0.8169 0.8203 0.9351 0.9355 1.6368 1.6368 1.7185 1.7210 2.6881 2.6944 3.0808 3.0838 3.2556 3.2605 3.8658 3.8670 3.9230 3.9275 4.3285 4.3335 5.2638 5.2752 5.4265 5.4344 5.9501 5.9602 6.0800 6.0882 6.4331 6.4337 6.5013 6.5025 9.3904 9.3930 9.5414 9.5430 10.3412 10.3449 13.1581 13.1662 13.7278 13.7311 k = 0.1356 0.2349 0.2223 ( 3306 PWs) bands (ev): -12.8649 -12.8648 -12.7948 -12.7943 -11.4259 -11.4254 -10.9251 -10.9249 -10.0012 -10.0003 -9.8430 -9.8427 -0.6798 -0.6796 -0.1186 -0.1182 0.8577 0.8609 0.9465 0.9469 1.6678 1.6681 1.7475 1.7497 2.6880 2.6942 3.0863 3.0887 3.2703 3.2753 3.8692 3.8702 3.8758 3.8815 4.3133 4.3185 5.2558 5.2673 5.4035 5.4110 5.9223 5.9323 6.0776 6.0852 6.4059 6.4062 6.4785 6.4797 9.3478 9.3505 9.5028 9.5044 10.3479 10.3515 13.1266 13.1345 13.6837 13.6869 k = 0.1299 0.2251 0.2223 ( 3312 PWs) bands (ev): -12.8919 -12.8918 -12.8274 -12.8269 -11.4397 -11.4392 -10.9212 -10.9210 -9.9651 -9.9642 -9.8182 -9.8179 -0.6201 -0.6199 -0.0564 -0.0560 0.8973 0.9004 0.9566 0.9571 1.7008 1.7013 1.7747 1.7765 2.6859 2.6919 3.0925 3.0941 3.2893 3.2943 3.8296 3.8340 3.8712 3.8745 4.2977 4.3032 5.2475 5.2589 5.3805 5.3876 5.8943 5.9041 6.0708 6.0779 6.3793 6.3794 6.4571 6.4583 9.3054 9.3081 9.4634 9.4650 10.3550 10.3585 13.0982 13.1059 13.6401 13.6432 k = 0.1243 0.2153 0.2223 ( 3308 PWs) bands (ev): -12.9180 -12.9179 -12.8589 -12.8584 -11.4533 -11.4528 -10.9176 -10.9174 -9.9301 -9.9292 -9.7942 -9.7939 -0.5587 -0.5585 0.0063 0.0067 0.9356 0.9384 0.9657 0.9662 1.7353 1.7361 1.7998 1.8013 2.6816 2.6873 3.0996 3.1005 3.3125 3.3174 3.7853 3.7899 3.8714 3.8753 4.2822 4.2877 5.2386 5.2499 5.3576 5.3644 5.8662 5.8757 6.0596 6.0662 6.3532 6.3534 6.4371 6.4382 9.2635 9.2662 9.4234 9.4250 10.3626 10.3660 13.0730 13.0805 13.5971 13.6000 k = 0.1186 0.2055 0.2223 ( 3304 PWs) bands (ev): -12.9431 -12.9430 -12.8891 -12.8887 -11.4666 -11.4661 -10.9142 -10.9141 -9.8961 -9.8952 -9.7710 -9.7708 -0.4958 -0.4955 0.0693 0.0697 0.9721 0.9728 0.9742 0.9768 1.7707 1.7717 1.8226 1.8237 2.6750 2.6804 3.1078 3.1079 3.3395 3.3442 3.7433 3.7481 3.8696 3.8741 4.2670 4.2725 5.2293 5.2403 5.3349 5.3414 5.8381 5.8472 6.0440 6.0502 6.3276 6.3281 6.4182 6.4194 9.2224 9.2252 9.3828 9.3844 10.3706 10.3739 13.0511 13.0583 13.5547 13.5575 k = 0.1130 0.1957 0.2223 ( 3300 PWs) bands (ev): -12.9672 -12.9672 -12.9182 -12.9178 -11.4795 -11.4791 -10.9112 -10.9110 -9.8632 -9.8624 -9.7488 -9.7485 -0.4313 -0.4310 0.1326 0.1330 0.9811 0.9815 1.0080 1.0107 1.8064 1.8077 1.8429 1.8436 2.6659 2.6711 3.1166 3.1174 3.3695 3.3739 3.7046 3.7095 3.8655 3.8705 4.2526 4.2578 5.2195 5.2300 5.3126 5.3187 5.8102 5.8188 6.0243 6.0301 6.3026 6.3034 6.4003 6.4014 9.1824 9.1852 9.3419 9.3434 10.3790 10.3822 13.0323 13.0394 13.5130 13.5157 k = 0.1073 0.1859 0.2223 ( 3312 PWs) bands (ev): -12.9904 -12.9903 -12.9461 -12.9457 -11.4921 -11.4917 -10.9083 -10.9082 -9.8316 -9.8308 -9.7274 -9.7272 -0.3653 -0.3650 0.1960 0.1963 0.9879 0.9883 1.0419 1.0443 1.8419 1.8435 1.8606 1.8608 2.6542 2.6593 3.1268 3.1284 3.4013 3.4054 3.6707 3.6755 3.8589 3.8643 4.2392 4.2440 5.2091 5.2190 5.2906 5.2964 5.7826 5.7906 6.0010 6.0064 6.2781 6.2792 6.3827 6.3838 9.1438 9.1465 9.3008 9.3023 10.3876 10.3907 13.0167 13.0236 13.4721 13.4746 k = 0.1017 0.1761 0.2223 ( 3312 PWs) bands (ev): -13.0125 -13.0125 -12.9728 -12.9724 -11.5043 -11.5039 -10.9058 -10.9056 -9.8013 -9.8005 -9.7069 -9.7067 -0.2981 -0.2978 0.2592 0.2596 0.9942 0.9946 1.0739 1.0761 1.8750 1.8752 1.8773 1.8785 2.6399 2.6448 3.1386 3.1412 3.4327 3.4362 3.6440 3.6485 3.8496 3.8553 4.2272 4.2314 5.1982 5.2074 5.2690 5.2746 5.7557 5.7630 5.9749 5.9800 6.2540 6.2554 6.3649 6.3659 9.1067 9.1094 9.2598 9.2612 10.3964 10.3994 13.0041 13.0108 13.4322 13.4346 k = 0.0960 0.1664 0.2223 ( 3312 PWs) bands (ev): -13.0336 -13.0336 -12.9981 -12.9977 -11.5161 -11.5157 -10.9034 -10.9032 -9.7723 -9.7715 -9.6875 -9.6873 -0.2297 -0.2294 0.3222 0.3226 1.0001 1.0005 1.1041 1.1059 1.8870 1.8879 1.9102 1.9122 2.6228 2.6275 3.1522 3.1557 3.4592 3.4615 3.6294 3.6329 3.8374 3.8434 4.2170 4.2203 5.1868 5.1951 5.2478 5.2532 5.7294 5.7360 5.9466 5.9515 6.2304 6.2321 6.3463 6.3472 9.0715 9.0742 9.2190 9.2204 10.4054 10.4083 12.9945 13.0008 13.3933 13.3956 k = 0.0904 0.1566 0.2223 ( 3320 PWs) bands (ev): -13.0536 -13.0536 -13.0221 -13.0218 -11.5274 -11.5270 -10.9013 -10.9011 -9.7447 -9.7439 -9.6690 -9.6688 -0.1602 -0.1599 0.3846 0.3850 1.0058 1.0062 1.1320 1.1335 1.8961 1.8977 1.9419 1.9442 2.6027 2.6074 3.1676 3.1720 3.4743 3.4745 3.6336 3.6352 3.8225 3.8285 4.2086 4.2109 5.1749 5.1823 5.2272 5.2323 5.7042 5.7098 5.9169 5.9215 6.2071 6.2091 6.3265 6.3272 9.0383 9.0409 9.1789 9.1802 10.4145 10.4173 12.9874 12.9936 13.3557 13.3577 k = 0.0847 0.1468 0.2223 ( 3324 PWs) bands (ev): -13.0725 -13.0725 -13.0448 -13.0445 -11.5381 -11.5378 -10.8993 -10.8992 -9.7185 -9.7178 -9.6515 -9.6513 -0.0897 -0.0894 0.4461 0.4466 1.0114 1.0117 1.1575 1.1586 1.9028 1.9052 1.9715 1.9740 2.5796 2.5844 3.1848 3.1901 3.4737 3.4755 3.6578 3.6580 3.8050 3.8108 4.2022 4.2032 5.1626 5.1689 5.2070 5.2120 5.6800 5.6848 5.8863 5.8908 6.1841 6.1863 6.3052 6.3057 9.0072 9.0098 9.1395 9.1408 10.4236 10.4263 12.9829 12.9888 13.3193 13.3212 k = 0.0791 0.1370 0.2223 ( 3332 PWs) bands (ev): -13.0903 -13.0902 -13.0662 -13.0658 -11.5483 -11.5480 -10.8976 -10.8975 -9.6938 -9.6931 -9.6350 -9.6349 -0.0185 -0.0181 0.5066 0.5071 1.0169 1.0173 1.1801 1.1809 1.9075 1.9107 1.9986 2.0013 2.5536 2.5585 3.2036 3.2099 3.4653 3.4682 3.6947 3.6961 3.7851 3.7907 4.1975 4.1977 5.1498 5.1550 5.1873 5.1921 5.6572 5.6610 5.8555 5.8599 6.1614 6.1639 6.2820 6.2825 8.9785 8.9810 9.1012 9.1024 10.4327 10.4352 12.9805 12.9861 13.2845 13.2862 k = 0.0734 0.1272 0.2223 ( 3332 PWs) bands (ev): -13.1069 -13.1069 -13.0861 -13.0858 -11.5580 -11.5576 -10.8961 -10.8959 -9.6706 -9.6700 -9.6196 -9.6195 0.0535 0.0538 0.5655 0.5660 1.0226 1.0229 1.1994 1.1998 1.9106 1.9146 2.0230 2.0259 2.5248 2.5299 3.2240 3.2312 3.4550 3.4585 3.7392 3.7412 3.7634 3.7689 4.1935 4.1951 5.1367 5.1406 5.1681 5.1727 5.6359 5.6387 5.8252 5.8294 6.1391 6.1418 6.2571 6.2574 8.9521 8.9545 9.0642 9.0654 10.4416 10.4440 12.9801 12.9854 13.2513 13.2528 k = 0.0678 0.1174 0.2223 ( 3332 PWs) bands (ev): -13.1224 -13.1224 -13.1047 -13.1044 -11.5670 -11.5667 -10.8947 -10.8946 -9.6489 -9.6484 -9.6052 -9.6051 0.1259 0.1262 0.6225 0.6230 1.0284 1.0287 1.2149 1.2149 1.9126 1.9174 2.0446 2.0476 2.4935 2.4988 3.2456 3.2536 3.4458 3.4495 3.7393 3.7443 3.7890 3.7909 4.1913 4.1943 5.1232 5.1259 5.1493 5.1537 5.6161 5.6180 5.7957 5.7998 6.1172 6.1200 6.2305 6.2306 8.9280 8.9303 9.0288 9.0299 10.4504 10.4527 12.9813 12.9863 13.2198 13.2212 k = 0.0621 0.1076 0.2223 ( 3328 PWs) bands (ev): -13.1367 -13.1367 -13.1218 -13.1215 -11.5754 -11.5751 -10.8935 -10.8933 -9.6289 -9.6284 -9.5920 -9.5919 0.1987 0.1990 0.6770 0.6775 1.0347 1.0349 1.2256 1.2260 1.9142 1.9198 2.0633 2.0664 2.4600 2.4655 3.2681 3.2768 3.4385 3.4423 3.7148 3.7197 3.8398 3.8420 4.1908 4.1949 5.1093 5.1109 5.1310 5.1353 5.5980 5.5990 5.7675 5.7715 6.0958 6.0988 6.2023 6.2023 8.9063 8.9085 8.9953 8.9963 10.4589 10.4610 12.9839 12.9886 13.1902 13.1914 k = 0.0565 0.0979 0.2223 ( 3324 PWs) bands (ev): -13.1498 -13.1498 -13.1375 -13.1373 -11.5831 -11.5829 -10.8924 -10.8923 -9.6105 -9.6100 -9.5798 -9.5797 0.2716 0.2719 0.7284 0.7290 1.0415 1.0417 1.2313 1.2320 1.9160 1.9225 2.0791 2.0822 2.4248 2.4307 3.2910 3.3004 3.4335 3.4372 3.6897 3.6945 3.8916 3.8938 4.1918 4.1970 5.0953 5.0957 5.1132 5.1173 5.5817 5.5819 5.7412 5.7450 6.0752 6.0781 6.1728 6.1729 8.8870 8.8890 8.9639 8.9648 10.4670 10.4690 12.9875 12.9918 13.1626 13.1637 k = 0.0508 0.0881 0.2223 ( 3328 PWs) bands (ev): -13.1617 -13.1617 -13.1517 -13.1515 -11.5902 -11.5900 -10.8914 -10.8913 -9.5938 -9.5933 -9.5688 -9.5687 0.3444 0.3447 0.7760 0.7766 1.0492 1.0493 1.2314 1.2324 1.9189 1.9260 2.0921 2.0952 2.3885 2.3947 3.3138 3.3238 3.4306 3.4342 3.6647 3.6695 3.9430 3.9453 4.1941 4.2002 5.0805 5.0811 5.0959 5.0997 5.5667 5.5672 5.7170 5.7207 6.0554 6.0583 6.1425 6.1427 8.8699 8.8718 8.9348 8.9356 10.4747 10.4765 12.9918 12.9958 13.1372 13.1382 k = 0.0452 0.0783 0.2223 ( 3324 PWs) bands (ev): -13.1724 -13.1724 -13.1645 -13.1643 -11.5965 -11.5964 -10.8906 -10.8905 -9.5787 -9.5783 -9.5589 -9.5588 0.4169 0.4172 0.8190 0.8196 1.0580 1.0581 1.2253 1.2266 1.9233 1.9311 2.1025 2.1055 2.3515 2.3581 3.3360 3.3464 3.4294 3.4329 3.6403 3.6451 3.9933 3.9955 4.1976 4.2043 5.0656 5.0669 5.0792 5.0827 5.5534 5.5545 5.6953 5.6988 6.0366 6.0395 6.1121 6.1123 8.8551 8.8568 8.9082 8.9089 10.4819 10.4835 12.9966 13.0002 13.1141 13.1149 k = 0.0395 0.0685 0.2223 ( 3320 PWs) bands (ev): -13.1818 -13.1818 -13.1758 -13.1757 -11.6022 -11.6020 -10.8899 -10.8898 -9.5654 -9.5650 -9.5501 -9.5500 0.4889 0.4891 0.8566 0.8571 1.0683 1.0683 1.2127 1.2141 1.9299 1.9382 2.1106 2.1134 2.3146 2.3216 3.3571 3.3678 3.4297 3.4329 3.6172 3.6221 4.0413 4.0435 4.2021 4.2091 5.0511 5.0529 5.0632 5.0664 5.5421 5.5435 5.6764 5.6797 6.0192 6.0219 6.0822 6.0825 8.8423 8.8438 8.8843 8.8850 10.4885 10.4899 13.0016 13.0048 13.0934 13.0941 k = 0.0339 0.0587 0.2223 ( 3322 PWs) bands (ev): -13.1901 -13.1901 -13.1856 -13.1855 -11.6071 -11.6070 -10.8893 -10.8893 -9.5538 -9.5535 -9.5424 -9.5424 0.5600 0.5601 0.8879 0.8885 1.0801 1.0801 1.1934 1.1948 1.9390 1.9476 2.1166 2.1191 2.2782 2.2855 3.3765 3.3872 3.4309 3.4339 3.5959 3.6009 4.0863 4.0883 4.2073 4.2142 5.0375 5.0394 5.0482 5.0509 5.5326 5.5343 5.6604 5.6634 6.0034 6.0058 6.0535 6.0538 8.8315 8.8328 8.8633 8.8639 10.4944 10.4956 13.0064 13.0093 13.0752 13.0758 k = 0.0282 0.0489 0.2223 ( 3330 PWs) bands (ev): -13.1970 -13.1970 -13.1939 -13.1938 -11.6113 -11.6112 -10.8889 -10.8888 -9.5439 -9.5437 -9.5359 -9.5359 0.6299 0.6299 0.9128 0.9133 1.0931 1.0931 1.1674 1.1688 1.9506 1.9593 2.1209 2.1231 2.2430 2.2505 3.3937 3.4043 3.4327 3.4356 3.5771 3.5821 4.1271 4.1289 4.2128 4.2193 5.0249 5.0267 5.0345 5.0365 5.5249 5.5267 5.6473 5.6500 5.9894 5.9915 6.0270 6.0273 8.8225 8.8237 8.8452 8.8458 10.4995 10.5006 13.0110 13.0134 13.0597 13.0601 k = 0.0226 0.0391 0.2223 ( 3326 PWs) bands (ev): -13.2027 -13.2027 -13.2007 -13.2007 -11.6148 -11.6147 -10.8885 -10.8884 -9.5359 -9.5357 -9.5306 -9.5305 0.6982 0.6982 0.9316 0.9320 1.1065 1.1065 1.1348 1.1362 1.9646 1.9732 2.1238 2.1256 2.2096 2.2171 3.4083 3.4184 3.4347 3.4375 3.5612 3.5660 4.1626 4.1642 4.2183 4.2240 5.0139 5.0152 5.0225 5.0238 5.5189 5.5206 5.6372 5.6394 5.9776 5.9793 6.0035 6.0038 8.8154 8.8163 8.8304 8.8308 10.5038 10.5047 13.0151 13.0171 13.0469 13.0472 k = 0.0169 0.0294 0.2223 ( 3314 PWs) bands (ev): -13.2072 -13.2072 -13.2060 -13.2060 -11.6175 -11.6174 -10.8882 -10.8881 -9.5296 -9.5295 -9.5264 -9.5263 0.7645 0.7647 0.9448 0.9451 1.0962 1.0973 1.1190 1.1190 1.9804 1.9885 2.1257 2.1270 2.1789 2.1863 3.4200 3.4290 3.4369 3.4396 3.5487 3.5530 4.1919 4.1931 4.2234 4.2280 5.0047 5.0055 5.0126 5.0131 5.5145 5.5159 5.6298 5.6316 5.9680 5.9692 5.9842 5.9843 8.8099 8.8106 8.8188 8.8191 10.5073 10.5079 13.0184 13.0200 13.0369 13.0370 k = 0.0113 0.0196 0.2223 ( 3318 PWs) bands (ev): -13.2104 -13.2104 -13.2098 -13.2097 -11.6194 -11.6194 -10.8879 -10.8879 -9.5253 -9.5252 -9.5232 -9.5232 0.8284 0.8286 0.9535 0.9537 1.0520 1.0530 1.1291 1.1291 1.9968 2.0038 2.1269 2.1276 2.1525 2.1591 3.4285 3.4350 3.4399 3.4415 3.5400 3.5434 4.2138 4.2146 4.2276 4.2308 4.9976 4.9979 5.0051 5.0052 5.5115 5.5125 5.6249 5.6261 5.9608 5.9614 5.9699 5.9700 8.8059 8.8063 8.8107 8.8109 10.5098 10.5103 13.0208 13.0220 13.0299 13.0299 k = 0.0056 0.0098 0.2223 ( 3322 PWs) bands (ev): -13.2124 -13.2124 -13.2120 -13.2119 -11.6206 -11.6205 -10.8878 -10.8878 -9.5228 -9.5228 -9.5212 -9.5212 0.8890 0.8894 0.9584 0.9586 1.0032 1.0040 1.1356 1.1356 2.0114 2.0158 2.1276 2.1276 2.1337 2.1383 3.4337 3.4366 3.4430 3.4432 3.5353 3.5371 4.2274 4.2277 4.2308 4.2323 4.9931 4.9932 5.0004 5.0005 5.5099 5.5104 5.6222 5.6229 5.9557 5.9558 5.9616 5.9618 8.8032 8.8033 8.8062 8.8063 10.5114 10.5116 13.0219 13.0226 13.0261 13.0261 k = 0.0000 0.0000 0.2223 ( 3322 PWs) bands (ev): -13.2131 -13.2131 -13.2127 -13.2127 -11.6209 -11.6209 -10.8878 -10.8878 -9.5220 -9.5220 -9.5205 -9.5205 0.9366 0.9366 0.9598 0.9598 0.9603 0.9603 1.1379 1.1379 2.0192 2.0192 2.1269 2.1269 2.1291 2.1291 3.4362 3.4362 3.4440 3.4440 3.5344 3.5344 4.2318 4.2318 4.2327 4.2327 4.9916 4.9916 4.9988 4.9988 5.5096 5.5096 5.6216 5.6216 5.9537 5.9537 5.9593 5.9593 8.8021 8.8021 8.8049 8.8049 10.5120 10.5120 13.0220 13.0220 13.0253 13.0253 k = 0.5000 0.2887 0.2223 ( 3292 PWs) bands (ev): -12.2436 -12.2436 -11.7312 -11.7312 -11.3675 -11.3675 -11.2493 -11.2493 -10.7231 -10.7231 -10.3917 -10.3917 -1.5134 -1.5134 -0.9434 -0.9434 0.0317 0.0317 0.6837 0.6837 0.8978 0.8978 1.8229 1.8229 2.6730 2.6730 3.2370 3.2370 3.3575 3.3575 3.4196 3.4196 3.6588 3.6588 4.7980 4.7980 5.3449 5.3449 5.8968 5.8968 6.1740 6.1740 6.2316 6.2316 6.8035 6.8035 7.0574 7.0574 9.8791 9.8791 9.8878 9.8878 10.6719 10.6719 14.1035 14.1035 15.0508 15.0514 k = 0.5000 0.2887 0.2112 ( 3294 PWs) bands (ev): -12.2438 -12.2438 -11.7307 -11.7307 -11.3685 -11.3683 -11.2483 -11.2480 -10.7243 -10.7242 -10.3911 -10.3910 -1.5151 -1.5151 -0.9411 -0.9410 0.0304 0.0306 0.6842 0.6842 0.8991 0.8993 1.8231 1.8231 2.6729 2.6730 3.2294 3.2348 3.3596 3.3638 3.3946 3.3995 3.6817 3.6837 4.7971 4.7973 5.3419 5.3427 5.8965 5.8987 6.1723 6.1739 6.2312 6.2341 6.8033 6.8037 7.0576 7.0578 9.8498 9.8527 9.9137 9.9169 10.6720 10.6722 14.1055 14.1057 15.0164 15.0202 k = 0.5000 0.2887 0.2001 ( 3288 PWs) bands (ev): -12.2445 -12.2444 -11.7292 -11.7291 -11.3712 -11.3708 -11.2450 -11.2445 -10.7279 -10.7277 -10.3893 -10.3892 -1.5199 -1.5199 -0.9340 -0.9338 0.0268 0.0272 0.6856 0.6857 0.9032 0.9036 1.8237 1.8238 2.6726 2.6728 3.2135 3.2228 3.3336 3.3395 3.3788 3.3880 3.7359 3.7385 4.7945 4.7950 5.3339 5.3356 5.8977 5.9022 6.1693 6.1722 6.2329 6.2382 6.8032 6.8040 7.0582 7.0585 9.8180 9.8207 9.9445 9.9478 10.6725 10.6730 14.1118 14.1122 14.9840 14.9879 k = 0.5000 0.2887 0.1890 ( 3292 PWs) bands (ev): -12.2455 -12.2455 -11.7266 -11.7266 -11.3754 -11.3748 -11.2398 -11.2391 -10.7336 -10.7333 -10.3864 -10.3863 -1.5277 -1.5276 -0.9224 -0.9222 0.0210 0.0216 0.6878 0.6880 0.9103 0.9109 1.8247 1.8249 2.6723 2.6725 3.1880 3.1996 3.2716 3.2823 3.3994 3.4099 3.8015 3.8042 4.7902 4.7909 5.3216 5.3239 5.9000 5.9064 6.1661 6.1697 6.2358 6.2429 6.8031 6.8044 7.0593 7.0598 9.7863 9.7888 9.9745 9.9780 10.6734 10.6742 14.1223 14.1229 14.9537 14.9578 k = 0.5000 0.2887 0.1778 ( 3298 PWs) bands (ev): -12.2470 -12.2469 -11.7231 -11.7230 -11.3807 -11.3799 -11.2329 -11.2321 -10.7413 -10.7409 -10.3826 -10.3824 -1.5378 -1.5378 -0.9069 -0.9066 0.0129 0.0136 0.6905 0.6907 0.9205 0.9213 1.8261 1.8264 2.6720 2.6723 3.1434 3.1537 3.2232 3.2359 3.4268 3.4378 3.8706 3.8731 4.7837 4.7847 5.3059 5.3087 5.9027 5.9108 6.1636 6.1674 6.2391 6.2475 6.8032 6.8048 7.0608 7.0614 9.7548 9.7572 10.0034 10.0070 10.6747 10.6757 14.1370 14.1378 14.9257 14.9298 k = 0.5000 0.2887 0.1667 ( 3304 PWs) bands (ev): -12.2487 -12.2487 -11.7187 -11.7186 -11.3868 -11.3860 -11.2247 -11.2237 -10.7508 -10.7504 -10.3781 -10.3778 -1.5498 -1.5498 -0.8880 -0.8876 0.0026 0.0035 0.6936 0.6938 0.9341 0.9350 1.8280 1.8283 2.6719 2.6723 3.0778 3.0841 3.1949 3.2066 3.4585 3.4696 3.9400 3.9423 4.7748 4.7760 5.2876 5.2907 5.9050 5.9144 6.1624 6.1663 6.2423 6.2517 6.8035 6.8054 7.0626 7.0633 9.7240 9.7262 10.0311 10.0348 10.6765 10.6777 14.1558 14.1569 14.8999 14.9040 k = 0.5000 0.2887 0.1556 ( 3288 PWs) bands (ev): -12.2508 -12.2507 -11.7135 -11.7134 -11.3935 -11.3926 -11.2153 -11.2142 -10.7620 -10.7615 -10.3729 -10.3726 -1.5632 -1.5632 -0.8662 -0.8657 -0.0097 -0.0087 0.6965 0.6968 0.9512 0.9523 1.8302 1.8305 2.6721 2.6726 3.0024 3.0062 3.1739 3.1846 3.4939 3.5048 4.0083 4.0105 4.7630 4.7644 5.2679 5.2712 5.9064 5.9167 6.1630 6.1669 6.2449 6.2551 6.8040 6.8061 7.0647 7.0655 9.6940 9.6960 10.0574 10.0611 10.6787 10.6801 14.1787 14.1799 14.8762 14.8804 k = 0.5000 0.2887 0.1445 ( 3288 PWs) bands (ev): -12.2530 -12.2530 -11.7076 -11.7075 -11.4005 -11.3996 -11.2050 -11.2039 -10.7745 -10.7739 -10.3674 -10.3671 -1.5775 -1.5774 -0.8420 -0.8415 -0.0241 -0.0228 0.6993 0.6995 0.9719 0.9731 1.8329 1.8332 2.6726 2.6732 2.9236 2.9260 3.1551 3.1651 3.5323 3.5429 4.0746 4.0766 4.7479 4.7494 5.2479 5.2512 5.9065 5.9173 6.1654 6.1692 6.2466 6.2575 6.8048 6.8070 7.0671 7.0680 9.6651 9.6669 10.0820 10.0857 10.6814 10.6829 14.2055 14.2069 14.8546 14.8588 k = 0.5000 0.2887 0.1334 ( 3290 PWs) bands (ev): -12.2555 -12.2554 -11.7011 -11.7010 -11.4078 -11.4069 -11.1940 -11.1928 -10.7881 -10.7875 -10.3617 -10.3614 -1.5921 -1.5921 -0.8160 -0.8154 -0.0402 -0.0389 0.7017 0.7019 0.9962 0.9975 1.8359 1.8362 2.6733 2.6741 2.8439 2.8454 3.1371 3.1465 3.5736 3.5837 4.1385 4.1403 4.7290 4.7306 5.2283 5.2315 5.9052 5.9161 6.1692 6.1731 6.2477 6.2591 6.8058 6.8082 7.0697 7.0705 9.6374 9.6390 10.1048 10.1085 10.6844 10.6860 14.2359 14.2375 14.8350 14.8393 k = 0.5000 0.2887 0.1223 ( 3290 PWs) bands (ev): -12.2579 -12.2579 -11.6942 -11.6941 -11.4152 -11.4142 -11.1822 -11.1811 -10.8027 -10.8021 -10.3559 -10.3556 -1.6068 -1.6067 -0.7886 -0.7879 -0.0580 -0.0566 0.7035 0.7038 1.0239 1.0252 1.8392 1.8395 2.6732 2.6744 2.7656 2.7662 3.1197 3.1284 3.6173 3.6269 4.1993 4.2009 4.7061 4.7078 5.2099 5.2130 5.9026 5.9133 6.1739 6.1780 6.2482 6.2600 6.8071 6.8095 7.0723 7.0732 9.6111 9.6126 10.1257 10.1293 10.6878 10.6895 14.2698 14.2717 14.8173 14.8217 k = 0.5000 0.2887 0.1112 ( 3300 PWs) bands (ev): -12.2605 -12.2604 -11.6870 -11.6868 -11.4225 -11.4216 -11.1700 -11.1688 -10.8181 -10.8174 -10.3503 -10.3500 -1.6210 -1.6210 -0.7601 -0.7594 -0.0773 -0.0758 0.7049 0.7051 1.0547 1.0560 1.8430 1.8432 2.6607 2.6635 2.6997 2.7011 3.1027 3.1108 3.6631 3.6722 4.2566 4.2581 4.6790 4.6807 5.1933 5.1961 5.8991 5.9093 6.1787 6.1832 6.2486 6.2606 6.8087 6.8111 7.0750 7.0758 9.5864 9.5878 10.1447 10.1481 10.6915 10.6932 14.3068 14.3089 14.8014 14.8058 k = 0.5000 0.2887 0.1000 ( 3300 PWs) bands (ev): -12.2629 -12.2629 -11.6795 -11.6794 -11.4298 -11.4289 -11.1572 -11.1560 -10.8340 -10.8333 -10.3449 -10.3446 -1.6346 -1.6346 -0.7311 -0.7302 -0.0979 -0.0963 0.7059 0.7061 1.0882 1.0895 1.8471 1.8474 2.5979 2.5999 2.6879 2.6888 3.0863 3.0937 3.7108 3.7194 4.3101 4.3115 4.6478 4.6495 5.1787 5.1812 5.8951 5.9047 6.1829 6.1875 6.2495 6.2613 6.8105 6.8127 7.0776 7.0784 9.5636 9.5648 10.1617 10.1649 10.6953 10.6970 14.3466 14.3489 14.7871 14.7917 k = 0.5000 0.2887 0.0889 ( 3302 PWs) bands (ev): -12.2653 -12.2652 -11.6721 -11.6719 -11.4368 -11.4360 -11.1440 -11.1429 -10.8503 -10.8496 -10.3398 -10.3396 -1.6474 -1.6473 -0.7018 -0.7009 -0.1195 -0.1179 0.7065 0.7066 1.1237 1.1250 1.8516 1.8519 2.5236 2.5252 2.6898 2.6905 3.0705 3.0772 3.7601 3.7680 4.3593 4.3606 4.6128 4.6145 5.1662 5.1684 5.8909 5.8996 6.1857 6.1902 6.2514 6.2625 6.8123 6.8144 7.0802 7.0809 9.5427 9.5438 10.1766 10.1797 10.6993 10.7010 14.3885 14.3911 14.7744 14.7791 k = 0.5000 0.2887 0.0778 ( 3304 PWs) bands (ev): -12.2676 -12.2675 -11.6648 -11.6646 -11.4436 -11.4428 -11.1305 -11.1294 -10.8668 -10.8660 -10.3352 -10.3349 -1.6590 -1.6590 -0.6726 -0.6717 -0.1417 -0.1401 0.7068 0.7069 1.1606 1.1619 1.8566 1.8570 2.4505 2.4520 2.6933 2.6939 3.0557 3.0616 3.8105 3.8179 4.4038 4.4050 4.5745 4.5761 5.1557 5.1576 5.8868 5.8946 6.1869 6.1909 6.2547 6.2645 6.8143 6.8162 7.0826 7.0833 9.5239 9.5249 10.1896 10.1924 10.7033 10.7048 14.4319 14.4348 14.7630 14.7679 k = 0.5000 0.2887 0.0667 ( 3306 PWs) bands (ev): -12.2696 -12.2695 -11.6578 -11.6576 -11.4499 -11.4492 -11.1169 -11.1158 -10.8832 -10.8824 -10.3310 -10.3308 -1.6694 -1.6694 -0.6441 -0.6431 -0.1642 -0.1627 0.7069 0.7070 1.1978 1.1990 1.8622 1.8627 2.3805 2.3819 2.6973 2.6980 3.0419 3.0471 3.8616 3.8685 4.4428 4.4441 4.5337 4.5352 5.1472 5.1487 5.8831 5.8899 6.1864 6.1897 6.2590 6.2673 6.8162 6.8179 7.0848 7.0854 9.5074 9.5082 10.2007 10.2032 10.7071 10.7085 14.4759 14.4791 14.7528 14.7579 k = 0.5000 0.2887 0.0556 ( 3306 PWs) bands (ev): -12.2714 -12.2713 -11.6513 -11.6512 -11.4557 -11.4551 -11.1033 -11.1023 -10.8992 -10.8985 -10.3274 -10.3272 -1.6785 -1.6784 -0.6167 -0.6158 -0.1864 -0.1849 0.7068 0.7069 1.2342 1.2353 1.8685 1.8690 2.3149 2.3162 2.7015 2.7021 3.0296 3.0341 3.9130 3.9193 4.4705 4.4749 4.4944 4.4974 5.1403 5.1415 5.8799 5.8857 6.1847 6.1872 6.2639 6.2705 6.8180 6.8194 7.0867 7.0872 9.4932 9.4938 10.2100 10.2120 10.7106 10.7118 14.5194 14.5230 14.7435 14.7487 k = 0.5000 0.2887 0.0445 ( 3314 PWs) bands (ev): -12.2729 -12.2728 -11.6456 -11.6454 -11.4607 -11.4602 -11.0900 -11.0891 -10.9146 -10.9139 -10.3243 -10.3242 -1.6860 -1.6859 -0.5914 -0.5905 -0.2075 -0.2062 0.7066 0.7067 1.2682 1.2692 1.8756 1.8762 2.2551 2.2564 2.7055 2.7061 3.0191 3.0227 3.9639 3.9696 4.4415 4.4449 4.5086 4.5100 5.1349 5.1359 5.8773 5.8820 6.1823 6.1842 6.2686 6.2737 6.8196 6.8207 7.0884 7.0888 9.4814 9.4819 10.2174 10.2191 10.7137 10.7147 14.5610 14.5651 14.7346 14.7401 k = 0.5000 0.2887 0.0333 ( 3306 PWs) bands (ev): -12.2741 -12.2741 -11.6408 -11.6407 -11.4649 -11.4645 -11.0776 -11.0768 -10.9287 -10.9280 -10.3219 -10.3218 -1.6919 -1.6919 -0.5690 -0.5682 -0.2265 -0.2254 0.7065 0.7065 1.2980 1.2988 1.8834 1.8840 2.2032 2.2044 2.7091 2.7095 3.0105 3.0133 4.0131 4.0180 4.3982 4.4010 4.5307 4.5314 5.1309 5.1316 5.8754 5.8790 6.1798 6.1812 6.2728 6.2765 6.8209 6.8218 7.0897 7.0900 9.4722 9.4726 10.2232 10.2245 10.7163 10.7171 14.5992 14.6038 14.7257 14.7314 k = 0.5000 0.2887 0.0222 ( 3304 PWs) bands (ev): -12.2750 -12.2749 -11.6372 -11.6371 -11.4680 -11.4678 -11.0668 -11.0662 -10.9405 -10.9400 -10.3202 -10.3201 -1.6962 -1.6962 -0.5510 -0.5504 -0.2419 -0.2411 0.7063 0.7063 1.3216 1.3221 1.8913 1.8918 2.1617 2.1627 2.7118 2.7122 3.0043 3.0062 4.0581 4.0621 4.3571 4.3596 4.5469 4.5474 5.1282 5.1286 5.8742 5.8767 6.1777 6.1786 6.2762 6.2785 6.8220 6.8226 7.0907 7.0909 9.4656 9.4659 10.2273 10.2282 10.7183 10.7188 14.6325 14.6374 14.7160 14.7218 k = 0.5000 0.2887 0.0111 ( 3296 PWs) bands (ev): -12.2755 -12.2755 -11.6349 -11.6349 -11.4700 -11.4698 -11.0591 -11.0588 -10.9487 -10.9484 -10.3192 -10.3191 -1.6987 -1.6987 -0.5391 -0.5388 -0.2521 -0.2517 0.7062 0.7062 1.3368 1.3370 1.8977 1.8980 2.1344 2.1349 2.7137 2.7139 3.0006 3.0016 4.0936 4.0960 4.3246 4.3263 4.5568 4.5571 5.1266 5.1268 5.8738 5.8750 6.1764 6.1769 6.2785 6.2796 6.8227 6.8230 7.0913 7.0914 9.4617 9.4618 10.2299 10.2303 10.7196 10.7198 14.6590 14.6638 14.7054 14.7106 k = 0.5000 0.2887-0.0000 ( 3288 PWs) bands (ev): -12.2757 -12.2757 -11.6341 -11.6341 -11.4706 -11.4706 -11.0562 -11.0562 -10.9516 -10.9516 -10.3188 -10.3188 -1.6996 -1.6996 -0.5348 -0.5348 -0.2556 -0.2556 0.7062 0.7062 1.3421 1.3421 1.9004 1.9004 2.1249 2.1249 2.7144 2.7144 2.9997 2.9997 4.1089 4.1089 4.3120 4.3120 4.5602 4.5602 5.1262 5.1262 5.8741 5.8741 6.1761 6.1761 6.2796 6.2796 6.8230 6.8230 7.0916 7.0916 9.4604 9.4604 10.2309 10.2309 10.7201 10.7201 14.6744 14.6744 14.7004 14.7004 k = 0.3333 0.5774-0.0000 ( 3270 PWs) bands (ev): -11.7257 -11.7247 -11.7231 -11.7231 -11.4834 -11.4834 -10.9427 -10.9427 -10.9399 -10.9399 -10.8282 -10.8282 -1.8033 -1.8033 -0.8240 -0.8220 -0.8220 -0.8211 1.0104 1.0104 1.2690 1.2690 1.2721 1.2724 2.2275 2.2275 3.1270 3.1375 3.1375 3.1404 3.9988 4.0063 4.0124 4.0124 5.1148 5.1148 5.7738 5.7738 5.7776 5.7878 5.9106 5.9106 6.6062 6.6062 6.8478 6.8478 6.8509 6.8532 10.0935 10.0937 10.0938 10.0938 10.4323 10.4323 14.8080 14.8255 14.8255 14.8309 k = 0.3333 0.5774 0.0111 ( 3264 PWs) bands (ev): -11.7283 -11.7261 -11.7219 -11.7197 -11.4839 -11.4838 -10.9508 -10.9481 -10.9345 -10.9316 -10.8282 -10.8280 -1.8024 -1.8024 -0.8572 -0.8566 -0.7878 -0.7873 1.0078 1.0080 1.2211 1.2243 1.3166 1.3199 2.2314 2.2317 3.0864 3.0905 3.1816 3.1852 3.9831 3.9934 4.0196 4.0291 5.1129 5.1131 5.7532 5.7617 5.7959 5.8051 5.9101 5.9106 6.6068 6.6070 6.8431 6.8473 6.8522 6.8565 10.0914 10.0917 10.0963 10.0963 10.4317 10.4319 14.7713 14.7786 14.8639 14.8687 k = 0.3333 0.5774 0.0222 ( 3270 PWs) bands (ev): -11.7309 -11.7288 -11.7182 -11.7160 -11.4851 -11.4848 -10.9590 -10.9564 -10.9264 -10.9235 -10.8280 -10.8277 -1.7995 -1.7994 -0.8915 -0.8910 -0.7530 -0.7525 1.0005 1.0007 1.1734 1.1765 1.3633 1.3667 2.2432 2.2439 3.0414 3.0450 3.2287 3.2327 3.9617 3.9718 4.0340 4.0436 5.1076 5.1079 5.7343 5.7434 5.8192 5.8277 5.9089 5.9099 6.6088 6.6092 6.8381 6.8424 6.8562 6.8603 10.0894 10.0899 10.0993 10.0994 10.4301 10.4307 14.7222 14.7286 14.9020 14.9075 k = 0.3333 0.5774 0.0333 ( 3270 PWs) bands (ev): -11.7333 -11.7313 -11.7142 -11.7119 -11.4870 -11.4866 -10.9671 -10.9645 -10.9184 -10.9155 -10.8277 -10.8272 -1.7947 -1.7946 -0.9257 -0.9251 -0.7182 -0.7177 0.9886 0.9890 1.1263 1.1293 1.4086 1.4121 2.2627 2.2637 2.9985 3.0018 3.2747 3.2791 3.9378 3.9476 4.0468 4.0562 5.0988 5.0992 5.7173 5.7267 5.8433 5.8514 5.9071 5.9086 6.6122 6.6128 6.8330 6.8373 6.8598 6.8637 10.0878 10.0884 10.1028 10.1031 10.4276 10.4285 14.6704 14.6763 14.9360 14.9418 k = 0.3333 0.5774 0.0445 ( 3285 PWs) bands (ev): -11.7353 -11.7334 -11.7098 -11.7075 -11.4897 -11.4891 -10.9751 -10.9726 -10.9106 -10.9076 -10.8273 -10.8267 -1.7880 -1.7879 -0.9596 -0.9591 -0.6835 -0.6830 0.9729 0.9734 1.0803 1.0831 1.4519 1.4555 2.2891 2.2905 2.9587 2.9618 3.3186 3.3233 3.9114 3.9210 4.0583 4.0675 5.0866 5.0872 5.7025 5.7121 5.8680 5.8758 5.9046 5.9066 6.6169 6.6177 6.8278 6.8321 6.8628 6.8665 10.0864 10.0871 10.1068 10.1073 10.4242 10.4253 14.6171 14.6226 14.9654 14.9713 k = 0.3333 0.5774 0.0556 ( 3285 PWs) bands (ev): -11.7371 -11.7352 -11.7050 -11.7027 -11.4931 -11.4924 -10.9829 -10.9806 -10.9030 -10.9000 -10.8268 -10.8260 -1.7794 -1.7793 -0.9932 -0.9927 -0.6490 -0.6485 0.9540 0.9545 1.0356 1.0382 1.4926 1.4961 2.3219 2.3236 2.9229 2.9257 3.3593 3.3643 3.8826 3.8921 4.0694 4.0783 5.0712 5.0719 5.6901 5.6997 5.8923 5.9004 5.9013 5.9045 6.6230 6.6239 6.8224 6.8267 6.8652 6.8688 10.0852 10.0860 10.1115 10.1123 10.4199 10.4213 14.5631 14.5682 14.9904 14.9963 k = 0.3333 0.5774 0.0667 ( 3288 PWs) bands (ev): -11.7386 -11.7368 -11.6999 -11.6976 -11.4971 -11.4963 -10.9906 -10.9883 -10.8955 -10.8925 -10.8262 -10.8252 -1.7690 -1.7689 -1.0265 -1.0261 -0.6149 -0.6144 0.9325 0.9332 0.9926 0.9951 1.5298 1.5333 2.3602 2.3623 2.8920 2.8944 3.3954 3.4007 3.8517 3.8609 4.0810 4.0894 5.0527 5.0536 5.6800 5.6897 5.8971 5.8991 5.9191 5.9251 6.6303 6.6313 6.8171 6.8213 6.8670 6.8703 10.0841 10.0849 10.1169 10.1178 10.4146 10.4163 14.5093 14.5141 15.0113 15.0172 k = 0.3333 0.5774 0.0778 ( 3282 PWs) bands (ev): -11.7399 -11.7382 -11.6945 -11.6922 -11.5017 -11.5008 -10.9979 -10.9958 -10.8884 -10.8854 -10.8256 -10.8244 -1.7567 -1.7566 -1.0596 -1.0592 -0.5814 -0.5809 0.9094 0.9101 0.9516 0.9540 1.5631 1.5665 2.4034 2.4058 2.8666 2.8687 3.4256 3.4313 3.8187 3.8276 4.0942 4.1020 5.0313 5.0323 5.6725 5.6822 5.8922 5.8948 5.9436 5.9495 6.6387 6.6399 6.8118 6.8159 6.8680 6.8712 10.0832 10.0840 10.1230 10.1242 10.4085 10.4104 14.4565 14.4608 15.0286 15.0345 k = 0.3333 0.5774 0.0889 ( 3285 PWs) bands (ev): -11.7409 -11.7393 -11.6887 -11.6864 -11.5070 -11.5059 -11.0050 -11.0029 -10.8815 -10.8785 -10.8249 -10.8236 -1.7428 -1.7427 -1.0925 -1.0921 -0.5487 -0.5482 0.8852 0.8860 0.9129 0.9152 1.5918 1.5951 2.4507 2.4533 2.8474 2.8492 3.4486 3.4548 3.7838 3.7925 4.1100 4.1172 5.0071 5.0082 5.6674 5.6771 5.8862 5.8894 5.9679 5.9733 6.6483 6.6495 6.8066 6.8106 6.8683 6.8712 10.0823 10.0832 10.1298 10.1313 10.4015 10.4036 14.4052 14.4092 15.0430 15.0488 k = 0.3333 0.5774 0.1000 ( 3282 PWs) bands (ev): -11.7418 -11.7403 -11.6826 -11.6802 -11.5127 -11.5116 -11.0116 -11.0097 -10.8750 -10.8719 -10.8242 -10.8228 -1.7272 -1.7270 -1.1251 -1.1248 -0.5169 -0.5165 0.8606 0.8614 0.8768 0.8789 1.6156 1.6187 2.5013 2.5042 2.8351 2.8364 3.4634 3.4699 3.7474 3.7558 4.1296 4.1362 4.9803 4.9815 5.6648 5.6743 5.8793 5.8828 5.9914 5.9964 6.6588 6.6600 6.8016 6.8054 6.8676 6.8703 10.0815 10.0824 10.1375 10.1391 10.3936 10.3960 14.3561 14.3598 15.0552 15.0608 k = 0.3333 0.5774 0.1112 ( 3276 PWs) bands (ev): -11.7424 -11.7410 -11.6761 -11.6738 -11.5190 -11.5178 -11.0179 -11.0162 -10.8688 -10.8657 -10.8236 -10.8220 -1.7099 -1.7098 -1.1575 -1.1572 -0.4864 -0.4860 0.8361 0.8370 0.8434 0.8453 1.6342 1.6371 2.5548 2.5580 2.8297 2.8306 3.4692 3.4760 3.7097 3.7177 4.1536 4.1596 4.9510 4.9524 5.6646 5.6739 5.8714 5.8753 6.0139 6.0185 6.6701 6.6713 6.7967 6.8003 6.8661 6.8685 10.0807 10.0816 10.1459 10.1478 10.3849 10.3874 14.3097 14.3130 15.0658 15.0714 k = 0.3333 0.5774 0.1223 ( 3288 PWs) bands (ev): -11.7429 -11.7416 -11.6694 -11.6670 -11.5258 -11.5244 -11.0238 -11.0221 -10.8629 -10.8599 -10.8231 -10.8214 -1.6911 -1.6910 -1.1897 -1.1894 -0.4575 -0.4571 0.8118 0.8133 0.8134 0.8147 1.6478 1.6503 2.6105 2.6139 2.8312 2.8316 3.4658 3.4729 3.6710 3.6786 4.1822 4.1876 4.9195 4.9211 5.6665 5.6757 5.8626 5.8668 6.0352 6.0392 6.6820 6.6833 6.7921 6.7954 6.8636 6.8658 10.0800 10.0808 10.1551 10.1571 10.3753 10.3781 14.2664 14.2695 15.0755 15.0810 k = 0.3333 0.5774 0.1334 ( 3282 PWs) bands (ev): -11.7433 -11.7421 -11.6623 -11.6600 -11.5329 -11.5314 -11.0291 -11.0276 -10.8575 -10.8544 -10.8227 -10.8209 -1.6709 -1.6707 -1.2217 -1.2214 -0.4303 -0.4300 0.7852 0.7871 0.7899 0.7907 1.6566 1.6589 2.6679 2.6716 2.8392 2.8392 3.4537 3.4609 3.6317 3.6389 4.2152 4.2201 4.8859 4.8876 5.6705 5.6795 5.8529 5.8574 6.0549 6.0585 6.6946 6.6958 6.7877 6.7908 6.8602 6.8620 10.0793 10.0800 10.1650 10.1673 10.3651 10.3680 14.2268 14.2295 15.0849 15.0904 k = 0.3333 0.5774 0.1445 ( 3276 PWs) bands (ev): -11.7435 -11.7425 -11.6550 -11.6527 -11.5404 -11.5388 -11.0339 -11.0326 -10.8524 -10.8494 -10.8225 -10.8205 -1.6492 -1.6491 -1.2534 -1.2532 -0.4054 -0.4050 0.7610 0.7628 0.7687 0.7696 1.6615 1.6634 2.7265 2.7306 2.8526 2.8530 3.4334 3.4406 3.5924 3.5991 4.2521 4.2565 4.8504 4.8522 5.6764 5.6852 5.8423 5.8471 6.0729 6.0761 6.7076 6.7087 6.7838 6.7865 6.8557 6.8573 10.0786 10.0793 10.1756 10.1781 10.3541 10.3572 14.1911 14.1935 15.0947 15.1001 k = 0.3333 0.5774 0.1556 ( 3282 PWs) bands (ev): -11.7437 -11.7428 -11.6474 -11.6451 -11.5481 -11.5465 -11.0381 -11.0370 -10.8477 -10.8447 -10.8225 -10.8204 -1.6263 -1.6262 -1.2849 -1.2848 -0.3828 -0.3826 0.7401 0.7418 0.7494 0.7503 1.6631 1.6648 2.7859 2.7903 2.8705 2.8712 3.4058 3.4130 3.5536 3.5598 4.2920 4.2961 4.8130 4.8150 5.6840 5.6925 5.8309 5.8360 6.0891 6.0917 6.7208 6.7218 6.7802 6.7826 6.8502 6.8516 10.0780 10.0787 10.1869 10.1896 10.3425 10.3457 14.1597 14.1617 15.1053 15.1106 k = 0.3333 0.5774 0.1667 ( 3297 PWs) bands (ev): -11.7438 -11.7430 -11.6396 -11.6374 -11.5561 -11.5544 -11.0418 -11.0408 -10.8435 -10.8405 -10.8227 -10.8205 -1.6022 -1.6021 -1.3162 -1.3161 -0.3631 -0.3629 0.7227 0.7242 0.7323 0.7332 1.6624 1.6638 2.8456 2.8504 2.8918 2.8926 3.3720 3.3791 3.5163 3.5218 4.3343 4.3380 4.7740 4.7761 5.6930 5.7013 5.8188 5.8242 6.1031 6.1053 6.7340 6.7350 6.7771 6.7791 6.8438 6.8448 10.0775 10.0780 10.1988 10.2016 10.3304 10.3336 14.1327 14.1343 15.1171 15.1223 k = 0.3333 0.5774 0.1778 ( 3297 PWs) bands (ev): -11.7438 -11.7432 -11.6316 -11.6294 -11.5644 -11.5625 -11.0447 -11.0440 -10.8396 -10.8367 -10.8232 -10.8209 -1.5770 -1.5769 -1.3472 -1.3471 -0.3465 -0.3463 0.7086 0.7101 0.7176 0.7185 1.6604 1.6615 2.9040 2.9105 2.9153 2.9157 3.3328 3.3396 3.4816 3.4864 4.3783 4.3817 4.7335 4.7357 5.7033 5.7113 5.8062 5.8118 6.1148 6.1166 6.7473 6.7481 6.7745 6.7761 6.8363 6.8371 10.0770 10.0775 10.2112 10.2142 10.3178 10.3210 14.1103 14.1117 15.1306 15.1357 k = 0.3333 0.5774 0.1890 ( 3291 PWs) bands (ev): -11.7438 -11.7433 -11.6234 -11.6213 -11.5727 -11.5708 -11.0471 -11.0465 -10.8362 -10.8334 -10.8239 -10.8216 -1.5508 -1.5507 -1.3778 -1.3778 -0.3332 -0.3331 0.6981 0.6995 0.7055 0.7065 1.6579 1.6587 2.9353 2.9372 2.9657 2.9702 3.2889 3.2956 3.4511 3.4551 4.4232 4.4264 4.6916 4.6940 5.7146 5.7223 5.7932 5.7990 6.1242 6.1255 6.7603 6.7610 6.7725 6.7736 6.8279 6.8285 10.0767 10.0770 10.2240 10.2272 10.3048 10.3081 14.0929 14.0939 15.1461 15.1512 k = 0.3333 0.5774 0.2001 ( 3294 PWs) bands (ev): -11.7438 -11.7435 -11.6151 -11.6130 -11.5812 -11.5792 -11.0487 -11.0483 -10.8332 -10.8304 -10.8250 -10.8226 -1.5237 -1.5236 -1.4080 -1.4080 -0.3236 -0.3235 0.6910 0.6923 0.6963 0.6974 1.6556 1.6561 2.9544 2.9557 3.0240 3.0290 3.2413 3.2477 3.4270 3.4298 4.4688 4.4717 4.6486 4.6512 5.7267 5.7342 5.7799 5.7860 6.1310 6.1319 6.7703 6.7718 6.7736 6.7739 6.8187 6.8189 10.0765 10.0767 10.2372 10.2405 10.2915 10.2948 14.0803 14.0810 15.1638 15.1688 k = 0.3333 0.5774 0.2112 ( 3297 PWs) bands (ev): -11.7437 -11.7435 -11.6067 -11.6046 -11.5897 -11.5876 -11.0497 -11.0495 -10.8307 -10.8279 -10.8264 -10.8240 -1.4957 -1.4957 -1.4378 -1.4378 -0.3177 -0.3176 0.6874 0.6886 0.6901 0.6912 1.6540 1.6543 2.9674 2.9681 3.0812 3.0866 3.1904 3.1965 3.4114 3.4129 4.5144 4.5170 4.6046 4.6074 5.7393 5.7467 5.7666 5.7728 6.1352 6.1357 6.7700 6.7706 6.7856 6.7857 6.8085 6.8087 10.0763 10.0765 10.2505 10.2540 10.2781 10.2812 14.0728 14.0732 15.1841 15.1890 k = 0.3333 0.5774 0.2223 ( 3312 PWs) bands (ev): -11.7436 -11.7436 -11.5982 -11.5982 -11.5971 -11.5951 -11.0499 -11.0499 -10.8292 -10.8275 -10.8257 -10.8257 -1.4675 -1.4671 -1.4671 -1.4667 -0.3157 -0.3157 0.6870 0.6873 0.6883 0.6883 1.6536 1.6536 2.9723 2.9723 3.1369 3.1369 3.1402 3.1451 3.4064 3.4064 4.5572 4.5597 4.5597 4.5677 5.7499 5.7557 5.7596 5.7596 6.1368 6.1368 6.7700 6.7700 6.7949 6.7974 6.7974 6.8000 10.0763 10.0763 10.2619 10.2667 10.2676 10.2676 14.0704 14.0704 15.2071 15.2080 Writing output data file SiO2.save init_run : 0.73s CPU 0.45s WALL ( 1 calls) electrons : 355.60s CPU 247.47s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.16s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 355.59s CPU 247.45s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.24s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.37s CPU 0.48s WALL ( 349 calls) cegterg : 312.11s CPU 221.23s WALL ( 430 calls) Called by sum_band: Called by *egterg: h_psi : 197.06s CPU 119.81s WALL ( 7711 calls) s_psi : 12.54s CPU 8.05s WALL ( 7711 calls) g_psi : 0.32s CPU 0.23s WALL ( 6932 calls) cdiaghg : 106.07s CPU 88.68s WALL ( 7281 calls) cegterg:over : 11.74s CPU 8.50s WALL ( 6932 calls) cegterg:upda : 9.13s CPU 7.19s WALL ( 6932 calls) cegterg:last : 4.40s CPU 3.62s WALL ( 1286 calls) cdiaghg:chol : 6.16s CPU 5.04s WALL ( 7281 calls) cdiaghg:inve : 4.05s CPU 3.54s WALL ( 7281 calls) cdiaghg:para : 6.74s CPU 5.89s WALL ( 14562 calls) Called by h_psi: h_psi:vloc : 167.42s CPU 100.02s WALL ( 7711 calls) h_psi:vnl : 29.32s CPU 19.55s WALL ( 7711 calls) add_vuspsi : 16.76s CPU 10.86s WALL ( 7711 calls) General routines calbec : 12.53s CPU 8.67s WALL ( 7711 calls) fft : 0.04s CPU 0.02s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 160.26s CPU 95.23s WALL ( 944720 calls) interpolate : 0.02s CPU 0.01s WALL ( 4 calls) davcio : 0.44s CPU 0.80s WALL ( 698 calls) Parallel routines fft_scatter : 60.84s CPU 39.69s WALL ( 944743 calls) PWSCF : 6m13.06s CPU 4m36.47s WALL This run was terminated on: 4:31:55 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=