Program PWSCF v.5.1.1 starts on 27Jul2015 at 14:39: 8 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./ZnTe.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 34 22 6 2160 1129 176 Max 35 23 7 2169 1149 191 Sum 1111 733 211 69231 36447 5831 bravais-lattice index = 14 lattice parameter (alat) = 7.6439 a.u. unit-cell volume = 893.3138 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 54.00 number of Kohn-Sham states= 64 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.643942 celldm(2)= 1.000000 celldm(3)= 2.309518 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 2.309518 ) 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 0.432991 ) PseudoPot. # 1 for Te read from file: /home/autes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c 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 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Zn read from file: /home/autes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Te 6.00 127.60000 Te( 1.00) Zn 12.00 65.40900 Zn( 1.00) 3 Sym. Ops. (no inversion) found ( 2 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 = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.3333333 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7698393 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 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 ) ( 0.7698393 ) double point group C_3 (3) there are 6 classes and 3 irreducible representations the character table: E -E C3 -C3 C3^2 -C3^2 G_4 1.00 -1.00 0.50 -0.50 0.50 -0.50 G_5 1.00 -1.00 0.50 -0.50 0.50 -0.50 G_6 1.00 -1.00 -1.00 1.00 -1.00 1.00 imaginary part E -E C3 -C3 C3^2 -C3^2 G_4 0.00 0.00 0.87 -0.87 -0.87 0.87 G_5 0.00 0.00 -0.87 0.87 0.87 -0.87 G_6 0.00 0.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C3 2 C3^2 3 -E -1 -C3 -2 -C3^2 -3 Cartesian axes number of k points= 306 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 2) = ( 0.0111111 0.0064150 -0.0000000), wk = 0.0032680 k( 3) = ( 0.0222222 0.0128300 -0.0000000), wk = 0.0032680 k( 4) = ( 0.0333333 0.0192450 -0.0000000), wk = 0.0032680 k( 5) = ( 0.0444444 0.0256600 -0.0000000), wk = 0.0032680 k( 6) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0032680 k( 7) = ( 0.0666667 0.0384900 -0.0000000), wk = 0.0032680 k( 8) = ( 0.0777778 0.0449050 -0.0000000), wk = 0.0032680 k( 9) = ( 0.0888889 0.0513200 -0.0000000), wk = 0.0032680 k( 10) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0032680 k( 11) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0032680 k( 12) = ( 0.1222222 0.0705650 -0.0000000), wk = 0.0032680 k( 13) = ( 0.1333333 0.0769800 -0.0000000), wk = 0.0032680 k( 14) = ( 0.1444444 0.0833950 -0.0000000), wk = 0.0032680 k( 15) = ( 0.1555556 0.0898100 -0.0000000), wk = 0.0032680 k( 16) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0032680 k( 17) = ( 0.1777778 0.1026400 -0.0000000), wk = 0.0032680 k( 18) = ( 0.1888889 0.1090551 -0.0000000), wk = 0.0032680 k( 19) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0032680 k( 20) = ( 0.2111111 0.1218851 -0.0000000), wk = 0.0032680 k( 21) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0032680 k( 22) = ( 0.2333333 0.1347151 -0.0000000), wk = 0.0032680 k( 23) = ( 0.2444444 0.1411301 -0.0000000), wk = 0.0032680 k( 24) = ( 0.2555556 0.1475451 -0.0000000), wk = 0.0032680 k( 25) = ( 0.2666667 0.1539601 -0.0000000), wk = 0.0032680 k( 26) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0032680 k( 27) = ( 0.2888889 0.1667901 -0.0000000), wk = 0.0032680 k( 28) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0032680 k( 29) = ( 0.3111111 0.1796201 -0.0000000), wk = 0.0032680 k( 30) = ( 0.3222222 0.1860351 -0.0000000), wk = 0.0032680 k( 31) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0032680 k( 32) = ( 0.3444444 0.1988651 -0.0000000), wk = 0.0032680 k( 33) = ( 0.3555556 0.2052801 -0.0000000), wk = 0.0032680 k( 34) = ( 0.3666667 0.2116951 -0.0000000), wk = 0.0032680 k( 35) = ( 0.3777778 0.2181101 -0.0000000), wk = 0.0032680 k( 36) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0032680 k( 37) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0032680 k( 38) = ( 0.4111111 0.2373551 -0.0000000), wk = 0.0032680 k( 39) = ( 0.4222222 0.2437701 -0.0000000), wk = 0.0032680 k( 40) = ( 0.4333333 0.2501851 -0.0000000), wk = 0.0032680 k( 41) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0032680 k( 42) = ( 0.4555556 0.2630151 -0.0000000), wk = 0.0032680 k( 43) = ( 0.4666667 0.2694301 -0.0000000), wk = 0.0032680 k( 44) = ( 0.4777778 0.2758451 -0.0000000), wk = 0.0032680 k( 45) = ( 0.4888889 0.2822601 -0.0000000), wk = 0.0032680 k( 46) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032680 k( 47) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032680 k( 48) = ( 0.4935897 0.2997780 -0.0000000), wk = 0.0032680 k( 49) = ( 0.4871795 0.3108809 -0.0000000), wk = 0.0032680 k( 50) = ( 0.4807692 0.3219838 -0.0000000), wk = 0.0032680 k( 51) = ( 0.4743590 0.3330867 -0.0000000), wk = 0.0032680 k( 52) = ( 0.4679487 0.3441896 -0.0000000), wk = 0.0032680 k( 53) = ( 0.4615385 0.3552925 -0.0000000), wk = 0.0032680 k( 54) = ( 0.4551282 0.3663954 -0.0000000), wk = 0.0032680 k( 55) = ( 0.4487179 0.3774983 -0.0000000), wk = 0.0032680 k( 56) = ( 0.4423077 0.3886011 -0.0000000), wk = 0.0032680 k( 57) = ( 0.4358974 0.3997040 -0.0000000), wk = 0.0032680 k( 58) = ( 0.4294872 0.4108069 -0.0000000), wk = 0.0032680 k( 59) = ( 0.4230769 0.4219098 -0.0000000), wk = 0.0032680 k( 60) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0032680 k( 61) = ( 0.4102564 0.4441156 -0.0000000), wk = 0.0032680 k( 62) = ( 0.4038462 0.4552185 -0.0000000), wk = 0.0032680 k( 63) = ( 0.3974359 0.4663214 -0.0000000), wk = 0.0032680 k( 64) = ( 0.3910256 0.4774243 -0.0000000), wk = 0.0032680 k( 65) = ( 0.3846154 0.4885271 -0.0000000), wk = 0.0032680 k( 66) = ( 0.3782051 0.4996300 -0.0000000), wk = 0.0032680 k( 67) = ( 0.3717949 0.5107329 -0.0000000), wk = 0.0032680 k( 68) = ( 0.3653846 0.5218358 -0.0000000), wk = 0.0032680 k( 69) = ( 0.3589744 0.5329387 -0.0000000), wk = 0.0032680 k( 70) = ( 0.3525641 0.5440416 -0.0000000), wk = 0.0032680 k( 71) = ( 0.3461538 0.5551445 -0.0000000), wk = 0.0032680 k( 72) = ( 0.3397436 0.5662474 -0.0000000), wk = 0.0032680 k( 73) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032680 k( 74) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032680 k( 75) = ( 0.3269231 0.5662474 -0.0000000), wk = 0.0032680 k( 76) = ( 0.3205128 0.5551445 -0.0000000), wk = 0.0032680 k( 77) = ( 0.3141026 0.5440416 -0.0000000), wk = 0.0032680 k( 78) = ( 0.3076923 0.5329387 -0.0000000), wk = 0.0032680 k( 79) = ( 0.3012821 0.5218358 -0.0000000), wk = 0.0032680 k( 80) = ( 0.2948718 0.5107329 -0.0000000), wk = 0.0032680 k( 81) = ( 0.2884615 0.4996300 -0.0000000), wk = 0.0032680 k( 82) = ( 0.2820513 0.4885271 -0.0000000), wk = 0.0032680 k( 83) = ( 0.2756410 0.4774243 -0.0000000), wk = 0.0032680 k( 84) = ( 0.2692308 0.4663214 -0.0000000), wk = 0.0032680 k( 85) = ( 0.2628205 0.4552185 -0.0000000), wk = 0.0032680 k( 86) = ( 0.2564103 0.4441156 -0.0000000), wk = 0.0032680 k( 87) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0032680 k( 88) = ( 0.2435897 0.4219098 -0.0000000), wk = 0.0032680 k( 89) = ( 0.2371795 0.4108069 -0.0000000), wk = 0.0032680 k( 90) = ( 0.2307692 0.3997040 -0.0000000), wk = 0.0032680 k( 91) = ( 0.2243590 0.3886011 -0.0000000), wk = 0.0032680 k( 92) = ( 0.2179487 0.3774983 -0.0000000), wk = 0.0032680 k( 93) = ( 0.2115385 0.3663954 -0.0000000), wk = 0.0032680 k( 94) = ( 0.2051282 0.3552925 -0.0000000), wk = 0.0032680 k( 95) = ( 0.1987180 0.3441896 -0.0000000), wk = 0.0032680 k( 96) = ( 0.1923077 0.3330867 -0.0000000), wk = 0.0032680 k( 97) = ( 0.1858974 0.3219838 -0.0000000), wk = 0.0032680 k( 98) = ( 0.1794872 0.3108809 -0.0000000), wk = 0.0032680 k( 99) = ( 0.1730769 0.2997780 -0.0000000), wk = 0.0032680 k( 100) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0032680 k( 101) = ( 0.1602564 0.2775722 -0.0000000), wk = 0.0032680 k( 102) = ( 0.1538461 0.2664693 -0.0000000), wk = 0.0032680 k( 103) = ( 0.1474359 0.2553665 -0.0000000), wk = 0.0032680 k( 104) = ( 0.1410256 0.2442636 -0.0000000), wk = 0.0032680 k( 105) = ( 0.1346154 0.2331607 -0.0000000), wk = 0.0032680 k( 106) = ( 0.1282051 0.2220578 -0.0000000), wk = 0.0032680 k( 107) = ( 0.1217949 0.2109549 -0.0000000), wk = 0.0032680 k( 108) = ( 0.1153846 0.1998520 -0.0000000), wk = 0.0032680 k( 109) = ( 0.1089744 0.1887491 -0.0000000), wk = 0.0032680 k( 110) = ( 0.1025641 0.1776462 -0.0000000), wk = 0.0032680 k( 111) = ( 0.0961538 0.1665434 -0.0000000), wk = 0.0032680 k( 112) = ( 0.0897436 0.1554405 -0.0000000), wk = 0.0032680 k( 113) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0032680 k( 114) = ( 0.0769231 0.1332347 -0.0000000), wk = 0.0032680 k( 115) = ( 0.0705128 0.1221318 -0.0000000), wk = 0.0032680 k( 116) = ( 0.0641026 0.1110289 -0.0000000), wk = 0.0032680 k( 117) = ( 0.0576923 0.0999260 -0.0000000), wk = 0.0032680 k( 118) = ( 0.0512821 0.0888231 -0.0000000), wk = 0.0032680 k( 119) = ( 0.0448718 0.0777202 -0.0000000), wk = 0.0032680 k( 120) = ( 0.0384615 0.0666173 -0.0000000), wk = 0.0032680 k( 121) = ( 0.0320513 0.0555144 -0.0000000), wk = 0.0032680 k( 122) = ( 0.0256410 0.0444116 -0.0000000), wk = 0.0032680 k( 123) = ( 0.0192308 0.0333087 -0.0000000), wk = 0.0032680 k( 124) = ( 0.0128205 0.0222058 -0.0000000), wk = 0.0032680 k( 125) = ( 0.0064103 0.0111029 -0.0000000), wk = 0.0032680 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 128) = ( 0.0000000 0.0000000 0.0127350), wk = 0.0032680 k( 129) = ( 0.0000000 0.0000000 0.0254700), wk = 0.0032680 k( 130) = ( 0.0000000 0.0000000 0.0382051), wk = 0.0032680 k( 131) = ( 0.0000000 0.0000000 0.0509401), wk = 0.0032680 k( 132) = ( 0.0000000 0.0000000 0.0636751), wk = 0.0032680 k( 133) = ( 0.0000000 0.0000000 0.0764101), wk = 0.0032680 k( 134) = ( 0.0000000 0.0000000 0.0891452), wk = 0.0032680 k( 135) = ( 0.0000000 0.0000000 0.1018802), wk = 0.0032680 k( 136) = ( 0.0000000 0.0000000 0.1146152), wk = 0.0032680 k( 137) = ( 0.0000000 0.0000000 0.1273502), wk = 0.0032680 k( 138) = ( 0.0000000 0.0000000 0.1400853), wk = 0.0032680 k( 139) = ( 0.0000000 0.0000000 0.1528203), wk = 0.0032680 k( 140) = ( 0.0000000 0.0000000 0.1655553), wk = 0.0032680 k( 141) = ( 0.0000000 0.0000000 0.1782903), wk = 0.0032680 k( 142) = ( 0.0000000 0.0000000 0.1910254), wk = 0.0032680 k( 143) = ( 0.0000000 0.0000000 0.2037604), wk = 0.0032680 k( 144) = ( 0.0000000 0.0000000 0.2164954), wk = 0.0032680 k( 145) = ( 0.0000000 0.0000000 0.2164954), wk = 0.0032680 k( 146) = ( 0.0111111 0.0064150 0.2164954), wk = 0.0032680 k( 147) = ( 0.0222222 0.0128300 0.2164954), wk = 0.0032680 k( 148) = ( 0.0333333 0.0192450 0.2164954), wk = 0.0032680 k( 149) = ( 0.0444444 0.0256600 0.2164954), wk = 0.0032680 k( 150) = ( 0.0555556 0.0320750 0.2164954), wk = 0.0032680 k( 151) = ( 0.0666667 0.0384900 0.2164954), wk = 0.0032680 k( 152) = ( 0.0777778 0.0449050 0.2164954), wk = 0.0032680 k( 153) = ( 0.0888889 0.0513200 0.2164954), wk = 0.0032680 k( 154) = ( 0.1000000 0.0577350 0.2164954), wk = 0.0032680 k( 155) = ( 0.1111111 0.0641500 0.2164954), wk = 0.0032680 k( 156) = ( 0.1222222 0.0705650 0.2164954), wk = 0.0032680 k( 157) = ( 0.1333333 0.0769800 0.2164954), wk = 0.0032680 k( 158) = ( 0.1444444 0.0833950 0.2164954), wk = 0.0032680 k( 159) = ( 0.1555556 0.0898100 0.2164954), wk = 0.0032680 k( 160) = ( 0.1666667 0.0962250 0.2164954), wk = 0.0032680 k( 161) = ( 0.1777778 0.1026400 0.2164954), wk = 0.0032680 k( 162) = ( 0.1888889 0.1090551 0.2164954), wk = 0.0032680 k( 163) = ( 0.2000000 0.1154701 0.2164954), wk = 0.0032680 k( 164) = ( 0.2111111 0.1218851 0.2164954), wk = 0.0032680 k( 165) = ( 0.2222222 0.1283001 0.2164954), wk = 0.0032680 k( 166) = ( 0.2333333 0.1347151 0.2164954), wk = 0.0032680 k( 167) = ( 0.2444444 0.1411301 0.2164954), wk = 0.0032680 k( 168) = ( 0.2555556 0.1475451 0.2164954), wk = 0.0032680 k( 169) = ( 0.2666667 0.1539601 0.2164954), wk = 0.0032680 k( 170) = ( 0.2777778 0.1603751 0.2164954), wk = 0.0032680 k( 171) = ( 0.2888889 0.1667901 0.2164954), wk = 0.0032680 k( 172) = ( 0.3000000 0.1732051 0.2164954), wk = 0.0032680 k( 173) = ( 0.3111111 0.1796201 0.2164954), wk = 0.0032680 k( 174) = ( 0.3222222 0.1860351 0.2164954), wk = 0.0032680 k( 175) = ( 0.3333333 0.1924501 0.2164954), wk = 0.0032680 k( 176) = ( 0.3444444 0.1988651 0.2164954), wk = 0.0032680 k( 177) = ( 0.3555556 0.2052801 0.2164954), wk = 0.0032680 k( 178) = ( 0.3666667 0.2116951 0.2164954), wk = 0.0032680 k( 179) = ( 0.3777778 0.2181101 0.2164954), wk = 0.0032680 k( 180) = ( 0.3888889 0.2245251 0.2164954), wk = 0.0032680 k( 181) = ( 0.4000000 0.2309401 0.2164954), wk = 0.0032680 k( 182) = ( 0.4111111 0.2373551 0.2164954), wk = 0.0032680 k( 183) = ( 0.4222222 0.2437701 0.2164954), wk = 0.0032680 k( 184) = ( 0.4333333 0.2501851 0.2164954), wk = 0.0032680 k( 185) = ( 0.4444444 0.2566001 0.2164954), wk = 0.0032680 k( 186) = ( 0.4555556 0.2630151 0.2164954), wk = 0.0032680 k( 187) = ( 0.4666667 0.2694301 0.2164954), wk = 0.0032680 k( 188) = ( 0.4777778 0.2758451 0.2164954), wk = 0.0032680 k( 189) = ( 0.4888889 0.2822601 0.2164954), wk = 0.0032680 k( 190) = ( 0.5000000 0.2886751 0.2164954), wk = 0.0032680 k( 191) = ( 0.5000000 0.2886751 0.2164954), wk = 0.0032680 k( 192) = ( 0.4935897 0.2997780 0.2164954), wk = 0.0032680 k( 193) = ( 0.4871795 0.3108809 0.2164954), wk = 0.0032680 k( 194) = ( 0.4807692 0.3219838 0.2164954), wk = 0.0032680 k( 195) = ( 0.4743590 0.3330867 0.2164954), wk = 0.0032680 k( 196) = ( 0.4679487 0.3441896 0.2164954), wk = 0.0032680 k( 197) = ( 0.4615385 0.3552925 0.2164954), wk = 0.0032680 k( 198) = ( 0.4551282 0.3663954 0.2164954), wk = 0.0032680 k( 199) = ( 0.4487179 0.3774983 0.2164954), wk = 0.0032680 k( 200) = ( 0.4423077 0.3886011 0.2164954), wk = 0.0032680 k( 201) = ( 0.4358974 0.3997040 0.2164954), wk = 0.0032680 k( 202) = ( 0.4294872 0.4108069 0.2164954), wk = 0.0032680 k( 203) = ( 0.4230769 0.4219098 0.2164954), wk = 0.0032680 k( 204) = ( 0.4166667 0.4330127 0.2164954), wk = 0.0032680 k( 205) = ( 0.4102564 0.4441156 0.2164954), wk = 0.0032680 k( 206) = ( 0.4038462 0.4552185 0.2164954), wk = 0.0032680 k( 207) = ( 0.3974359 0.4663214 0.2164954), wk = 0.0032680 k( 208) = ( 0.3910256 0.4774243 0.2164954), wk = 0.0032680 k( 209) = ( 0.3846154 0.4885271 0.2164954), wk = 0.0032680 k( 210) = ( 0.3782051 0.4996300 0.2164954), wk = 0.0032680 k( 211) = ( 0.3717949 0.5107329 0.2164954), wk = 0.0032680 k( 212) = ( 0.3653846 0.5218358 0.2164954), wk = 0.0032680 k( 213) = ( 0.3589744 0.5329387 0.2164954), wk = 0.0032680 k( 214) = ( 0.3525641 0.5440416 0.2164954), wk = 0.0032680 k( 215) = ( 0.3461538 0.5551445 0.2164954), wk = 0.0032680 k( 216) = ( 0.3397436 0.5662474 0.2164954), wk = 0.0032680 k( 217) = ( 0.3333333 0.5773503 0.2164954), wk = 0.0032680 k( 218) = ( 0.3333333 0.5773503 0.2164954), wk = 0.0032680 k( 219) = ( 0.3269231 0.5662474 0.2164954), wk = 0.0032680 k( 220) = ( 0.3205128 0.5551445 0.2164954), wk = 0.0032680 k( 221) = ( 0.3141026 0.5440416 0.2164954), wk = 0.0032680 k( 222) = ( 0.3076923 0.5329387 0.2164954), wk = 0.0032680 k( 223) = ( 0.3012821 0.5218358 0.2164954), wk = 0.0032680 k( 224) = ( 0.2948718 0.5107329 0.2164954), wk = 0.0032680 k( 225) = ( 0.2884615 0.4996300 0.2164954), wk = 0.0032680 k( 226) = ( 0.2820513 0.4885271 0.2164954), wk = 0.0032680 k( 227) = ( 0.2756410 0.4774243 0.2164954), wk = 0.0032680 k( 228) = ( 0.2692308 0.4663214 0.2164954), wk = 0.0032680 k( 229) = ( 0.2628205 0.4552185 0.2164954), wk = 0.0032680 k( 230) = ( 0.2564103 0.4441156 0.2164954), wk = 0.0032680 k( 231) = ( 0.2500000 0.4330127 0.2164954), wk = 0.0032680 k( 232) = ( 0.2435897 0.4219098 0.2164954), wk = 0.0032680 k( 233) = ( 0.2371795 0.4108069 0.2164954), wk = 0.0032680 k( 234) = ( 0.2307692 0.3997040 0.2164954), wk = 0.0032680 k( 235) = ( 0.2243590 0.3886011 0.2164954), wk = 0.0032680 k( 236) = ( 0.2179487 0.3774983 0.2164954), wk = 0.0032680 k( 237) = ( 0.2115385 0.3663954 0.2164954), wk = 0.0032680 k( 238) = ( 0.2051282 0.3552925 0.2164954), wk = 0.0032680 k( 239) = ( 0.1987180 0.3441896 0.2164954), wk = 0.0032680 k( 240) = ( 0.1923077 0.3330867 0.2164954), wk = 0.0032680 k( 241) = ( 0.1858974 0.3219838 0.2164954), wk = 0.0032680 k( 242) = ( 0.1794872 0.3108809 0.2164954), wk = 0.0032680 k( 243) = ( 0.1730769 0.2997780 0.2164954), wk = 0.0032680 k( 244) = ( 0.1666667 0.2886751 0.2164954), wk = 0.0032680 k( 245) = ( 0.1602564 0.2775722 0.2164954), wk = 0.0032680 k( 246) = ( 0.1538461 0.2664693 0.2164954), wk = 0.0032680 k( 247) = ( 0.1474359 0.2553665 0.2164954), wk = 0.0032680 k( 248) = ( 0.1410256 0.2442636 0.2164954), wk = 0.0032680 k( 249) = ( 0.1346154 0.2331607 0.2164954), wk = 0.0032680 k( 250) = ( 0.1282051 0.2220578 0.2164954), wk = 0.0032680 k( 251) = ( 0.1217949 0.2109549 0.2164954), wk = 0.0032680 k( 252) = ( 0.1153846 0.1998520 0.2164954), wk = 0.0032680 k( 253) = ( 0.1089744 0.1887491 0.2164954), wk = 0.0032680 k( 254) = ( 0.1025641 0.1776462 0.2164954), wk = 0.0032680 k( 255) = ( 0.0961538 0.1665434 0.2164954), wk = 0.0032680 k( 256) = ( 0.0897436 0.1554405 0.2164954), wk = 0.0032680 k( 257) = ( 0.0833333 0.1443376 0.2164954), wk = 0.0032680 k( 258) = ( 0.0769231 0.1332347 0.2164954), wk = 0.0032680 k( 259) = ( 0.0705128 0.1221318 0.2164954), wk = 0.0032680 k( 260) = ( 0.0641026 0.1110289 0.2164954), wk = 0.0032680 k( 261) = ( 0.0576923 0.0999260 0.2164954), wk = 0.0032680 k( 262) = ( 0.0512821 0.0888231 0.2164954), wk = 0.0032680 k( 263) = ( 0.0448718 0.0777202 0.2164954), wk = 0.0032680 k( 264) = ( 0.0384615 0.0666173 0.2164954), wk = 0.0032680 k( 265) = ( 0.0320513 0.0555144 0.2164954), wk = 0.0032680 k( 266) = ( 0.0256410 0.0444116 0.2164954), wk = 0.0032680 k( 267) = ( 0.0192308 0.0333087 0.2164954), wk = 0.0032680 k( 268) = ( 0.0128205 0.0222058 0.2164954), wk = 0.0032680 k( 269) = ( 0.0064103 0.0111029 0.2164954), wk = 0.0032680 k( 270) = ( 0.0000000 0.0000000 0.2164954), wk = 0.0032680 k( 271) = ( 0.5000000 0.2886751 0.2164954), wk = 0.0032680 k( 272) = ( 0.5000000 0.2886751 0.2037604), wk = 0.0032680 k( 273) = ( 0.5000000 0.2886751 0.1910254), wk = 0.0032680 k( 274) = ( 0.5000000 0.2886751 0.1782903), wk = 0.0032680 k( 275) = ( 0.5000000 0.2886751 0.1655553), wk = 0.0032680 k( 276) = ( 0.5000000 0.2886751 0.1528203), wk = 0.0032680 k( 277) = ( 0.5000000 0.2886751 0.1400853), wk = 0.0032680 k( 278) = ( 0.5000000 0.2886751 0.1273502), wk = 0.0032680 k( 279) = ( 0.5000000 0.2886751 0.1146152), wk = 0.0032680 k( 280) = ( 0.5000000 0.2886751 0.1018802), wk = 0.0032680 k( 281) = ( 0.5000000 0.2886751 0.0891452), wk = 0.0032680 k( 282) = ( 0.5000000 0.2886751 0.0764101), wk = 0.0032680 k( 283) = ( 0.5000000 0.2886751 0.0636751), wk = 0.0032680 k( 284) = ( 0.5000000 0.2886751 0.0509401), wk = 0.0032680 k( 285) = ( 0.5000000 0.2886751 0.0382051), wk = 0.0032680 k( 286) = ( 0.5000000 0.2886751 0.0254700), wk = 0.0032680 k( 287) = ( 0.5000000 0.2886751 0.0127350), wk = 0.0032680 k( 288) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032680 k( 289) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032680 k( 290) = ( 0.3333333 0.5773503 0.0127350), wk = 0.0032680 k( 291) = ( 0.3333333 0.5773503 0.0254700), wk = 0.0032680 k( 292) = ( 0.3333333 0.5773503 0.0382051), wk = 0.0032680 k( 293) = ( 0.3333333 0.5773503 0.0509401), wk = 0.0032680 k( 294) = ( 0.3333333 0.5773503 0.0636751), wk = 0.0032680 k( 295) = ( 0.3333333 0.5773503 0.0764101), wk = 0.0032680 k( 296) = ( 0.3333333 0.5773503 0.0891452), wk = 0.0032680 k( 297) = ( 0.3333333 0.5773503 0.1018802), wk = 0.0032680 k( 298) = ( 0.3333333 0.5773503 0.1146152), wk = 0.0032680 k( 299) = ( 0.3333333 0.5773503 0.1273502), wk = 0.0032680 k( 300) = ( 0.3333333 0.5773503 0.1400853), wk = 0.0032680 k( 301) = ( 0.3333333 0.5773503 0.1528203), wk = 0.0032680 k( 302) = ( 0.3333333 0.5773503 0.1655553), wk = 0.0032680 k( 303) = ( 0.3333333 0.5773503 0.1782903), wk = 0.0032680 k( 304) = ( 0.3333333 0.5773503 0.1910254), wk = 0.0032680 k( 305) = ( 0.3333333 0.5773503 0.2037604), wk = 0.0032680 k( 306) = ( 0.3333333 0.5773503 0.2164954), wk = 0.0032680 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 2) = ( 0.0111111 0.0000000 0.0000000), wk = 0.0032680 k( 3) = ( 0.0222222 0.0000000 0.0000000), wk = 0.0032680 k( 4) = ( 0.0333333 0.0000000 0.0000000), wk = 0.0032680 k( 5) = ( 0.0444444 0.0000000 0.0000000), wk = 0.0032680 k( 6) = ( 0.0555556 0.0000000 0.0000000), wk = 0.0032680 k( 7) = ( 0.0666667 0.0000000 0.0000000), wk = 0.0032680 k( 8) = ( 0.0777778 0.0000000 0.0000000), wk = 0.0032680 k( 9) = ( 0.0888889 0.0000000 0.0000000), wk = 0.0032680 k( 10) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0032680 k( 11) = ( 0.1111111 0.0000000 0.0000000), wk = 0.0032680 k( 12) = ( 0.1222222 0.0000000 0.0000000), wk = 0.0032680 k( 13) = ( 0.1333333 0.0000000 0.0000000), wk = 0.0032680 k( 14) = ( 0.1444444 0.0000000 0.0000000), wk = 0.0032680 k( 15) = ( 0.1555556 0.0000000 0.0000000), wk = 0.0032680 k( 16) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0032680 k( 17) = ( 0.1777778 0.0000000 0.0000000), wk = 0.0032680 k( 18) = ( 0.1888889 0.0000000 0.0000000), wk = 0.0032680 k( 19) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0032680 k( 20) = ( 0.2111111 0.0000000 0.0000000), wk = 0.0032680 k( 21) = ( 0.2222222 0.0000000 0.0000000), wk = 0.0032680 k( 22) = ( 0.2333333 0.0000000 0.0000000), wk = 0.0032680 k( 23) = ( 0.2444444 0.0000000 0.0000000), wk = 0.0032680 k( 24) = ( 0.2555556 0.0000000 0.0000000), wk = 0.0032680 k( 25) = ( 0.2666667 0.0000000 0.0000000), wk = 0.0032680 k( 26) = ( 0.2777778 0.0000000 0.0000000), wk = 0.0032680 k( 27) = ( 0.2888889 -0.0000000 0.0000000), wk = 0.0032680 k( 28) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0032680 k( 29) = ( 0.3111111 -0.0000000 0.0000000), wk = 0.0032680 k( 30) = ( 0.3222222 0.0000000 0.0000000), wk = 0.0032680 k( 31) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0032680 k( 32) = ( 0.3444444 0.0000000 0.0000000), wk = 0.0032680 k( 33) = ( 0.3555556 0.0000000 0.0000000), wk = 0.0032680 k( 34) = ( 0.3666667 0.0000000 0.0000000), wk = 0.0032680 k( 35) = ( 0.3777778 0.0000000 0.0000000), wk = 0.0032680 k( 36) = ( 0.3888889 0.0000000 0.0000000), wk = 0.0032680 k( 37) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0032680 k( 38) = ( 0.4111111 0.0000000 0.0000000), wk = 0.0032680 k( 39) = ( 0.4222222 0.0000000 0.0000000), wk = 0.0032680 k( 40) = ( 0.4333333 0.0000000 0.0000000), wk = 0.0032680 k( 41) = ( 0.4444444 0.0000000 0.0000000), wk = 0.0032680 k( 42) = ( 0.4555556 0.0000000 0.0000000), wk = 0.0032680 k( 43) = ( 0.4666667 -0.0000000 0.0000000), wk = 0.0032680 k( 44) = ( 0.4777778 0.0000000 0.0000000), wk = 0.0032680 k( 45) = ( 0.4888889 0.0000000 0.0000000), wk = 0.0032680 k( 46) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032680 k( 47) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032680 k( 48) = ( 0.4935897 0.0128205 0.0000000), wk = 0.0032680 k( 49) = ( 0.4871795 0.0256410 0.0000000), wk = 0.0032680 k( 50) = ( 0.4807692 0.0384615 0.0000000), wk = 0.0032680 k( 51) = ( 0.4743590 0.0512820 0.0000000), wk = 0.0032680 k( 52) = ( 0.4679487 0.0641026 0.0000000), wk = 0.0032680 k( 53) = ( 0.4615385 0.0769231 0.0000000), wk = 0.0032680 k( 54) = ( 0.4551282 0.0897436 0.0000000), wk = 0.0032680 k( 55) = ( 0.4487179 0.1025641 0.0000000), wk = 0.0032680 k( 56) = ( 0.4423077 0.1153846 0.0000000), wk = 0.0032680 k( 57) = ( 0.4358974 0.1282051 0.0000000), wk = 0.0032680 k( 58) = ( 0.4294872 0.1410256 0.0000000), wk = 0.0032680 k( 59) = ( 0.4230769 0.1538461 0.0000000), wk = 0.0032680 k( 60) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0032680 k( 61) = ( 0.4102564 0.1794872 0.0000000), wk = 0.0032680 k( 62) = ( 0.4038462 0.1923077 0.0000000), wk = 0.0032680 k( 63) = ( 0.3974359 0.2051282 0.0000000), wk = 0.0032680 k( 64) = ( 0.3910256 0.2179487 0.0000000), wk = 0.0032680 k( 65) = ( 0.3846154 0.2307692 0.0000000), wk = 0.0032680 k( 66) = ( 0.3782051 0.2435897 0.0000000), wk = 0.0032680 k( 67) = ( 0.3717949 0.2564103 0.0000000), wk = 0.0032680 k( 68) = ( 0.3653846 0.2692308 0.0000000), wk = 0.0032680 k( 69) = ( 0.3589744 0.2820513 0.0000000), wk = 0.0032680 k( 70) = ( 0.3525641 0.2948718 0.0000000), wk = 0.0032680 k( 71) = ( 0.3461538 0.3076923 0.0000000), wk = 0.0032680 k( 72) = ( 0.3397436 0.3205128 0.0000000), wk = 0.0032680 k( 73) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032680 k( 74) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032680 k( 75) = ( 0.3269231 0.3269231 0.0000000), wk = 0.0032680 k( 76) = ( 0.3205128 0.3205128 0.0000000), wk = 0.0032680 k( 77) = ( 0.3141026 0.3141026 0.0000000), wk = 0.0032680 k( 78) = ( 0.3076923 0.3076923 0.0000000), wk = 0.0032680 k( 79) = ( 0.3012821 0.3012821 0.0000000), wk = 0.0032680 k( 80) = ( 0.2948718 0.2948718 0.0000000), wk = 0.0032680 k( 81) = ( 0.2884615 0.2884615 0.0000000), wk = 0.0032680 k( 82) = ( 0.2820513 0.2820513 0.0000000), wk = 0.0032680 k( 83) = ( 0.2756410 0.2756410 0.0000000), wk = 0.0032680 k( 84) = ( 0.2692308 0.2692308 0.0000000), wk = 0.0032680 k( 85) = ( 0.2628205 0.2628205 0.0000000), wk = 0.0032680 k( 86) = ( 0.2564103 0.2564103 0.0000000), wk = 0.0032680 k( 87) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0032680 k( 88) = ( 0.2435897 0.2435897 0.0000000), wk = 0.0032680 k( 89) = ( 0.2371795 0.2371795 0.0000000), wk = 0.0032680 k( 90) = ( 0.2307692 0.2307692 0.0000000), wk = 0.0032680 k( 91) = ( 0.2243590 0.2243590 0.0000000), wk = 0.0032680 k( 92) = ( 0.2179487 0.2179487 0.0000000), wk = 0.0032680 k( 93) = ( 0.2115385 0.2115385 0.0000000), wk = 0.0032680 k( 94) = ( 0.2051282 0.2051282 0.0000000), wk = 0.0032680 k( 95) = ( 0.1987180 0.1987180 0.0000000), wk = 0.0032680 k( 96) = ( 0.1923077 0.1923077 0.0000000), wk = 0.0032680 k( 97) = ( 0.1858974 0.1858974 0.0000000), wk = 0.0032680 k( 98) = ( 0.1794872 0.1794872 0.0000000), wk = 0.0032680 k( 99) = ( 0.1730769 0.1730769 0.0000000), wk = 0.0032680 k( 100) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0032680 k( 101) = ( 0.1602564 0.1602564 0.0000000), wk = 0.0032680 k( 102) = ( 0.1538461 0.1538461 0.0000000), wk = 0.0032680 k( 103) = ( 0.1474359 0.1474359 0.0000000), wk = 0.0032680 k( 104) = ( 0.1410256 0.1410256 0.0000000), wk = 0.0032680 k( 105) = ( 0.1346154 0.1346154 0.0000000), wk = 0.0032680 k( 106) = ( 0.1282051 0.1282051 0.0000000), wk = 0.0032680 k( 107) = ( 0.1217949 0.1217949 0.0000000), wk = 0.0032680 k( 108) = ( 0.1153846 0.1153846 0.0000000), wk = 0.0032680 k( 109) = ( 0.1089744 0.1089744 0.0000000), wk = 0.0032680 k( 110) = ( 0.1025641 0.1025641 -0.0000000), wk = 0.0032680 k( 111) = ( 0.0961538 0.0961538 0.0000000), wk = 0.0032680 k( 112) = ( 0.0897436 0.0897436 0.0000000), wk = 0.0032680 k( 113) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0032680 k( 114) = ( 0.0769231 0.0769231 0.0000000), wk = 0.0032680 k( 115) = ( 0.0705128 0.0705128 0.0000000), wk = 0.0032680 k( 116) = ( 0.0641026 0.0641026 0.0000000), wk = 0.0032680 k( 117) = ( 0.0576923 0.0576923 0.0000000), wk = 0.0032680 k( 118) = ( 0.0512821 0.0512821 -0.0000000), wk = 0.0032680 k( 119) = ( 0.0448718 0.0448718 0.0000000), wk = 0.0032680 k( 120) = ( 0.0384615 0.0384615 0.0000000), wk = 0.0032680 k( 121) = ( 0.0320513 0.0320513 0.0000000), wk = 0.0032680 k( 122) = ( 0.0256410 0.0256410 0.0000000), wk = 0.0032680 k( 123) = ( 0.0192308 0.0192308 0.0000000), wk = 0.0032680 k( 124) = ( 0.0128205 0.0128205 0.0000000), wk = 0.0032680 k( 125) = ( 0.0064103 0.0064103 0.0000000), wk = 0.0032680 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032680 k( 128) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0032680 k( 129) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0032680 k( 130) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0032680 k( 131) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0032680 k( 132) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0032680 k( 133) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0032680 k( 134) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0032680 k( 135) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0032680 k( 136) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0032680 k( 137) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0032680 k( 138) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0032680 k( 139) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0032680 k( 140) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0032680 k( 141) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0032680 k( 142) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0032680 k( 143) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0032680 k( 144) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032680 k( 145) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032680 k( 146) = ( 0.0111111 0.0000000 0.5000000), wk = 0.0032680 k( 147) = ( 0.0222222 0.0000000 0.5000000), wk = 0.0032680 k( 148) = ( 0.0333333 0.0000000 0.5000000), wk = 0.0032680 k( 149) = ( 0.0444444 0.0000000 0.5000000), wk = 0.0032680 k( 150) = ( 0.0555556 0.0000000 0.5000000), wk = 0.0032680 k( 151) = ( 0.0666667 0.0000000 0.5000000), wk = 0.0032680 k( 152) = ( 0.0777778 0.0000000 0.5000000), wk = 0.0032680 k( 153) = ( 0.0888889 0.0000000 0.5000000), wk = 0.0032680 k( 154) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0032680 k( 155) = ( 0.1111111 0.0000000 0.5000000), wk = 0.0032680 k( 156) = ( 0.1222222 0.0000000 0.5000000), wk = 0.0032680 k( 157) = ( 0.1333333 0.0000000 0.5000000), wk = 0.0032680 k( 158) = ( 0.1444444 0.0000000 0.5000000), wk = 0.0032680 k( 159) = ( 0.1555556 0.0000000 0.5000000), wk = 0.0032680 k( 160) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0032680 k( 161) = ( 0.1777778 0.0000000 0.5000000), wk = 0.0032680 k( 162) = ( 0.1888889 0.0000000 0.5000000), wk = 0.0032680 k( 163) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0032680 k( 164) = ( 0.2111111 0.0000000 0.5000000), wk = 0.0032680 k( 165) = ( 0.2222222 0.0000000 0.5000000), wk = 0.0032680 k( 166) = ( 0.2333333 0.0000000 0.5000000), wk = 0.0032680 k( 167) = ( 0.2444444 0.0000000 0.5000000), wk = 0.0032680 k( 168) = ( 0.2555556 0.0000000 0.5000000), wk = 0.0032680 k( 169) = ( 0.2666667 0.0000000 0.5000000), wk = 0.0032680 k( 170) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0032680 k( 171) = ( 0.2888889 -0.0000000 0.5000000), wk = 0.0032680 k( 172) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0032680 k( 173) = ( 0.3111111 -0.0000000 0.5000000), wk = 0.0032680 k( 174) = ( 0.3222222 0.0000000 0.5000000), wk = 0.0032680 k( 175) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0032680 k( 176) = ( 0.3444444 0.0000000 0.5000000), wk = 0.0032680 k( 177) = ( 0.3555556 0.0000000 0.5000000), wk = 0.0032680 k( 178) = ( 0.3666667 0.0000000 0.5000000), wk = 0.0032680 k( 179) = ( 0.3777778 0.0000000 0.5000000), wk = 0.0032680 k( 180) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0032680 k( 181) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0032680 k( 182) = ( 0.4111111 0.0000000 0.5000000), wk = 0.0032680 k( 183) = ( 0.4222222 0.0000000 0.5000000), wk = 0.0032680 k( 184) = ( 0.4333333 0.0000000 0.5000000), wk = 0.0032680 k( 185) = ( 0.4444444 0.0000000 0.5000000), wk = 0.0032680 k( 186) = ( 0.4555556 0.0000000 0.5000000), wk = 0.0032680 k( 187) = ( 0.4666667 -0.0000000 0.5000000), wk = 0.0032680 k( 188) = ( 0.4777778 0.0000000 0.5000000), wk = 0.0032680 k( 189) = ( 0.4888889 0.0000000 0.5000000), wk = 0.0032680 k( 190) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032680 k( 191) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032680 k( 192) = ( 0.4935897 0.0128205 0.5000000), wk = 0.0032680 k( 193) = ( 0.4871795 0.0256410 0.5000000), wk = 0.0032680 k( 194) = ( 0.4807692 0.0384615 0.5000000), wk = 0.0032680 k( 195) = ( 0.4743590 0.0512820 0.5000000), wk = 0.0032680 k( 196) = ( 0.4679487 0.0641026 0.5000000), wk = 0.0032680 k( 197) = ( 0.4615385 0.0769231 0.5000000), wk = 0.0032680 k( 198) = ( 0.4551282 0.0897436 0.5000000), wk = 0.0032680 k( 199) = ( 0.4487179 0.1025641 0.5000000), wk = 0.0032680 k( 200) = ( 0.4423077 0.1153846 0.5000000), wk = 0.0032680 k( 201) = ( 0.4358974 0.1282051 0.5000000), wk = 0.0032680 k( 202) = ( 0.4294872 0.1410256 0.5000000), wk = 0.0032680 k( 203) = ( 0.4230769 0.1538461 0.5000000), wk = 0.0032680 k( 204) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0032680 k( 205) = ( 0.4102564 0.1794872 0.5000000), wk = 0.0032680 k( 206) = ( 0.4038462 0.1923077 0.5000000), wk = 0.0032680 k( 207) = ( 0.3974359 0.2051282 0.5000000), wk = 0.0032680 k( 208) = ( 0.3910256 0.2179487 0.5000000), wk = 0.0032680 k( 209) = ( 0.3846154 0.2307692 0.5000000), wk = 0.0032680 k( 210) = ( 0.3782051 0.2435897 0.5000000), wk = 0.0032680 k( 211) = ( 0.3717949 0.2564103 0.5000000), wk = 0.0032680 k( 212) = ( 0.3653846 0.2692308 0.5000000), wk = 0.0032680 k( 213) = ( 0.3589744 0.2820513 0.5000000), wk = 0.0032680 k( 214) = ( 0.3525641 0.2948718 0.5000000), wk = 0.0032680 k( 215) = ( 0.3461538 0.3076923 0.5000000), wk = 0.0032680 k( 216) = ( 0.3397436 0.3205128 0.5000000), wk = 0.0032680 k( 217) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032680 k( 218) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032680 k( 219) = ( 0.3269231 0.3269231 0.5000000), wk = 0.0032680 k( 220) = ( 0.3205128 0.3205128 0.5000000), wk = 0.0032680 k( 221) = ( 0.3141026 0.3141026 0.5000000), wk = 0.0032680 k( 222) = ( 0.3076923 0.3076923 0.5000000), wk = 0.0032680 k( 223) = ( 0.3012821 0.3012821 0.5000000), wk = 0.0032680 k( 224) = ( 0.2948718 0.2948718 0.5000000), wk = 0.0032680 k( 225) = ( 0.2884615 0.2884615 0.5000000), wk = 0.0032680 k( 226) = ( 0.2820513 0.2820513 0.5000000), wk = 0.0032680 k( 227) = ( 0.2756410 0.2756410 0.5000000), wk = 0.0032680 k( 228) = ( 0.2692308 0.2692308 0.5000000), wk = 0.0032680 k( 229) = ( 0.2628205 0.2628205 0.5000000), wk = 0.0032680 k( 230) = ( 0.2564103 0.2564103 0.5000000), wk = 0.0032680 k( 231) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0032680 k( 232) = ( 0.2435897 0.2435897 0.5000000), wk = 0.0032680 k( 233) = ( 0.2371795 0.2371795 0.5000000), wk = 0.0032680 k( 234) = ( 0.2307692 0.2307692 0.5000000), wk = 0.0032680 k( 235) = ( 0.2243590 0.2243590 0.5000000), wk = 0.0032680 k( 236) = ( 0.2179487 0.2179487 0.5000000), wk = 0.0032680 k( 237) = ( 0.2115385 0.2115385 0.5000000), wk = 0.0032680 k( 238) = ( 0.2051282 0.2051282 0.5000000), wk = 0.0032680 k( 239) = ( 0.1987180 0.1987180 0.5000000), wk = 0.0032680 k( 240) = ( 0.1923077 0.1923077 0.5000000), wk = 0.0032680 k( 241) = ( 0.1858974 0.1858974 0.5000000), wk = 0.0032680 k( 242) = ( 0.1794872 0.1794872 0.5000000), wk = 0.0032680 k( 243) = ( 0.1730769 0.1730769 0.5000000), wk = 0.0032680 k( 244) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0032680 k( 245) = ( 0.1602564 0.1602564 0.5000000), wk = 0.0032680 k( 246) = ( 0.1538461 0.1538461 0.5000000), wk = 0.0032680 k( 247) = ( 0.1474359 0.1474359 0.5000000), wk = 0.0032680 k( 248) = ( 0.1410256 0.1410256 0.5000000), wk = 0.0032680 k( 249) = ( 0.1346154 0.1346154 0.5000000), wk = 0.0032680 k( 250) = ( 0.1282051 0.1282051 0.5000000), wk = 0.0032680 k( 251) = ( 0.1217949 0.1217949 0.5000000), wk = 0.0032680 k( 252) = ( 0.1153846 0.1153846 0.5000000), wk = 0.0032680 k( 253) = ( 0.1089744 0.1089744 0.5000000), wk = 0.0032680 k( 254) = ( 0.1025641 0.1025641 0.5000000), wk = 0.0032680 k( 255) = ( 0.0961538 0.0961538 0.5000000), wk = 0.0032680 k( 256) = ( 0.0897436 0.0897436 0.5000000), wk = 0.0032680 k( 257) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0032680 k( 258) = ( 0.0769231 0.0769231 0.5000000), wk = 0.0032680 k( 259) = ( 0.0705128 0.0705128 0.5000000), wk = 0.0032680 k( 260) = ( 0.0641026 0.0641026 0.5000000), wk = 0.0032680 k( 261) = ( 0.0576923 0.0576923 0.5000000), wk = 0.0032680 k( 262) = ( 0.0512821 0.0512821 0.5000000), wk = 0.0032680 k( 263) = ( 0.0448718 0.0448718 0.5000000), wk = 0.0032680 k( 264) = ( 0.0384615 0.0384615 0.5000000), wk = 0.0032680 k( 265) = ( 0.0320513 0.0320513 0.5000000), wk = 0.0032680 k( 266) = ( 0.0256410 0.0256410 0.5000000), wk = 0.0032680 k( 267) = ( 0.0192308 0.0192308 0.5000000), wk = 0.0032680 k( 268) = ( 0.0128205 0.0128205 0.5000000), wk = 0.0032680 k( 269) = ( 0.0064103 0.0064103 0.5000000), wk = 0.0032680 k( 270) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032680 k( 271) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032680 k( 272) = ( 0.5000000 0.0000000 0.4705882), wk = 0.0032680 k( 273) = ( 0.5000000 0.0000000 0.4411765), wk = 0.0032680 k( 274) = ( 0.5000000 0.0000000 0.4117647), wk = 0.0032680 k( 275) = ( 0.5000000 0.0000000 0.3823529), wk = 0.0032680 k( 276) = ( 0.5000000 0.0000000 0.3529412), wk = 0.0032680 k( 277) = ( 0.5000000 0.0000000 0.3235294), wk = 0.0032680 k( 278) = ( 0.5000000 0.0000000 0.2941176), wk = 0.0032680 k( 279) = ( 0.5000000 0.0000000 0.2647059), wk = 0.0032680 k( 280) = ( 0.5000000 0.0000000 0.2352941), wk = 0.0032680 k( 281) = ( 0.5000000 0.0000000 0.2058823), wk = 0.0032680 k( 282) = ( 0.5000000 0.0000000 0.1764706), wk = 0.0032680 k( 283) = ( 0.5000000 0.0000000 0.1470588), wk = 0.0032680 k( 284) = ( 0.5000000 0.0000000 0.1176471), wk = 0.0032680 k( 285) = ( 0.5000000 0.0000000 0.0882353), wk = 0.0032680 k( 286) = ( 0.5000000 0.0000000 0.0588235), wk = 0.0032680 k( 287) = ( 0.5000000 0.0000000 0.0294118), wk = 0.0032680 k( 288) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032680 k( 289) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032680 k( 290) = ( 0.3333333 0.3333333 0.0294118), wk = 0.0032680 k( 291) = ( 0.3333333 0.3333333 0.0588235), wk = 0.0032680 k( 292) = ( 0.3333333 0.3333333 0.0882353), wk = 0.0032680 k( 293) = ( 0.3333333 0.3333333 0.1176471), wk = 0.0032680 k( 294) = ( 0.3333333 0.3333333 0.1470588), wk = 0.0032680 k( 295) = ( 0.3333333 0.3333333 0.1764706), wk = 0.0032680 k( 296) = ( 0.3333333 0.3333333 0.2058823), wk = 0.0032680 k( 297) = ( 0.3333333 0.3333333 0.2352941), wk = 0.0032680 k( 298) = ( 0.3333333 0.3333333 0.2647059), wk = 0.0032680 k( 299) = ( 0.3333333 0.3333333 0.2941177), wk = 0.0032680 k( 300) = ( 0.3333333 0.3333333 0.3235294), wk = 0.0032680 k( 301) = ( 0.3333333 0.3333333 0.3529412), wk = 0.0032680 k( 302) = ( 0.3333333 0.3333333 0.3823529), wk = 0.0032680 k( 303) = ( 0.3333333 0.3333333 0.4117647), wk = 0.0032680 k( 304) = ( 0.3333333 0.3333333 0.4411765), wk = 0.0032680 k( 305) = ( 0.3333333 0.3333333 0.4705882), wk = 0.0032680 k( 306) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032680 Dense grid: 69231 G-vectors FFT dimensions: ( 45, 45, 96) Smooth grid: 36447 G-vectors FFT dimensions: ( 36, 36, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.30 Mb ( 304, 64) NL pseudopotentials 0.47 Mb ( 152, 204) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.02 Mb ( 2169) G-vector shells 0.01 Mb ( 1007) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.19 Mb ( 304, 256) Each subspace H/S matrix 1.00 Mb ( 256, 256) Each matrix 0.40 Mb ( 204, 2, 64) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./ZnTe.save/charge-density.dat Starting wfc are 78 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.6 secs Computing kpt #: 2 total cpu time spent up to now is 6.6 secs Computing kpt #: 3 total cpu time spent up to now is 8.2 secs Computing kpt #: 4 total cpu time spent up to now is 10.1 secs Computing kpt #: 5 total cpu time spent up to now is 11.6 secs Computing kpt #: 6 total cpu time spent up to now is 13.2 secs Computing kpt #: 7 total cpu time spent up to now is 14.8 secs Computing kpt #: 8 total cpu time spent up to now is 16.3 secs Computing kpt #: 9 total cpu time spent up to now is 17.8 secs Computing kpt #: 10 total cpu time spent up to now is 19.3 secs Computing kpt #: 11 total cpu time spent up to now is 20.8 secs Computing kpt #: 12 total cpu time spent up to now is 22.4 secs Computing kpt #: 13 total cpu time spent up to now is 23.9 secs Computing kpt #: 14 total cpu time spent up to now is 25.5 secs Computing kpt #: 15 total cpu time spent up to now is 27.1 secs Computing kpt #: 16 total cpu time spent up to now is 28.8 secs Computing kpt #: 17 total cpu time spent up to now is 30.5 secs Computing kpt #: 18 total cpu time spent up to now is 32.1 secs Computing kpt #: 19 total cpu time spent up to now is 33.6 secs Computing kpt #: 20 total cpu time spent up to now is 35.3 secs Computing kpt #: 21 total cpu time spent up to now is 36.8 secs Computing kpt #: 22 total cpu time spent up to now is 38.4 secs Computing kpt #: 23 total cpu time spent up to now is 40.0 secs Computing kpt #: 24 total cpu time spent up to now is 41.6 secs Computing kpt #: 25 total cpu time spent up to now is 43.1 secs Computing kpt #: 26 total cpu time spent up to now is 44.7 secs Computing kpt #: 27 total cpu time spent up to now is 46.3 secs Computing kpt #: 28 total cpu time spent up to now is 47.8 secs Computing kpt #: 29 total cpu time spent up to now is 49.3 secs Computing kpt #: 30 total cpu time spent up to now is 50.8 secs Computing kpt #: 31 total cpu time spent up to now is 52.2 secs Computing kpt #: 32 total cpu time spent up to now is 53.7 secs Computing kpt #: 33 total cpu time spent up to now is 55.2 secs Computing kpt #: 34 total cpu time spent up to now is 56.7 secs Computing kpt #: 35 total cpu time spent up to now is 58.1 secs Computing kpt #: 36 total cpu time spent up to now is 59.6 secs Computing kpt #: 37 total cpu time spent up to now is 61.1 secs Computing kpt #: 38 total cpu time spent up to now is 62.5 secs Computing kpt #: 39 total cpu time spent up to now is 64.0 secs Computing kpt #: 40 total cpu time spent up to now is 65.4 secs Computing kpt #: 41 total cpu time spent up to now is 66.8 secs Computing kpt #: 42 total cpu time spent up to now is 68.3 secs Computing kpt #: 43 total cpu time spent up to now is 69.7 secs Computing kpt #: 44 total cpu time spent up to now is 71.2 secs Computing kpt #: 45 total cpu time spent up to now is 72.7 secs Computing kpt #: 46 total cpu time spent up to now is 74.1 secs Computing kpt #: 47 total cpu time spent up to now is 75.5 secs Computing kpt #: 48 total cpu time spent up to now is 76.9 secs Computing kpt #: 49 total cpu time spent up to now is 78.4 secs Computing kpt #: 50 total cpu time spent up to now is 79.8 secs Computing kpt #: 51 total cpu time spent up to now is 81.3 secs Computing kpt #: 52 total cpu time spent up to now is 82.8 secs Computing kpt #: 53 total cpu time spent up to now is 84.2 secs Computing kpt #: 54 total cpu time spent up to now is 85.7 secs Computing kpt #: 55 total cpu time spent up to now is 87.2 secs Computing kpt #: 56 total cpu time spent up to now is 88.7 secs Computing kpt #: 57 total cpu time spent up to now is 90.2 secs Computing kpt #: 58 total cpu time spent up to now is 91.6 secs Computing kpt #: 59 total cpu time spent up to now is 93.0 secs Computing kpt #: 60 total cpu time spent up to now is 94.5 secs Computing kpt #: 61 total cpu time spent up to now is 95.9 secs Computing kpt #: 62 total cpu time spent up to now is 97.4 secs Computing kpt #: 63 total cpu time spent up to now is 98.8 secs Computing kpt #: 64 total cpu time spent up to now is 100.3 secs Computing kpt #: 65 total cpu time spent up to now is 101.8 secs Computing kpt #: 66 total cpu time spent up to now is 103.4 secs Computing kpt #: 67 total cpu time spent up to now is 104.9 secs Computing kpt #: 68 total cpu time spent up to now is 106.8 secs Computing kpt #: 69 total cpu time spent up to now is 108.7 secs Computing kpt #: 70 total cpu time spent up to now is 110.6 secs Computing kpt #: 71 total cpu time spent up to now is 112.4 secs Computing kpt #: 72 total cpu time spent up to now is 114.5 secs Computing kpt #: 73 total cpu time spent up to now is 117.0 secs Computing kpt #: 74 total cpu time spent up to now is 119.0 secs Computing kpt #: 75 total cpu time spent up to now is 121.3 secs Computing kpt #: 76 total cpu time spent up to now is 123.5 secs Computing kpt #: 77 total cpu time spent up to now is 125.3 secs Computing kpt #: 78 total cpu time spent up to now is 127.2 secs Computing kpt #: 79 total cpu time spent up to now is 129.1 secs Computing kpt #: 80 total cpu time spent up to now is 130.8 secs Computing kpt #: 81 total cpu time spent up to now is 132.4 secs Computing kpt #: 82 total cpu time spent up to now is 134.1 secs Computing kpt #: 83 total cpu time spent up to now is 135.7 secs Computing kpt #: 84 total cpu time spent up to now is 137.3 secs Computing kpt #: 85 total cpu time spent up to now is 138.9 secs Computing kpt #: 86 total cpu time spent up to now is 140.5 secs Computing kpt #: 87 total cpu time spent up to now is 142.1 secs Computing kpt #: 88 total cpu time spent up to now is 143.6 secs Computing kpt #: 89 total cpu time spent up to now is 145.2 secs Computing kpt #: 90 total cpu time spent up to now is 146.7 secs Computing kpt #: 91 total cpu time spent up to now is 148.3 secs Computing kpt #: 92 total cpu time spent up to now is 149.8 secs Computing kpt #: 93 total cpu time spent up to now is 151.4 secs Computing kpt #: 94 total cpu time spent up to now is 152.9 secs Computing kpt #: 95 total cpu time spent up to now is 154.5 secs Computing kpt #: 96 total cpu time spent up to now is 156.1 secs Computing kpt #: 97 total cpu time spent up to now is 157.6 secs Computing kpt #: 98 total cpu time spent up to now is 159.2 secs Computing kpt #: 99 total cpu time spent up to now is 160.8 secs Computing kpt #: 100 total cpu time spent up to now is 162.3 secs Computing kpt #: 101 total cpu time spent up to now is 163.9 secs Computing kpt #: 102 total cpu time spent up to now is 165.4 secs Computing kpt #: 103 total cpu time spent up to now is 166.9 secs Computing kpt #: 104 total cpu time spent up to now is 168.5 secs Computing kpt #: 105 total cpu time spent up to now is 170.0 secs Computing kpt #: 106 total cpu time spent up to now is 171.5 secs Computing kpt #: 107 total cpu time spent up to now is 173.1 secs Computing kpt #: 108 total cpu time spent up to now is 174.6 secs Computing kpt #: 109 total cpu time spent up to now is 176.1 secs Computing kpt #: 110 total cpu time spent up to now is 177.6 secs Computing kpt #: 111 total cpu time spent up to now is 179.2 secs Computing kpt #: 112 total cpu time spent up to now is 180.7 secs Computing kpt #: 113 total cpu time spent up to now is 182.3 secs Computing kpt #: 114 total cpu time spent up to now is 183.8 secs Computing kpt #: 115 total cpu time spent up to now is 185.3 secs Computing kpt #: 116 total cpu time spent up to now is 186.8 secs Computing kpt #: 117 total cpu time spent up to now is 188.2 secs Computing kpt #: 118 total cpu time spent up to now is 189.7 secs Computing kpt #: 119 total cpu time spent up to now is 191.2 secs Computing kpt #: 120 total cpu time spent up to now is 192.7 secs Computing kpt #: 121 total cpu time spent up to now is 194.2 secs Computing kpt #: 122 total cpu time spent up to now is 195.9 secs Computing kpt #: 123 total cpu time spent up to now is 197.8 secs Computing kpt #: 124 total cpu time spent up to now is 199.6 secs Computing kpt #: 125 total cpu time spent up to now is 201.6 secs Computing kpt #: 126 total cpu time spent up to now is 203.2 secs Computing kpt #: 127 total cpu time spent up to now is 204.7 secs Computing kpt #: 128 total cpu time spent up to now is 206.4 secs Computing kpt #: 129 total cpu time spent up to now is 208.3 secs Computing kpt #: 130 total cpu time spent up to now is 210.0 secs Computing kpt #: 131 total cpu time spent up to now is 211.5 secs Computing kpt #: 132 total cpu time spent up to now is 213.1 secs Computing kpt #: 133 total cpu time spent up to now is 214.6 secs Computing kpt #: 134 total cpu time spent up to now is 216.2 secs Computing kpt #: 135 total cpu time spent up to now is 217.8 secs Computing kpt #: 136 total cpu time spent up to now is 219.3 secs Computing kpt #: 137 total cpu time spent up to now is 220.8 secs Computing kpt #: 138 total cpu time spent up to now is 222.7 secs Computing kpt #: 139 total cpu time spent up to now is 224.6 secs Computing kpt #: 140 total cpu time spent up to now is 227.3 secs Computing kpt #: 141 total cpu time spent up to now is 229.9 secs Computing kpt #: 142 total cpu time spent up to now is 231.5 secs Computing kpt #: 143 total cpu time spent up to now is 233.1 secs Computing kpt #: 144 total cpu time spent up to now is 234.5 secs Computing kpt #: 145 total cpu time spent up to now is 236.0 secs Computing kpt #: 146 total cpu time spent up to now is 237.5 secs Computing kpt #: 147 total cpu time spent up to now is 239.4 secs Computing kpt #: 148 total cpu time spent up to now is 241.0 secs Computing kpt #: 149 total cpu time spent up to now is 242.5 secs Computing kpt #: 150 total cpu time spent up to now is 244.5 secs Computing kpt #: 151 total cpu time spent up to now is 246.1 secs Computing kpt #: 152 total cpu time spent up to now is 248.0 secs Computing kpt #: 153 total cpu time spent up to now is 249.6 secs Computing kpt #: 154 total cpu time spent up to now is 251.2 secs Computing kpt #: 155 total cpu time spent up to now is 252.7 secs Computing kpt #: 156 total cpu time spent up to now is 254.3 secs Computing kpt #: 157 total cpu time spent up to now is 255.8 secs Computing kpt #: 158 total cpu time spent up to now is 257.4 secs Computing kpt #: 159 total cpu time spent up to now is 258.9 secs Computing kpt #: 160 total cpu time spent up to now is 260.5 secs Computing kpt #: 161 total cpu time spent up to now is 262.1 secs Computing kpt #: 162 total cpu time spent up to now is 263.6 secs Computing kpt #: 163 total cpu time spent up to now is 265.1 secs Computing kpt #: 164 total cpu time spent up to now is 267.9 secs Computing kpt #: 165 total cpu time spent up to now is 270.3 secs Computing kpt #: 166 total cpu time spent up to now is 271.8 secs Computing kpt #: 167 total cpu time spent up to now is 273.3 secs Computing kpt #: 168 total cpu time spent up to now is 274.8 secs Computing kpt #: 169 total cpu time spent up to now is 276.3 secs Computing kpt #: 170 total cpu time spent up to now is 277.8 secs Computing kpt #: 171 total cpu time spent up to now is 279.3 secs Computing kpt #: 172 total cpu time spent up to now is 280.8 secs Computing kpt #: 173 total cpu time spent up to now is 282.3 secs Computing kpt #: 174 total cpu time spent up to now is 283.8 secs Computing kpt #: 175 total cpu time spent up to now is 285.2 secs Computing kpt #: 176 total cpu time spent up to now is 286.7 secs Computing kpt #: 177 total cpu time spent up to now is 288.2 secs Computing kpt #: 178 total cpu time spent up to now is 289.6 secs Computing kpt #: 179 total cpu time spent up to now is 291.1 secs Computing kpt #: 180 total cpu time spent up to now is 292.5 secs Computing kpt #: 181 total cpu time spent up to now is 294.0 secs Computing kpt #: 182 total cpu time spent up to now is 295.4 secs Computing kpt #: 183 total cpu time spent up to now is 296.9 secs Computing kpt #: 184 total cpu time spent up to now is 298.3 secs Computing kpt #: 185 total cpu time spent up to now is 299.8 secs Computing kpt #: 186 total cpu time spent up to now is 301.2 secs Computing kpt #: 187 total cpu time spent up to now is 302.7 secs Computing kpt #: 188 total cpu time spent up to now is 304.1 secs Computing kpt #: 189 total cpu time spent up to now is 305.6 secs Computing kpt #: 190 total cpu time spent up to now is 307.0 secs Computing kpt #: 191 total cpu time spent up to now is 308.5 secs Computing kpt #: 192 total cpu time spent up to now is 309.9 secs Computing kpt #: 193 total cpu time spent up to now is 311.4 secs Computing kpt #: 194 total cpu time spent up to now is 312.8 secs Computing kpt #: 195 total cpu time spent up to now is 314.3 secs Computing kpt #: 196 total cpu time spent up to now is 315.8 secs Computing kpt #: 197 total cpu time spent up to now is 317.3 secs Computing kpt #: 198 total cpu time spent up to now is 318.8 secs Computing kpt #: 199 total cpu time spent up to now is 320.3 secs Computing kpt #: 200 total cpu time spent up to now is 321.7 secs Computing kpt #: 201 total cpu time spent up to now is 323.2 secs Computing kpt #: 202 total cpu time spent up to now is 324.7 secs Computing kpt #: 203 total cpu time spent up to now is 326.2 secs Computing kpt #: 204 total cpu time spent up to now is 327.7 secs Computing kpt #: 205 total cpu time spent up to now is 329.2 secs Computing kpt #: 206 total cpu time spent up to now is 330.7 secs Computing kpt #: 207 total cpu time spent up to now is 332.3 secs Computing kpt #: 208 total cpu time spent up to now is 333.8 secs Computing kpt #: 209 total cpu time spent up to now is 335.3 secs Computing kpt #: 210 total cpu time spent up to now is 336.9 secs Computing kpt #: 211 total cpu time spent up to now is 338.5 secs Computing kpt #: 212 total cpu time spent up to now is 340.0 secs Computing kpt #: 213 total cpu time spent up to now is 341.6 secs Computing kpt #: 214 total cpu time spent up to now is 343.2 secs Computing kpt #: 215 total cpu time spent up to now is 344.7 secs Computing kpt #: 216 total cpu time spent up to now is 346.3 secs Computing kpt #: 217 total cpu time spent up to now is 347.9 secs Computing kpt #: 218 total cpu time spent up to now is 349.4 secs Computing kpt #: 219 total cpu time spent up to now is 351.0 secs Computing kpt #: 220 total cpu time spent up to now is 352.6 secs Computing kpt #: 221 total cpu time spent up to now is 354.1 secs Computing kpt #: 222 total cpu time spent up to now is 355.6 secs Computing kpt #: 223 total cpu time spent up to now is 357.1 secs Computing kpt #: 224 total cpu time spent up to now is 358.6 secs Computing kpt #: 225 total cpu time spent up to now is 360.1 secs Computing kpt #: 226 total cpu time spent up to now is 361.6 secs Computing kpt #: 227 total cpu time spent up to now is 363.1 secs Computing kpt #: 228 total cpu time spent up to now is 364.5 secs Computing kpt #: 229 total cpu time spent up to now is 366.0 secs Computing kpt #: 230 total cpu time spent up to now is 367.5 secs Computing kpt #: 231 total cpu time spent up to now is 369.0 secs Computing kpt #: 232 total cpu time spent up to now is 370.5 secs Computing kpt #: 233 total cpu time spent up to now is 371.9 secs Computing kpt #: 234 total cpu time spent up to now is 373.4 secs Computing kpt #: 235 total cpu time spent up to now is 374.9 secs Computing kpt #: 236 total cpu time spent up to now is 376.4 secs Computing kpt #: 237 total cpu time spent up to now is 377.9 secs Computing kpt #: 238 total cpu time spent up to now is 379.4 secs Computing kpt #: 239 total cpu time spent up to now is 380.9 secs Computing kpt #: 240 total cpu time spent up to now is 382.4 secs Computing kpt #: 241 total cpu time spent up to now is 383.8 secs Computing kpt #: 242 total cpu time spent up to now is 385.3 secs Computing kpt #: 243 total cpu time spent up to now is 386.8 secs Computing kpt #: 244 total cpu time spent up to now is 388.3 secs Computing kpt #: 245 total cpu time spent up to now is 389.8 secs Computing kpt #: 246 total cpu time spent up to now is 391.4 secs Computing kpt #: 247 total cpu time spent up to now is 392.9 secs Computing kpt #: 248 total cpu time spent up to now is 394.3 secs Computing kpt #: 249 total cpu time spent up to now is 395.9 secs Computing kpt #: 250 total cpu time spent up to now is 397.3 secs Computing kpt #: 251 total cpu time spent up to now is 398.8 secs Computing kpt #: 252 total cpu time spent up to now is 400.3 secs Computing kpt #: 253 total cpu time spent up to now is 401.8 secs Computing kpt #: 254 total cpu time spent up to now is 403.3 secs Computing kpt #: 255 total cpu time spent up to now is 404.7 secs Computing kpt #: 256 total cpu time spent up to now is 406.3 secs Computing kpt #: 257 total cpu time spent up to now is 407.9 secs Computing kpt #: 258 total cpu time spent up to now is 409.4 secs Computing kpt #: 259 total cpu time spent up to now is 410.9 secs Computing kpt #: 260 total cpu time spent up to now is 412.4 secs Computing kpt #: 261 total cpu time spent up to now is 413.9 secs Computing kpt #: 262 total cpu time spent up to now is 415.4 secs Computing kpt #: 263 total cpu time spent up to now is 417.2 secs Computing kpt #: 264 total cpu time spent up to now is 419.1 secs Computing kpt #: 265 total cpu time spent up to now is 420.7 secs Computing kpt #: 266 total cpu time spent up to now is 422.3 secs Computing kpt #: 267 total cpu time spent up to now is 424.0 secs Computing kpt #: 268 total cpu time spent up to now is 425.5 secs Computing kpt #: 269 total cpu time spent up to now is 426.9 secs Computing kpt #: 270 total cpu time spent up to now is 428.4 secs Computing kpt #: 271 total cpu time spent up to now is 429.8 secs Computing kpt #: 272 total cpu time spent up to now is 431.3 secs Computing kpt #: 273 total cpu time spent up to now is 432.7 secs Computing kpt #: 274 total cpu time spent up to now is 434.2 secs Computing kpt #: 275 total cpu time spent up to now is 435.7 secs Computing kpt #: 276 total cpu time spent up to now is 437.1 secs Computing kpt #: 277 total cpu time spent up to now is 438.6 secs Computing kpt #: 278 total cpu time spent up to now is 440.1 secs Computing kpt #: 279 total cpu time spent up to now is 441.6 secs Computing kpt #: 280 total cpu time spent up to now is 443.1 secs Computing kpt #: 281 total cpu time spent up to now is 444.5 secs Computing kpt #: 282 total cpu time spent up to now is 446.0 secs Computing kpt #: 283 total cpu time spent up to now is 447.5 secs Computing kpt #: 284 total cpu time spent up to now is 449.0 secs Computing kpt #: 285 total cpu time spent up to now is 450.4 secs Computing kpt #: 286 total cpu time spent up to now is 451.9 secs Computing kpt #: 287 total cpu time spent up to now is 453.3 secs Computing kpt #: 288 total cpu time spent up to now is 454.7 secs Computing kpt #: 289 total cpu time spent up to now is 456.8 secs Computing kpt #: 290 total cpu time spent up to now is 458.7 secs Computing kpt #: 291 total cpu time spent up to now is 460.7 secs Computing kpt #: 292 total cpu time spent up to now is 462.5 secs Computing kpt #: 293 total cpu time spent up to now is 464.4 secs Computing kpt #: 294 total cpu time spent up to now is 466.1 secs Computing kpt #: 295 total cpu time spent up to now is 467.8 secs Computing kpt #: 296 total cpu time spent up to now is 469.4 secs Computing kpt #: 297 total cpu time spent up to now is 471.1 secs Computing kpt #: 298 total cpu time spent up to now is 472.6 secs Computing kpt #: 299 total cpu time spent up to now is 474.2 secs Computing kpt #: 300 total cpu time spent up to now is 475.7 secs Computing kpt #: 301 total cpu time spent up to now is 477.2 secs Computing kpt #: 302 total cpu time spent up to now is 478.7 secs Computing kpt #: 303 total cpu time spent up to now is 480.3 secs Computing kpt #: 304 total cpu time spent up to now is 481.9 secs Computing kpt #: 305 total cpu time spent up to now is 483.5 secs Computing kpt #: 306 total cpu time spent up to now is 485.1 secs ethr = 1.85E-11, avg # of iterations = 29.7 total cpu time spent up to now is 485.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4555 PWs) bands (ev): -4.7573 -4.7573 -3.5023 -3.5023 -3.5022 -3.5022 0.6440 0.6440 0.6747 0.6747 0.7484 0.7484 0.9221 0.9221 0.9585 0.9585 0.9716 0.9716 1.0023 1.0023 1.0544 1.0544 1.2040 1.2040 1.2637 1.2637 1.2711 1.2711 1.2809 1.2809 1.3775 1.3775 1.3796 1.3796 1.4038 1.4038 3.4639 3.4639 3.4723 3.4723 7.1281 7.1281 7.5935 7.5935 7.6854 7.6854 8.3350 8.3350 8.4708 8.4708 8.7321 8.7321 8.8392 8.8392 10.5726 10.5726 11.0976 11.0976 11.1039 11.1039 12.7461 12.7461 12.8250 12.8250 k = 0.0111 0.0064-0.0000 ( 4549 PWs) bands (ev): -4.7563 -4.7561 -3.5016 -3.5016 -3.5015 -3.5014 0.6432 0.6449 0.6748 0.6748 0.7483 0.7486 0.9221 0.9223 0.9584 0.9585 0.9694 0.9739 1.0017 1.0029 1.0545 1.0545 1.2034 1.2044 1.2631 1.2643 1.2712 1.2712 1.2802 1.2818 1.3758 1.3787 1.3797 1.3802 1.4028 1.4050 3.4623 3.4661 3.4731 3.4733 7.1166 7.1277 7.5862 7.5871 7.6657 7.6909 8.3046 8.3518 8.4530 8.4738 8.7227 8.7254 8.8099 8.8702 10.5791 10.5889 11.1027 11.1076 11.1141 11.1170 12.7179 12.7435 12.7988 12.8248 k = 0.0222 0.0128-0.0000 ( 4549 PWs) bands (ev): -4.7531 -4.7528 -3.4995 -3.4995 -3.4993 -3.4991 0.6425 0.6459 0.6751 0.6752 0.7483 0.7489 0.9220 0.9225 0.9582 0.9583 0.9675 0.9763 1.0010 1.0035 1.0548 1.0549 1.2025 1.2046 1.2624 1.2647 1.2713 1.2715 1.2797 1.2830 1.3740 1.3788 1.3800 1.3819 1.4019 1.4062 3.4615 3.4686 3.4752 3.4767 7.0934 7.1154 7.5622 7.5692 7.6325 7.6830 8.2626 8.3514 8.4225 8.4631 8.6914 8.7083 8.7896 8.8965 10.6080 10.6265 11.1213 11.1353 11.1434 11.1549 12.6703 12.7075 12.7608 12.8054 k = 0.0333 0.0192-0.0000 ( 4557 PWs) bands (ev): -4.7477 -4.7473 -3.4960 -3.4959 -3.4956 -3.4954 0.6419 0.6470 0.6755 0.6757 0.7485 0.7492 0.9221 0.9227 0.9576 0.9581 0.9660 0.9788 1.0004 1.0041 1.0552 1.0555 1.2014 1.2046 1.2618 1.2649 1.2714 1.2720 1.2796 1.2844 1.3723 1.3786 1.3803 1.3839 1.4011 1.4074 3.4615 3.4716 3.4782 3.4824 7.0582 7.0911 7.5183 7.5411 7.5883 7.6633 8.2109 8.3268 8.3847 8.4432 8.6444 8.6830 8.7746 8.9161 10.6575 10.6826 11.1529 11.1747 11.1957 11.2143 12.6045 12.6475 12.7190 12.7769 k = 0.0444 0.0257-0.0000 ( 4557 PWs) bands (ev): -4.7402 -4.7397 -3.4910 -3.4909 -3.4905 -3.4902 0.6415 0.6480 0.6762 0.6765 0.7488 0.7497 0.9221 0.9230 0.9567 0.9580 0.9649 0.9814 0.9998 1.0048 1.0557 1.0565 1.2001 1.2043 1.2612 1.2650 1.2714 1.2727 1.2798 1.2859 1.3707 1.3785 1.3807 1.3857 1.4005 1.4087 3.4622 3.4756 3.4822 3.4901 7.0108 7.0545 7.4544 7.5017 7.5368 7.6333 8.1518 8.2764 8.3408 8.4185 8.5908 8.6504 8.7592 8.9295 10.7239 10.7535 11.1959 11.2237 11.2686 11.2927 12.5240 12.5708 12.6790 12.7435 k = 0.0556 0.0321-0.0000 ( 4559 PWs) bands (ev): -4.7306 -4.7299 -3.4847 -3.4845 -3.4839 -3.4836 0.6412 0.6492 0.6769 0.6777 0.7492 0.7502 0.9223 0.9233 0.9555 0.9578 0.9642 0.9840 0.9992 1.0055 1.0563 1.0578 1.1986 1.2039 1.2607 1.2649 1.2715 1.2737 1.2803 1.2876 1.3692 1.3784 1.3812 1.3874 1.4004 1.4100 3.4632 3.4806 3.4872 3.4995 6.9509 7.0055 7.3735 7.4459 7.4845 7.5935 8.0872 8.2088 8.2864 8.3890 8.5346 8.6121 8.7422 8.9378 10.8027 10.8346 11.2479 11.2805 11.3587 11.3872 12.4355 12.4860 12.6408 12.7071 k = 0.0667 0.0385-0.0000 ( 4549 PWs) bands (ev): -4.7188 -4.7180 -3.4770 -3.4768 -3.4758 -3.4754 0.6411 0.6503 0.6779 0.6791 0.7497 0.7509 0.9224 0.9236 0.9541 0.9576 0.9638 0.9865 0.9987 1.0062 1.0570 1.0595 1.1969 1.2034 1.2603 1.2647 1.2716 1.2748 1.2812 1.2895 1.3680 1.3784 1.3818 1.3888 1.4008 1.4114 3.4646 3.4865 3.4933 3.5105 6.8783 6.9440 7.2802 7.3727 7.4339 7.5441 8.0181 8.1310 8.2232 8.3510 8.4769 8.5702 8.7246 8.9420 10.8885 10.9210 11.3063 11.3430 11.4629 11.4946 12.3454 12.3999 12.6046 12.6697 k = 0.0778 0.0449-0.0000 ( 4542 PWs) bands (ev): -4.7049 -4.7039 -3.4681 -3.4677 -3.4664 -3.4659 0.6412 0.6514 0.6791 0.6809 0.7502 0.7518 0.9226 0.9240 0.9527 0.9575 0.9636 0.9890 0.9982 1.0071 1.0577 1.0615 1.1950 1.2027 1.2599 1.2644 1.2718 1.2760 1.2822 1.2916 1.3668 1.3784 1.3824 1.3896 1.4018 1.4128 3.4662 3.4925 3.5009 3.5230 6.7934 6.8699 7.1789 7.2876 7.3813 7.4852 7.9446 8.0462 8.1558 8.3027 8.4174 8.5271 8.7073 8.9429 10.9749 11.0067 11.3683 11.4088 11.5775 11.6111 12.2589 12.3183 12.5728 12.6343 k = 0.0889 0.0513-0.0000 ( 4544 PWs) bands (ev): -4.6889 -4.6878 -3.4579 -3.4575 -3.4555 -3.4549 0.6414 0.6524 0.6804 0.6830 0.7507 0.7529 0.9227 0.9244 0.9514 0.9573 0.9634 0.9912 0.9977 1.0081 1.0584 1.0639 1.1928 1.2019 1.2596 1.2640 1.2721 1.2772 1.2835 1.2939 1.3658 1.3784 1.3830 1.3901 1.4035 1.4142 3.4676 3.4983 3.5102 3.5370 6.6968 6.7831 7.0733 7.1944 7.3249 7.4169 7.8661 7.9570 8.0883 8.2448 8.3557 8.4841 8.6907 8.9406 11.0549 11.0849 11.4315 11.4755 11.6985 11.7325 12.1805 12.2460 12.5490 12.6062 k = 0.1000 0.0577-0.0000 ( 4552 PWs) bands (ev): -4.6708 -4.6696 -3.4465 -3.4461 -3.4432 -3.4425 0.6418 0.6534 0.6819 0.6854 0.7511 0.7542 0.9227 0.9248 0.9502 0.9571 0.9633 0.9932 0.9974 1.0092 1.0591 1.0666 1.1905 1.2009 1.2593 1.2636 1.2725 1.2786 1.2848 1.2963 1.3650 1.3784 1.3837 1.3903 1.4056 1.4157 3.4688 3.5038 3.5210 3.5522 6.5899 6.6840 6.9667 7.0955 7.2638 7.3397 7.7819 7.8664 8.0228 8.1795 8.2919 8.4413 8.6744 8.9353 11.1204 11.1478 11.4939 11.5409 11.8214 11.8537 12.1138 12.1872 12.5395 12.5930 k = 0.1111 0.0642-0.0000 ( 4556 PWs) bands (ev): -4.6507 -4.6493 -3.4340 -3.4335 -3.4295 -3.4288 0.6424 0.6544 0.6837 0.6883 0.7514 0.7558 0.9227 0.9253 0.9491 0.9569 0.9633 0.9945 0.9977 1.0105 1.0598 1.0698 1.1880 1.2000 1.2590 1.2632 1.2731 1.2799 1.2864 1.2988 1.3644 1.3785 1.3845 1.3904 1.4080 1.4172 3.4695 3.5087 3.5331 3.5687 6.4743 6.5738 6.8608 6.9929 7.1972 7.2542 7.6917 7.7773 7.9598 8.1092 8.2271 8.3982 8.6578 8.9268 11.1634 11.1876 11.5533 11.6020 11.9399 11.9692 12.0625 12.1434 12.5528 12.6043 k = 0.1222 0.0706-0.0000 ( 4558 PWs) bands (ev): -4.6285 -4.6271 -3.4205 -3.4199 -3.4145 -3.4138 0.6431 0.6553 0.6857 0.6915 0.7518 0.7576 0.9225 0.9257 0.9483 0.9567 0.9634 0.9949 0.9988 1.0119 1.0604 1.0732 1.1854 1.1989 1.2588 1.2629 1.2738 1.2813 1.2880 1.3015 1.3639 1.3786 1.3853 1.3907 1.4106 1.4189 3.4693 3.5128 3.5462 3.5862 6.3520 6.4545 6.7561 6.8880 7.1238 7.1614 7.5973 7.6912 7.8989 8.0360 8.1622 8.3544 8.6402 8.9150 11.1784 11.2005 11.6071 11.6550 12.0044 12.0649 12.0767 12.1192 12.5974 12.6481 k = 0.1333 0.0770-0.0000 ( 4562 PWs) bands (ev): -4.6044 -4.6028 -3.4059 -3.4054 -3.3983 -3.3974 0.6441 0.6562 0.6880 0.6950 0.7520 0.7597 0.9221 0.9261 0.9477 0.9563 0.9635 0.9947 1.0004 1.0136 1.0610 1.0770 1.1827 1.1979 1.2584 1.2627 1.2746 1.2828 1.2898 1.3044 1.3637 1.3788 1.3861 1.3911 1.4134 1.4207 3.4679 3.5158 3.5601 3.6045 6.2247 6.3287 6.6526 6.7821 7.0407 7.0640 7.5016 7.6082 7.8394 7.9616 8.0980 8.3098 8.6207 8.8997 11.1652 11.1879 11.6508 11.6954 11.9794 12.0769 12.1681 12.1973 12.6758 12.7254 k = 0.1444 0.0834-0.0000 ( 4548 PWs) bands (ev): -4.5784 -4.5766 -3.3905 -3.3899 -3.3808 -3.3799 0.6452 0.6571 0.6905 0.6990 0.7523 0.7620 0.9216 0.9264 0.9475 0.9560 0.9637 0.9944 1.0020 1.0154 1.0616 1.0812 1.1798 1.1970 1.2581 1.2626 1.2757 1.2842 1.2917 1.3074 1.3637 1.3790 1.3869 1.3919 1.4161 1.4228 3.4649 3.5173 3.5745 3.6235 6.0942 6.1989 6.5501 6.6764 6.9429 6.9672 7.4078 7.5281 7.7807 7.8871 8.0351 8.2643 8.5989 8.8809 11.1290 11.1548 11.6779 11.7193 11.9578 12.0557 12.2725 12.3028 12.7809 12.8287 k = 0.1556 0.0898-0.0000 ( 4542 PWs) bands (ev): -4.5504 -4.5486 -3.3743 -3.3736 -3.3621 -3.3611 0.6464 0.6581 0.6932 0.7032 0.7527 0.7645 0.9210 0.9267 0.9477 0.9556 0.9640 0.9942 1.0037 1.0173 1.0621 1.0856 1.1769 1.1961 1.2578 1.2626 1.2768 1.2857 1.2937 1.3105 1.3639 1.3793 1.3876 1.3930 1.4187 1.4252 3.4599 3.5168 3.5893 3.6429 5.9620 6.0672 6.4486 6.5718 6.8331 6.8691 7.3181 7.4503 7.7223 7.8136 7.9737 8.2180 8.5744 8.8583 11.0772 11.1068 11.6825 11.7253 11.9446 12.0397 12.3775 12.4095 12.9009 12.9459 k = 0.1667 0.0962-0.0000 ( 4544 PWs) bands (ev): -4.5206 -4.5186 -3.3573 -3.3566 -3.3423 -3.3413 0.6478 0.6589 0.6961 0.7077 0.7530 0.7673 0.9201 0.9267 0.9481 0.9551 0.9643 0.9940 1.0055 1.0192 1.0626 1.0903 1.1739 1.1954 1.2574 1.2627 1.2781 1.2872 1.2958 1.3137 1.3644 1.3797 1.3884 1.3945 1.4212 1.4281 3.4524 3.5138 3.6040 3.6623 5.8294 5.9353 6.3485 6.4693 6.7173 6.7655 7.2336 7.3747 7.6640 7.7417 7.9140 8.1711 8.5469 8.8320 11.0159 11.0490 11.6642 11.7132 11.9388 12.0311 12.4807 12.5143 13.0235 13.0632 k = 0.1778 0.1026-0.0000 ( 4540 PWs) bands (ev): -4.4891 -4.4869 -3.3397 -3.3390 -3.3215 -3.3204 0.6493 0.6599 0.6992 0.7126 0.7535 0.7703 0.9192 0.9267 0.9488 0.9547 0.9647 0.9939 1.0073 1.0211 1.0631 1.0952 1.1709 1.1947 1.2569 1.2630 1.2794 1.2886 1.2980 1.3169 1.3651 1.3802 1.3893 1.3963 1.4235 1.4313 3.4418 3.5077 3.6183 3.6815 5.6976 5.8043 6.2506 6.3698 6.5980 6.6563 7.1543 7.3012 7.6058 7.6716 7.8560 8.1236 8.5163 8.8020 10.9493 10.9853 11.6300 11.6850 11.9365 12.0271 12.5756 12.6127 13.1353 13.1622 k = 0.1889 0.1091-0.0000 ( 4534 PWs) bands (ev): -4.4557 -4.4535 -3.3216 -3.3209 -3.2997 -3.2985 0.6509 0.6609 0.7023 0.7176 0.7542 0.7735 0.9180 0.9266 0.9496 0.9546 0.9651 0.9939 1.0092 1.0231 1.0635 1.1004 1.1679 1.1943 1.2565 1.2634 1.2809 1.2901 1.3003 1.3202 1.3661 1.3808 1.3904 1.3985 1.4257 1.4349 3.4278 3.4979 3.6317 3.7001 5.5675 5.6755 6.1556 6.2740 6.4768 6.5431 7.0798 7.2297 7.5476 7.6037 7.7996 8.0758 8.4825 8.7683 10.8801 10.9183 11.5865 11.6450 11.9331 12.0233 12.6522 12.6970 13.2169 13.2264 k = 0.2000 0.1155-0.0000 ( 4546 PWs) bands (ev): -4.4208 -4.4184 -3.3032 -3.3024 -3.2770 -3.2757 0.6525 0.6618 0.7055 0.7226 0.7552 0.7769 0.9167 0.9263 0.9501 0.9550 0.9656 0.9940 1.0112 1.0249 1.0640 1.1057 1.1649 1.1941 1.2561 1.2640 1.2825 1.2915 1.3027 1.3235 1.3673 1.3815 1.3917 1.4010 1.4278 1.4388 3.4097 3.4837 3.6437 3.7174 5.4401 5.5494 6.0643 6.1824 6.3553 6.4280 7.0094 7.1602 7.4899 7.5380 7.7447 8.0278 8.4456 8.7311 10.8099 10.8497 11.5380 11.5979 11.9254 12.0163 12.6993 12.7549 13.2447 13.2863 k = 0.2111 0.1219-0.0000 ( 4546 PWs) bands (ev): -4.3842 -4.3817 -3.2844 -3.2837 -3.2535 -3.2522 0.6541 0.6629 0.7086 0.7274 0.7569 0.7805 0.9153 0.9261 0.9501 0.9561 0.9661 0.9943 1.0134 1.0267 1.0644 1.1111 1.1621 1.1942 1.2558 1.2646 1.2842 1.2929 1.3051 1.3267 1.3687 1.3824 1.3933 1.4040 1.4300 1.4431 3.3871 3.4646 3.6538 3.7328 5.3159 5.4267 5.9775 6.0952 6.2352 6.3131 6.9424 7.0927 7.4326 7.4747 7.6913 7.9797 8.4058 8.6905 10.7397 10.7805 11.4871 11.5471 11.9114 12.0040 12.7101 12.7730 13.2683 13.3399 k = 0.2222 0.1283-0.0000 ( 4542 PWs) bands (ev): -4.3460 -4.3434 -3.2655 -3.2648 -3.2292 -3.2279 0.6557 0.6641 0.7117 0.7317 0.7594 0.7843 0.9139 0.9258 0.9497 0.9577 0.9668 0.9949 1.0158 1.0284 1.0649 1.1166 1.1595 1.1946 1.2555 1.2655 1.2859 1.2942 1.3077 1.3298 1.3704 1.3834 1.3952 1.4075 1.4323 1.4477 3.3597 3.4402 3.6613 3.7457 5.1955 5.3077 5.8956 6.0119 6.1190 6.2010 6.8783 7.0273 7.3762 7.4137 7.6391 7.9317 8.3633 8.6469 10.6698 10.7112 11.4352 11.4946 11.8902 11.9853 12.6875 12.7488 13.3033 13.3911 k = 0.2333 0.1347-0.0000 ( 4538 PWs) bands (ev): -4.3065 -4.3037 -3.2467 -3.2460 -3.2044 -3.2030 0.6572 0.6653 0.7147 0.7352 0.7631 0.7881 0.9123 0.9256 0.9490 0.9593 0.9679 0.9955 1.0183 1.0300 1.0654 1.1221 1.1571 1.1954 1.2553 1.2665 1.2878 1.2956 1.3103 1.3328 1.3722 1.3846 1.3975 1.4114 1.4346 1.4527 3.3271 3.4100 3.6654 3.7552 5.0793 5.1926 5.8184 5.9302 6.0106 6.0949 6.8167 6.9639 7.3209 7.3549 7.5882 7.8838 8.3184 8.6004 10.6006 10.6420 11.3832 11.4417 11.8612 11.9595 12.6404 12.6950 13.3416 13.4321 k = 0.2444 0.1411-0.0000 ( 4546 PWs) bands (ev): -4.2656 -4.2627 -3.2280 -3.2273 -3.1791 -3.1776 0.6587 0.6666 0.7176 0.7377 0.7680 0.7920 0.9107 0.9255 0.9483 0.9607 0.9695 0.9964 1.0211 1.0314 1.0659 1.1274 1.1553 1.1966 1.2551 1.2676 1.2897 1.2969 1.3130 1.3357 1.3741 1.3859 1.4003 1.4159 1.4371 1.4581 3.2895 3.3739 3.6654 3.7601 4.9677 5.0814 5.7441 5.8461 5.9155 5.9994 6.7573 6.9026 7.2669 7.2983 7.5385 7.8362 8.2714 8.5515 10.5321 10.5731 11.3320 11.3892 11.8243 11.9256 12.5787 12.6270 13.3700 13.4544 k = 0.2556 0.1475-0.0000 ( 4546 PWs) bands (ev): -4.2234 -4.2204 -3.2096 -3.2089 -3.1533 -3.1518 0.6601 0.6680 0.7203 0.7394 0.7739 0.7958 0.9091 0.9255 0.9476 0.9618 0.9717 0.9974 1.0240 1.0328 1.0664 1.1322 1.1542 1.1983 1.2551 1.2690 1.2916 1.2983 1.3157 1.3384 1.3761 1.3873 1.4035 1.4211 1.4397 1.4642 3.2467 3.3319 3.6604 3.7595 4.8605 4.9736 5.6693 5.7605 5.8353 5.9196 6.7001 6.8434 7.2146 7.2439 7.4900 7.7888 8.2228 8.5004 10.4640 10.5043 11.2818 11.3379 11.7794 11.8828 12.5103 12.5557 13.3814 13.4563 k = 0.2667 0.1540-0.0000 ( 4554 PWs) bands (ev): -4.1801 -4.1770 -3.1917 -3.1910 -3.1273 -3.1258 0.6613 0.6695 0.7228 0.7404 0.7804 0.7994 0.9075 0.9255 0.9468 0.9626 0.9743 0.9986 1.0269 1.0342 1.0670 1.1361 1.1546 1.2004 1.2552 1.2705 1.2936 1.2997 1.3186 1.3410 1.3780 1.3888 1.4072 1.4268 1.4425 1.4709 3.1993 3.2844 3.6497 3.7521 4.7578 4.8690 5.5906 5.6798 5.7681 5.8580 6.6450 6.7865 7.1641 7.1916 7.4426 7.7418 8.1730 8.4477 10.3963 10.4354 11.2330 11.2879 11.7269 11.8307 12.4416 12.4870 13.3759 13.4411 k = 0.2778 0.1604-0.0000 ( 4560 PWs) bands (ev): -4.1357 -4.1326 -3.1744 -3.1738 -3.1012 -3.0996 0.6625 0.6709 0.7251 0.7411 0.7872 0.8029 0.9059 0.9257 0.9459 0.9634 0.9773 1.0000 1.0295 1.0359 1.0676 1.1385 1.1568 1.2030 1.2554 1.2722 1.2956 1.3012 1.3215 1.3434 1.3799 1.3905 1.4115 1.4332 1.4455 1.4785 3.1476 3.2319 3.6325 3.7370 4.6591 4.7669 5.5103 5.6055 5.7157 5.8125 6.5918 6.7318 7.1155 7.1414 7.3965 7.6950 8.1224 8.3937 10.3286 10.3662 11.1859 11.2396 11.6676 11.7693 12.3774 12.4235 13.3569 13.4136 k = 0.2889 0.1668-0.0000 ( 4558 PWs) bands (ev): -4.0904 -4.0872 -3.1579 -3.1574 -3.0750 -3.0734 0.6636 0.6724 0.7273 0.7416 0.7939 0.8062 0.9045 0.9259 0.9451 0.9642 0.9804 1.0015 1.0314 1.0383 1.0682 1.1397 1.1606 1.2061 1.2559 1.2743 1.2975 1.3030 1.3246 1.3457 1.3818 1.3922 1.4163 1.4401 1.4489 1.4872 3.0925 3.1753 3.6085 3.7132 4.5636 4.6664 5.4345 5.5377 5.6785 5.7794 6.5408 6.6795 7.0691 7.0934 7.3517 7.6484 8.0717 8.3389 10.2608 10.2965 11.1404 11.1931 11.6027 11.6997 12.3200 12.3662 13.3285 13.3780 k = 0.3000 0.1732-0.0000 ( 4554 PWs) bands (ev): -4.0444 -4.0411 -3.1424 -3.1420 -3.0489 -3.0473 0.6647 0.6738 0.7294 0.7419 0.7999 0.8095 0.9032 0.9262 0.9443 0.9651 0.9835 1.0033 1.0326 1.0412 1.0688 1.1404 1.1655 1.2096 1.2566 1.2766 1.2993 1.3051 1.3277 1.3479 1.3836 1.3940 1.4216 1.4470 1.4532 1.4972 3.0347 3.1155 3.5775 3.6804 4.4704 4.5667 5.3677 5.4782 5.6540 5.7565 6.4917 6.6295 7.0248 7.0476 7.3082 7.6021 8.0213 8.2836 10.1926 10.2262 11.0969 11.1487 11.5339 11.6241 12.2702 12.3150 13.2941 13.3376 k = 0.3111 0.1796-0.0000 ( 4556 PWs) bands (ev): -3.9977 -3.9943 -3.1281 -3.1277 -3.0232 -3.0215 0.6656 0.6751 0.7313 0.7422 0.8047 0.8131 0.9021 0.9264 0.9436 0.9661 0.9864 1.0053 1.0334 1.0444 1.0695 1.1410 1.1706 1.2134 1.2575 1.2791 1.3009 1.3077 1.3309 1.3501 1.3852 1.3958 1.4273 1.4524 1.4600 1.5087 2.9752 3.0536 3.5397 3.6388 4.3783 4.4673 5.3127 5.4291 5.6397 5.7419 6.4448 6.5820 6.9827 7.0040 7.2663 7.5559 7.9718 8.2284 10.1237 10.1551 11.0552 11.1063 11.4630 11.5448 12.2270 12.2693 13.2565 13.2949 k = 0.3222 0.1860-0.0000 ( 4560 PWs) bands (ev): -3.9505 -3.9471 -3.1151 -3.1148 -2.9978 -2.9962 0.6666 0.6763 0.7331 0.7424 0.8079 0.8172 0.9013 0.9265 0.9430 0.9672 0.9890 1.0076 1.0339 1.0476 1.0702 1.1418 1.1759 1.2173 1.2589 1.2820 1.3025 1.3106 1.3341 1.3521 1.3868 1.3977 1.4333 1.4565 1.4691 1.5219 2.9149 2.9907 3.4956 3.5893 4.2863 4.3676 5.2709 5.3913 5.6335 5.7345 6.4000 6.5370 6.9428 6.9626 7.2260 7.5099 7.9239 8.1736 10.0541 10.0832 11.0155 11.0660 11.3920 11.4645 12.1894 12.2285 13.2177 13.2516 k = 0.3333 0.1925-0.0000 ( 4560 PWs) bands (ev): -3.9031 -3.8996 -3.1036 -3.1034 -2.9729 -2.9713 0.6675 0.6774 0.7349 0.7427 0.8099 0.8212 0.9008 0.9265 0.9427 0.9684 0.9912 1.0100 1.0344 1.0506 1.0711 1.1429 1.1809 1.2211 1.2607 1.2851 1.3041 1.3140 1.3374 1.3541 1.3883 1.3997 1.4395 1.4602 1.4801 1.5369 2.8550 2.9278 3.4462 3.5331 4.1938 4.2677 5.2422 5.3651 5.6338 5.7331 6.3574 6.4944 6.9050 6.9234 7.1876 7.4641 7.8780 8.1197 9.9838 10.0106 10.9777 11.0278 11.3225 11.3854 12.1561 12.1917 13.1791 13.2092 k = 0.3444 0.1989-0.0000 ( 4564 PWs) bands (ev): -3.8554 -3.8519 -3.0938 -3.0937 -2.9488 -2.9472 0.6683 0.6783 0.7366 0.7430 0.8110 0.8247 0.9006 0.9263 0.9426 0.9696 0.9928 1.0122 1.0350 1.0532 1.0724 1.1443 1.1858 1.2245 1.2629 1.2883 1.3057 1.3178 1.3408 1.3560 1.3898 1.4017 1.4456 1.4638 1.4928 1.5537 2.7963 2.8661 3.3923 3.4716 4.1006 4.1677 5.2261 5.3498 5.6390 5.7368 6.3170 6.4543 6.8693 6.8866 7.1515 7.4184 7.8347 8.0670 9.9129 9.9374 10.9419 10.9916 11.2558 11.3094 12.1261 12.1582 13.1419 13.1685 k = 0.3556 0.2053-0.0000 ( 4552 PWs) bands (ev): -3.8079 -3.8043 -3.0860 -3.0858 -2.9255 -2.9240 0.6691 0.6791 0.7382 0.7434 0.8117 0.8274 0.9008 0.9260 0.9429 0.9710 0.9940 1.0141 1.0359 1.0556 1.0742 1.1457 1.1904 1.2272 1.2656 1.2916 1.3075 1.3219 1.3441 1.3580 1.3912 1.4037 1.4516 1.4673 1.5077 1.5723 2.7399 2.8066 3.3353 3.4065 4.0071 4.0682 5.2211 5.3443 5.6478 5.7446 6.2789 6.4168 6.8353 6.8521 7.1179 7.3732 7.7944 8.0160 9.8416 9.8641 10.9080 10.9575 11.1930 11.2378 12.0987 12.1274 13.1068 13.1303 k = 0.3667 0.2117-0.0000 ( 4560 PWs) bands (ev): -3.7606 -3.7570 -3.0801 -3.0798 -2.9032 -2.9017 0.6699 0.6796 0.7398 0.7438 0.8119 0.8291 0.9011 0.9253 0.9435 0.9724 0.9947 1.0152 1.0370 1.0577 1.0766 1.1472 1.1947 1.2294 1.2685 1.2947 1.3093 1.3263 1.3473 1.3600 1.3926 1.4058 1.4572 1.4707 1.5249 1.5926 2.6867 2.7502 3.2761 3.3392 3.9138 3.9697 5.2257 5.3473 5.6591 5.7556 6.2432 6.3817 6.8028 6.8201 7.0872 7.3287 7.7575 7.9670 9.7703 9.7911 10.8760 10.9251 11.1347 11.1717 12.0734 12.0989 13.0743 13.0951 k = 0.3778 0.2181-0.0000 ( 4560 PWs) bands (ev): -3.7138 -3.7102 -3.0764 -3.0760 -2.8820 -2.8806 0.6706 0.6801 0.7413 0.7443 0.8120 0.8299 0.9016 0.9244 0.9444 0.9739 0.9949 1.0154 1.0383 1.0593 1.0799 1.1485 1.1987 1.2308 1.2716 1.2974 1.3114 1.3307 1.3504 1.3621 1.3940 1.4078 1.4623 1.4740 1.5446 1.6143 2.6375 2.6978 3.2159 3.2711 3.8216 3.8732 5.2382 5.3574 5.6716 5.7690 6.2098 6.3490 6.7716 6.7904 7.0598 7.2853 7.7243 7.9203 9.6996 9.7189 10.8460 10.8945 11.0815 11.1120 12.0498 12.0724 13.0448 13.0631 k = 0.3889 0.2245-0.0000 ( 4568 PWs) bands (ev): -3.6677 -3.6642 -3.0750 -3.0744 -2.8622 -2.8608 0.6712 0.6804 0.7426 0.7449 0.8119 0.8301 0.9022 0.9234 0.9455 0.9754 0.9948 1.0149 1.0398 1.0606 1.0840 1.1495 1.2024 1.2318 1.2747 1.2998 1.3136 1.3348 1.3533 1.3642 1.3953 1.4098 1.4668 1.4770 1.5668 1.6371 2.5931 2.6502 3.1557 3.2034 3.7317 3.7792 5.2569 5.3732 5.6845 5.7838 6.1790 6.3185 6.7417 6.7629 7.0360 7.2435 7.6949 7.8762 9.6303 9.6484 10.8180 10.8654 11.0335 11.0589 12.0278 12.0478 13.0184 13.0344 k = 0.4000 0.2309-0.0000 ( 4560 PWs) bands (ev): -3.6227 -3.6192 -3.0758 -3.0750 -2.8437 -2.8425 0.6719 0.6805 0.7440 0.7456 0.8117 0.8296 0.9028 0.9223 0.9469 0.9769 0.9944 1.0138 1.0414 1.0615 1.0889 1.1503 1.2059 1.2323 1.2780 1.3018 1.3160 1.3384 1.3561 1.3665 1.3968 1.4117 1.4707 1.4798 1.5911 1.6606 2.5543 2.6079 3.0963 3.1371 3.6449 3.6889 5.2805 5.3933 5.6970 5.7994 6.1506 6.2902 6.7131 6.7373 7.0162 7.2039 7.6694 7.8350 9.5633 9.5803 10.7922 10.8377 10.9910 11.0128 12.0074 12.0249 12.9951 13.0091 k = 0.4111 0.2374-0.0000 ( 4544 PWs) bands (ev): -3.5789 -3.5755 -3.0790 -3.0780 -2.8268 -2.8257 0.6725 0.6805 0.7451 0.7465 0.8116 0.8287 0.9035 0.9211 0.9485 0.9784 0.9936 1.0122 1.0430 1.0620 1.0944 1.1507 1.2090 1.2325 1.2812 1.3034 1.3185 1.3413 1.3587 1.3688 1.3983 1.4135 1.4739 1.4821 1.6170 1.6843 2.5215 2.5715 3.0388 3.0732 3.5625 3.6030 5.3077 5.4163 5.7085 5.8148 6.1252 6.2638 6.6863 6.7132 7.0005 7.1671 7.6479 7.7968 9.4996 9.5155 10.7686 10.8114 10.9541 10.9734 11.9886 12.0039 12.9750 12.9871 k = 0.4222 0.2438-0.0000 ( 4544 PWs) bands (ev): -3.5369 -3.5336 -3.0844 -3.0833 -2.8116 -2.8105 0.6731 0.6803 0.7461 0.7474 0.8115 0.8274 0.9042 0.9198 0.9502 0.9797 0.9927 1.0103 1.0447 1.0621 1.1002 1.1507 1.2119 1.2323 1.2843 1.3046 1.3211 1.3433 1.3612 1.3709 1.3999 1.4151 1.4766 1.4840 1.6439 1.7075 2.4953 2.5415 2.9837 3.0124 3.4857 3.5225 5.3371 5.4407 5.7190 5.8289 6.1029 6.2389 6.6614 6.6904 6.9888 7.1337 7.6304 7.7619 9.4401 9.4548 10.7474 10.7866 10.9228 10.9401 11.9716 11.9848 12.9579 12.9682 k = 0.4333 0.2502-0.0000 ( 4536 PWs) bands (ev): -3.4969 -3.4938 -3.0919 -3.0908 -2.7981 -2.7972 0.6736 0.6801 0.7470 0.7484 0.8115 0.8258 0.9050 0.9185 0.9522 0.9807 0.9917 1.0082 1.0463 1.0620 1.1061 1.1502 1.2146 1.2320 1.2874 1.3054 1.3236 1.3444 1.3638 1.3728 1.4017 1.4163 1.4786 1.4853 1.6710 1.7294 2.4758 2.5179 2.9320 2.9557 3.4157 3.4486 5.3676 5.4649 5.7285 5.8405 6.0844 6.2154 6.6390 6.6688 6.9811 7.1039 7.6168 7.7303 9.3860 9.3993 10.7290 10.7636 10.8971 10.9124 11.9566 11.9677 12.9436 12.9523 k = 0.4444 0.2566-0.0000 ( 4534 PWs) bands (ev): -3.4595 -3.4566 -3.1013 -3.1001 -2.7865 -2.7858 0.6742 0.6797 0.7478 0.7492 0.8117 0.8242 0.9057 0.9171 0.9544 0.9808 0.9911 1.0061 1.0481 1.0615 1.1119 1.1492 1.2170 1.2314 1.2904 1.3059 1.3262 1.3447 1.3662 1.3743 1.4036 1.4172 1.4801 1.4861 1.6974 1.7490 2.4630 2.5005 2.8844 2.9040 3.3537 3.3824 5.3983 5.4873 5.7377 5.8482 6.0709 6.1929 6.6196 6.6486 6.9771 7.0779 7.6070 7.7022 9.3383 9.3500 10.7134 10.7428 10.8765 10.8896 11.9436 11.9528 12.9320 12.9391 k = 0.4556 0.2630-0.0000 ( 4536 PWs) bands (ev): -3.4256 -3.4229 -3.1120 -3.1107 -2.7769 -2.7763 0.6747 0.6793 0.7485 0.7499 0.8120 0.8224 0.9065 0.9157 0.9568 0.9798 0.9912 1.0040 1.0498 1.0609 1.1175 1.1477 1.2192 1.2307 1.2933 1.3060 1.3288 1.3444 1.3685 1.3753 1.4056 1.4176 1.4812 1.4864 1.7220 1.7655 2.4565 2.4887 2.8420 2.8581 3.3012 3.3252 5.4279 5.5060 5.7476 5.8505 6.0633 6.1712 6.6038 6.6301 6.9763 7.0557 7.6009 7.6774 9.2980 9.3078 10.7009 10.7247 10.8607 10.8714 11.9329 11.9401 12.9229 12.9285 k = 0.4667 0.2694-0.0000 ( 4540 PWs) bands (ev): -3.3959 -3.3937 -3.1232 -3.1220 -2.7693 -2.7689 0.6753 0.6787 0.7492 0.7503 0.8126 0.8206 0.9073 0.9143 0.9595 0.9777 0.9921 1.0021 1.0515 1.0600 1.1229 1.1457 1.2212 1.2298 1.2960 1.3057 1.3313 1.3434 1.3706 1.3759 1.4078 1.4174 1.4821 1.4862 1.7439 1.7779 2.4554 2.4815 2.8063 2.8192 3.2595 3.2781 5.4555 5.5191 5.7592 5.8467 6.0625 6.1503 6.5920 6.6137 6.9783 7.0370 7.5985 7.6561 9.2659 9.2736 10.6916 10.7096 10.8491 10.8572 11.9245 11.9300 12.9162 12.9204 k = 0.4778 0.2758-0.0000 ( 4532 PWs) bands (ev): -3.3722 -3.3705 -3.1334 -3.1324 -2.7639 -2.7636 0.6759 0.6782 0.7498 0.7506 0.8135 0.8189 0.9083 0.9130 0.9624 0.9750 0.9934 1.0002 1.0531 1.0589 1.1279 1.1432 1.2230 1.2287 1.2985 1.3051 1.3337 1.3421 1.3725 1.3761 1.4100 1.4168 1.4829 1.4857 1.7622 1.7856 2.4583 2.4770 2.7793 2.7886 3.2297 3.2425 5.4800 5.5252 5.7730 5.8369 6.0680 6.1301 6.5847 6.6001 6.9827 7.0215 7.5997 7.6381 9.2429 9.2481 10.6858 10.6977 10.8415 10.8469 11.9188 11.9224 12.9117 12.9144 k = 0.4889 0.2823-0.0000 ( 4542 PWs) bands (ev): -3.3563 -3.3554 -3.1408 -3.1402 -2.7605 -2.7604 0.6764 0.6776 0.7502 0.7506 0.8145 0.8172 0.9093 0.9117 0.9654 0.9718 0.9949 0.9983 1.0547 1.0576 1.1324 1.1401 1.2246 1.2275 1.3006 1.3040 1.3361 1.3403 1.3740 1.3758 1.4121 1.4156 1.4836 1.4851 1.7760 1.7879 2.4634 2.4733 2.7630 2.7680 3.2128 3.2193 5.5003 5.5239 5.7890 5.8227 6.0789 6.1110 6.5819 6.5899 6.9893 7.0085 7.6042 7.6235 9.2294 9.2320 10.6834 10.6894 10.8375 10.8403 11.9156 11.9174 12.9093 12.9106 k = 0.5000 0.2887-0.0000 ( 4546 PWs) bands (ev): -3.3504 -3.3504 -3.1433 -3.1433 -2.7594 -2.7594 0.6770 0.6770 0.7505 0.7505 0.8158 0.8158 0.9105 0.9105 0.9686 0.9686 0.9966 0.9966 1.0562 1.0562 1.1365 1.1365 1.2261 1.2261 1.3025 1.3025 1.3383 1.3383 1.3751 1.3751 1.4140 1.4140 1.4843 1.4843 1.7847 1.7847 2.4688 2.4688 2.7591 2.7591 3.2093 3.2093 5.5153 5.5153 5.8061 5.8061 6.0937 6.0937 6.5837 6.5837 6.9979 6.9979 7.6122 7.6122 9.2257 9.2257 10.6846 10.6846 10.8372 10.8372 11.9152 11.9152 12.9089 12.9089 k = 0.5000 0.2887-0.0000 ( 4546 PWs) bands (ev): -3.3504 -3.3504 -3.1433 -3.1433 -2.7594 -2.7594 0.6770 0.6770 0.7505 0.7505 0.8158 0.8158 0.9105 0.9105 0.9686 0.9686 0.9966 0.9966 1.0562 1.0562 1.1365 1.1365 1.2261 1.2261 1.3025 1.3025 1.3383 1.3383 1.3751 1.3751 1.4140 1.4140 1.4843 1.4843 1.7847 1.7847 2.4688 2.4688 2.7591 2.7591 3.2093 3.2093 5.5153 5.5153 5.8061 5.8061 6.0937 6.0937 6.5837 6.5837 6.9979 6.9979 7.6122 7.6122 9.2257 9.2257 10.6846 10.6846 10.8372 10.8372 11.9152 11.9152 12.9089 12.9089 k = 0.4936 0.2998-0.0000 ( 4542 PWs) bands (ev): -3.3498 -3.3497 -3.1429 -3.1427 -2.7595 -2.7594 0.6740 0.6802 0.7488 0.7522 0.8147 0.8171 0.9092 0.9120 0.9685 0.9689 0.9951 0.9982 1.0520 1.0607 1.1355 1.1373 1.2239 1.2281 1.3016 1.3029 1.3353 1.3417 1.3728 1.3775 1.4119 1.4164 1.4832 1.4857 1.7836 1.7859 2.4676 2.4717 2.7584 2.7617 3.2083 3.2125 5.4847 5.5348 5.7672 5.8186 6.0682 6.1327 6.5738 6.5818 6.9892 7.0161 7.5986 7.6110 9.2248 9.2332 10.6898 10.6971 10.8438 10.8560 11.9151 11.9259 12.8960 12.9023 k = 0.4872 0.3109-0.0000 ( 4536 PWs) bands (ev): -3.3480 -3.3478 -3.1415 -3.1411 -2.7597 -2.7595 0.6714 0.6837 0.7471 0.7540 0.8139 0.8187 0.9081 0.9137 0.9686 0.9695 0.9936 0.9998 1.0482 1.0654 1.1343 1.1380 1.2215 1.2298 1.3003 1.3029 1.3329 1.3453 1.3707 1.3800 1.4102 1.4191 1.4822 1.4872 1.7827 1.7871 2.4681 2.4761 2.7595 2.7660 3.2096 3.2182 5.4419 5.5434 5.7100 5.8022 6.0640 6.1739 6.5521 6.5673 6.9913 7.0429 7.5711 7.5957 9.2307 9.2468 10.7125 10.7271 10.8756 10.8995 11.9254 11.9469 12.8651 12.8774 k = 0.4808 0.3220-0.0000 ( 4540 PWs) bands (ev): -3.3449 -3.3446 -3.1390 -3.1385 -2.7600 -2.7598 0.6689 0.6874 0.7454 0.7557 0.8133 0.8206 0.9072 0.9156 0.9688 0.9701 0.9922 1.0014 1.0447 1.0703 1.1331 1.1386 1.2190 1.2313 1.2986 1.3024 1.3309 1.3490 1.3690 1.3825 1.4090 1.4221 1.4815 1.4890 1.7818 1.7884 2.4701 2.4823 2.7624 2.7721 3.2131 3.2261 5.3859 5.5373 5.6439 5.7677 6.0743 6.2103 6.5183 6.5398 7.0045 7.0769 7.5318 7.5685 9.2432 9.2660 10.7518 10.7734 10.9307 10.9654 11.9449 11.9773 12.8210 12.8386 k = 0.4744 0.3331-0.0000 ( 4540 PWs) bands (ev): -3.3406 -3.3403 -3.1356 -3.1350 -2.7605 -2.7602 0.6668 0.6912 0.7438 0.7574 0.8129 0.8228 0.9065 0.9177 0.9692 0.9710 0.9909 1.0031 1.0416 1.0753 1.1317 1.1390 1.2162 1.2325 1.2965 1.3015 1.3295 1.3527 1.3677 1.3849 1.4082 1.4254 1.4809 1.4911 1.7810 1.7898 2.4737 2.4900 2.7670 2.7801 3.2188 3.2364 5.3172 5.4981 5.5915 5.7271 6.0885 6.2387 6.4736 6.5000 7.0279 7.1155 7.4839 7.5331 9.2619 9.2901 10.8062 10.8344 11.0062 11.0508 11.9718 12.0148 12.7701 12.7925 k = 0.4679 0.3442-0.0000 ( 4542 PWs) bands (ev): -3.3351 -3.3347 -3.1313 -3.1305 -2.7611 -2.7608 0.6649 0.6952 0.7422 0.7592 0.8128 0.8253 0.9061 0.9199 0.9696 0.9721 0.9897 1.0048 1.0389 1.0804 1.1303 1.1392 1.2133 1.2333 1.2939 1.3004 1.3283 1.3561 1.3673 1.3872 1.4080 1.4290 1.4805 1.4934 1.7802 1.7912 2.4789 2.4994 2.7734 2.7899 3.2265 3.2489 5.2372 5.4177 5.5645 5.6851 6.0994 6.2557 6.4222 6.4507 7.0580 7.1545 7.4319 7.4953 9.2863 9.3186 10.8728 10.9072 11.0985 11.1522 12.0030 12.0559 12.7209 12.7479 k = 0.4615 0.3553-0.0000 ( 4534 PWs) bands (ev): -3.3284 -3.3280 -3.1260 -3.1251 -2.7619 -2.7615 0.6633 0.6992 0.7407 0.7610 0.8129 0.8281 0.9058 0.9223 0.9701 0.9733 0.9888 1.0065 1.0367 1.0855 1.1289 1.1393 1.2104 1.2339 1.2910 1.2993 1.3272 1.3587 1.3680 1.3893 1.4083 1.4329 1.4803 1.4961 1.7796 1.7927 2.4855 2.5103 2.7816 2.8014 3.2362 3.2637 5.1483 5.3202 5.5418 5.6420 6.1010 6.2507 6.3773 6.3979 7.0891 7.1858 7.3822 7.4634 9.3158 9.3510 10.9476 10.9879 11.2034 11.2654 12.0343 12.0948 12.6842 12.7149 k = 0.4551 0.3664-0.0000 ( 4548 PWs) bands (ev): -3.3206 -3.3201 -3.1199 -3.1188 -2.7630 -2.7625 0.6619 0.7031 0.7392 0.7627 0.8131 0.8311 0.9057 0.9246 0.9705 0.9746 0.9880 1.0083 1.0350 1.0904 1.1275 1.1392 1.2073 1.2342 1.2878 1.2982 1.3261 1.3603 1.3702 1.3912 1.4092 1.4369 1.4804 1.4990 1.7790 1.7941 2.4936 2.5228 2.7914 2.8148 3.2476 3.2807 5.0531 5.2165 5.5142 5.5967 6.0853 6.2060 6.3481 6.3635 7.1122 7.1962 7.3465 7.4491 9.3498 9.3869 11.0248 11.0707 11.3157 11.3852 12.0622 12.1254 12.6711 12.7039 k = 0.4487 0.3775-0.0000 ( 4552 PWs) bands (ev): -3.3117 -3.3111 -3.1129 -3.1117 -2.7643 -2.7638 0.6607 0.7070 0.7379 0.7645 0.8136 0.8346 0.9057 0.9271 0.9708 0.9759 0.9876 1.0101 1.0337 1.0950 1.1263 1.1390 1.2043 1.2341 1.2844 1.2971 1.3248 1.3614 1.3732 1.3930 1.4107 1.4413 1.4808 1.5024 1.7785 1.7957 2.5029 2.5368 2.8029 2.8299 3.2607 3.2997 4.9537 5.1107 5.4790 5.5479 6.0431 6.1315 6.3191 6.3672 7.1167 7.1763 7.3383 7.4602 9.3878 9.4260 11.0966 11.1477 11.4288 11.5048 12.0871 12.1469 12.6881 12.7218 k = 0.4423 0.3886-0.0000 ( 4552 PWs) bands (ev): -3.3018 -3.3011 -3.1052 -3.1038 -2.7660 -2.7653 0.6598 0.7107 0.7369 0.7662 0.8143 0.8383 0.9058 0.9297 0.9709 0.9773 0.9876 1.0120 1.0329 1.0992 1.1256 1.1387 1.2013 1.2337 1.2809 1.2961 1.3233 1.3624 1.3765 1.3947 1.4126 1.4459 1.4816 1.5060 1.7781 1.7972 2.5135 2.5522 2.8160 2.8468 3.2751 3.3207 4.8521 5.0051 5.4353 5.4945 5.9744 6.0438 6.3090 6.3794 7.0996 7.1373 7.3564 7.4910 9.4293 9.4680 11.1528 11.2080 11.5343 11.6148 12.1174 12.1691 12.7306 12.7647 k = 0.4359 0.3997-0.0000 ( 4558 PWs) bands (ev): -3.2908 -3.2901 -3.0968 -3.0953 -2.7680 -2.7673 0.6590 0.7139 0.7361 0.7680 0.8152 0.8423 0.9060 0.9322 0.9707 0.9787 0.9880 1.0139 1.0326 1.1024 1.1255 1.1383 1.1983 1.2330 1.2773 1.2952 1.3216 1.3635 1.3796 1.3967 1.4150 1.4507 1.4827 1.5101 1.7777 1.7987 2.5252 2.5689 2.8307 2.8654 3.2906 3.3435 4.7498 4.9012 5.3826 5.4360 5.8874 5.9491 6.3130 6.3950 7.0691 7.0940 7.3888 7.5313 9.4737 9.5125 11.1830 11.2402 11.6209 11.7031 12.1660 12.2081 12.7826 12.8128 k = 0.4295 0.4108-0.0000 ( 4552 PWs) bands (ev): -3.2789 -3.2781 -3.0878 -3.0861 -2.7704 -2.7696 0.6583 0.7167 0.7358 0.7697 0.8163 0.8466 0.9063 0.9347 0.9704 0.9800 0.9889 1.0159 1.0326 1.1044 1.1264 1.1379 1.1954 1.2320 1.2739 1.2944 1.3198 1.3647 1.3823 1.3989 1.4177 1.4557 1.4843 1.5144 1.7773 1.8003 2.5380 2.5868 2.8469 2.8856 3.3069 3.3678 4.6484 4.8005 5.3209 5.3721 5.7903 5.8503 6.3251 6.4126 7.0345 7.0528 7.4269 7.5747 9.5208 9.5593 11.1815 11.2380 11.6752 11.7559 12.2422 12.2757 12.8305 12.8560 k = 0.4231 0.4219-0.0000 ( 4548 PWs) bands (ev): -3.2662 -3.2653 -3.0783 -3.0765 -2.7733 -2.7724 0.6578 0.7188 0.7360 0.7714 0.8175 0.8510 0.9066 0.9371 0.9700 0.9814 0.9900 1.0179 1.0330 1.1051 1.1284 1.1377 1.1927 1.2307 1.2705 1.2937 1.3180 1.3661 1.3845 1.4014 1.4207 1.4607 1.4864 1.5190 1.7769 1.8018 2.5515 2.6057 2.8645 2.9075 3.3234 3.3935 4.5490 4.7041 5.2509 5.3029 5.6881 5.7492 6.3424 6.4320 7.0009 7.0161 7.4662 7.6178 9.5701 9.6080 11.1501 11.2037 11.6868 11.7632 12.3477 12.3754 12.8933 12.9238 k = 0.4167 0.4330-0.0000 ( 4544 PWs) bands (ev): -3.2526 -3.2517 -3.0684 -3.0665 -2.7767 -2.7757 0.6573 0.7202 0.7369 0.7730 0.8189 0.8556 0.9070 0.9394 0.9695 0.9827 0.9914 1.0199 1.0337 1.1047 1.1306 1.1381 1.1903 1.2290 1.2673 1.2931 1.3161 1.3675 1.3862 1.4040 1.4242 1.4657 1.4891 1.5238 1.7766 1.8034 2.5658 2.6256 2.8834 2.9309 3.3398 3.4200 4.4531 4.6132 5.1736 5.2288 5.5836 5.6474 6.3633 6.4533 6.9706 6.9847 7.5043 7.6592 9.6214 9.6586 11.0961 11.1455 11.6556 11.7261 12.4789 12.5052 12.9925 13.0323 k = 0.4103 0.4441-0.0000 ( 4546 PWs) bands (ev): -3.2384 -3.2374 -3.0583 -3.0562 -2.7806 -2.7796 0.6570 0.7208 0.7383 0.7745 0.8205 0.8603 0.9075 0.9414 0.9691 0.9839 0.9929 1.0217 1.0346 1.1036 1.1319 1.1398 1.1881 1.2270 1.2643 1.2926 1.3142 1.3689 1.3874 1.4066 1.4281 1.4706 1.4923 1.5287 1.7762 1.8050 2.5804 2.6462 2.9035 2.9558 3.3554 3.4469 4.3617 4.5290 5.0906 5.1506 5.4791 5.5464 6.3869 6.4763 6.9443 6.9588 7.5403 7.6980 9.6743 9.7107 11.0272 11.0722 11.5915 11.6562 12.6312 12.6596 13.1262 13.1767 k = 0.4038 0.4552-0.0000 ( 4538 PWs) bands (ev): -3.2235 -3.2225 -3.0480 -3.0458 -2.7851 -2.7840 0.6567 0.7210 0.7401 0.7759 0.8222 0.8649 0.9081 0.9433 0.9689 0.9852 0.9945 1.0234 1.0357 1.1023 1.1320 1.1430 1.1862 1.2247 1.2615 1.2922 1.3124 1.3703 1.3883 1.4090 1.4326 1.4754 1.4959 1.5337 1.7758 1.8065 2.5953 2.6672 2.9248 2.9820 3.3695 3.4734 4.2762 4.4527 5.0032 5.0692 5.3760 5.4473 6.4127 6.5011 6.9221 6.9378 7.5733 7.7336 9.7287 9.7641 10.9501 10.9906 11.5066 11.5664 12.8005 12.8324 13.2846 13.3462 k = 0.3974 0.4663-0.0000 ( 4542 PWs) bands (ev): -3.2081 -3.2071 -3.0377 -3.0355 -2.7902 -2.7890 0.6564 0.7209 0.7420 0.7771 0.8240 0.8693 0.9088 0.9448 0.9688 0.9864 0.9961 1.0248 1.0371 1.1009 1.1314 1.1467 1.1847 1.2221 1.2590 1.2918 1.3107 1.3717 1.3889 1.4111 1.4375 1.4800 1.4998 1.5385 1.7754 1.8081 2.6101 2.6883 2.9469 3.0095 3.3812 3.4986 4.1982 4.3852 4.9130 4.9857 5.2757 5.3514 6.4402 6.5273 6.9037 6.9211 7.6030 7.7657 9.7842 9.8187 10.8693 10.9055 11.4103 11.4665 12.9829 13.0188 13.4590 13.5320 k = 0.3910 0.4774-0.0000 ( 4550 PWs) bands (ev): -3.1924 -3.1913 -3.0277 -3.0254 -2.7958 -2.7945 0.6562 0.7206 0.7439 0.7781 0.8258 0.8734 0.9095 0.9460 0.9691 0.9876 0.9977 1.0257 1.0386 1.0995 1.1305 1.1506 1.1836 1.2193 1.2568 1.2916 1.3091 1.3730 1.3893 1.4128 1.4429 1.4846 1.5038 1.5431 1.7751 1.8097 2.6245 2.7091 2.9698 3.0381 3.3900 3.5209 4.1296 4.3275 4.8217 4.9016 5.1796 5.2598 6.4690 6.5550 6.8885 6.9077 7.6291 7.7942 9.8408 9.8744 10.7882 10.8203 11.3088 11.3625 13.1753 13.2157 13.6427 13.7277 k = 0.3846 0.4885-0.0000 ( 4554 PWs) bands (ev): -3.1764 -3.1753 -3.0182 -3.0159 -2.8019 -2.8005 0.6560 0.7203 0.7457 0.7791 0.8276 0.8771 0.9103 0.9470 0.9696 0.9888 0.9993 1.0263 1.0402 1.0983 1.1294 1.1546 1.1829 1.2162 1.2549 1.2914 1.3075 1.3743 1.3895 1.4143 1.4485 1.4891 1.5075 1.5472 1.7748 1.8114 2.6382 2.7292 2.9932 3.0677 3.3950 3.5384 4.0725 4.2804 4.7307 4.8180 5.0889 5.1737 6.4986 6.5839 6.8760 6.8969 7.6514 7.8189 9.8982 9.9309 10.7094 10.7374 11.2064 11.2587 13.3751 13.4205 13.8305 13.9284 k = 0.3782 0.4996-0.0000 ( 4550 PWs) bands (ev): -3.1603 -3.1592 -3.0095 -3.0071 -2.8083 -2.8069 0.6558 0.7199 0.7475 0.7799 0.8294 0.8805 0.9111 0.9478 0.9702 0.9901 1.0007 1.0264 1.0417 1.0974 1.1282 1.1583 1.1826 1.2130 1.2533 1.2914 1.3061 1.3757 1.3895 1.4156 1.4545 1.4935 1.5107 1.5509 1.7747 1.8131 2.6509 2.7481 3.0168 3.0979 3.3959 3.5489 4.0293 4.2440 4.6418 4.7364 5.0049 5.0943 6.5286 6.6135 6.8654 6.8877 7.6697 7.8397 9.9561 9.9880 10.6347 10.6589 11.1059 11.1578 13.5798 13.6310 14.0175 14.1291 k = 0.3718 0.5107-0.0000 ( 4546 PWs) bands (ev): -3.1442 -3.1432 -3.0019 -2.9996 -2.8149 -2.8134 0.6556 0.7197 0.7490 0.7805 0.8311 0.8834 0.9118 0.9486 0.9710 0.9914 1.0020 1.0262 1.0433 1.0969 1.1268 1.1619 1.1828 1.2097 1.2520 1.2914 1.3048 1.3769 1.3894 1.4166 1.4607 1.4979 1.5132 1.5538 1.7747 1.8149 2.6623 2.7654 3.0401 3.1286 3.3926 3.5506 4.0018 4.2179 4.5568 4.6582 4.9289 5.0226 6.5584 6.6437 6.8563 6.8795 7.6841 7.8566 10.0142 10.0452 10.5655 10.5861 11.0094 11.0620 13.7866 13.8447 14.1985 14.3204 k = 0.3654 0.5218-0.0000 ( 4546 PWs) bands (ev): -3.1285 -3.1275 -2.9958 -2.9936 -2.8212 -2.8199 0.6555 0.7195 0.7504 0.7810 0.8326 0.8861 0.9121 0.9494 0.9718 0.9928 1.0029 1.0257 1.0446 1.0967 1.1255 1.1652 1.1833 1.2063 1.2509 1.2915 1.3036 1.3782 1.3891 1.4174 1.4670 1.5021 1.5148 1.5560 1.7749 1.8167 2.6721 2.7806 3.0628 3.1591 3.3857 3.5432 3.9901 4.2005 4.4783 4.5848 4.8621 4.9600 6.5872 6.6739 6.8481 6.8714 7.6947 7.8697 10.0719 10.1022 10.5030 10.5204 10.9189 10.9733 13.9918 14.0584 14.3675 14.4835 k = 0.3590 0.5329-0.0000 ( 4544 PWs) bands (ev): -3.1135 -3.1124 -2.9917 -2.9895 -2.8270 -2.8257 0.6554 0.7193 0.7515 0.7814 0.8339 0.8884 0.9121 0.9502 0.9725 0.9942 1.0036 1.0250 1.0457 1.0968 1.1242 1.1682 1.1842 1.2029 1.2501 1.2917 1.3026 1.3794 1.3888 1.4181 1.4735 1.5059 1.5153 1.5573 1.7754 1.8185 2.6802 2.7932 3.0839 3.1887 3.3761 3.5285 3.9921 4.1888 4.4099 4.5176 4.8058 4.9073 6.6143 6.7036 6.8405 6.8629 7.7017 7.8792 10.1283 10.1579 10.4478 10.4628 10.8362 10.8936 14.1901 14.2669 14.5171 14.6150 k = 0.3526 0.5440-0.0000 ( 4546 PWs) bands (ev): -3.0995 -3.0985 -2.9898 -2.9878 -2.8318 -2.8307 0.6553 0.7192 0.7524 0.7817 0.8349 0.8906 0.9116 0.9510 0.9730 0.9956 1.0040 1.0243 1.0466 1.0971 1.1231 1.1707 1.1855 1.1996 1.2495 1.2919 1.3017 1.3806 1.3883 1.4186 1.4798 1.5087 1.5153 1.5578 1.7760 1.8201 2.6865 2.8030 3.1026 3.2161 3.3655 3.5099 4.0040 4.1773 4.3573 4.4584 4.7612 4.8657 6.6383 6.7321 6.8335 6.8534 7.7056 7.8855 10.1820 10.2107 10.4002 10.4147 10.7637 10.8254 14.3728 14.4598 14.6391 14.7240 k = 0.3462 0.5551-0.0000 ( 4542 PWs) bands (ev): -3.0875 -3.0865 -2.9901 -2.9881 -2.8352 -2.8343 0.6552 0.7191 0.7530 0.7819 0.8356 0.8924 0.9108 0.9516 0.9734 0.9970 1.0039 1.0237 1.0473 1.0975 1.1222 1.1726 1.1870 1.1965 1.2492 1.2921 1.3011 1.3816 1.3878 1.4190 1.4859 1.5091 1.5158 1.5577 1.7766 1.8216 2.6908 2.8098 3.1176 3.2390 3.3558 3.4918 4.0211 4.1601 4.3275 4.4091 4.7290 4.8357 6.6578 6.7585 6.8271 6.8426 7.7071 7.8889 10.2307 10.2575 10.3601 10.3772 10.7048 10.7719 14.5249 14.6149 14.7252 14.8223 k = 0.3397 0.5662-0.0000 ( 4546 PWs) bands (ev): -3.0787 -3.0778 -2.9917 -2.9898 -2.8371 -2.8364 0.6551 0.7191 0.7534 0.7820 0.8361 0.8937 0.9101 0.9521 0.9736 0.9981 1.0036 1.0233 1.0477 1.0978 1.1216 1.1739 1.1886 1.1938 1.2489 1.2923 1.3006 1.3824 1.3873 1.4192 1.4912 1.5071 1.5170 1.5572 1.7772 1.8226 2.6933 2.8138 3.1273 3.2544 3.3492 3.4783 4.0377 4.1394 4.3203 4.3726 4.7098 4.8178 6.6708 6.7808 6.8217 6.8318 7.7071 7.8904 10.2713 10.2917 10.3272 10.3527 10.6647 10.7371 14.6238 14.7075 14.7683 14.9172 k = 0.3333 0.5774-0.0000 ( 4554 PWs) bands (ev): -3.0752 -3.0743 -2.9928 -2.9908 -2.8377 -2.8370 0.6551 0.7191 0.7535 0.7820 0.8362 0.8943 0.9097 0.9522 0.9737 0.9986 1.0034 1.0231 1.0478 1.0979 1.1214 1.1744 1.1897 1.1924 1.2489 1.2923 1.3004 1.3827 1.3871 1.4192 1.4937 1.5056 1.5175 1.5570 1.7775 1.8230 2.6941 2.8150 3.1307 3.2597 3.3469 3.4734 4.0449 4.1294 4.3225 4.3571 4.7034 4.8119 6.6755 6.7920 6.8181 6.8264 7.7068 7.8906 10.2983 10.3026 10.3039 10.3455 10.6502 10.7250 14.6548 14.7371 14.7794 14.9594 k = 0.3333 0.5774-0.0000 ( 4554 PWs) bands (ev): -3.0752 -3.0743 -2.9928 -2.9908 -2.8377 -2.8370 0.6551 0.7191 0.7535 0.7820 0.8362 0.8943 0.9097 0.9522 0.9737 0.9986 1.0034 1.0231 1.0478 1.0979 1.1214 1.1744 1.1897 1.1924 1.2489 1.2923 1.3004 1.3827 1.3871 1.4192 1.4937 1.5056 1.5175 1.5570 1.7775 1.8230 2.6941 2.8150 3.1307 3.2597 3.3469 3.4734 4.0449 4.1294 4.3225 4.3571 4.7034 4.8119 6.6755 6.7920 6.8181 6.8264 7.7068 7.8906 10.2983 10.3026 10.3039 10.3455 10.6502 10.7250 14.6548 14.7371 14.7794 14.9594 k = 0.3269 0.5662-0.0000 ( 4550 PWs) bands (ev): -3.0792 -3.0783 -2.9912 -2.9892 -2.8373 -2.8365 0.6551 0.7191 0.7534 0.7820 0.8361 0.8937 0.9101 0.9520 0.9736 0.9980 1.0037 1.0233 1.0477 1.0977 1.1216 1.1738 1.1889 1.1936 1.2489 1.2922 1.3006 1.3823 1.3873 1.4192 1.4910 1.5070 1.5172 1.5573 1.7771 1.8225 2.6934 2.8139 3.1275 3.2549 3.3492 3.4780 4.0402 4.1384 4.3210 4.3707 4.7095 4.8176 6.6708 6.7813 6.8201 6.8322 7.7075 7.8907 10.2798 10.2992 10.3181 10.3465 10.6644 10.7368 14.6315 14.7156 14.7656 14.9305 k = 0.3205 0.5551-0.0000 ( 4550 PWs) bands (ev): -3.0912 -3.0899 -2.9862 -2.9843 -2.8362 -2.8354 0.6552 0.7191 0.7530 0.7819 0.8357 0.8919 0.9115 0.9515 0.9735 0.9966 1.0042 1.0237 1.0473 1.0973 1.1221 1.1723 1.1882 1.1956 1.2491 1.2920 1.3011 1.3814 1.3879 1.4190 1.4853 1.5073 1.5178 1.5584 1.7758 1.8209 2.6913 2.8107 3.1189 3.2426 3.3562 3.4897 4.0360 4.1579 4.3273 4.3994 4.7271 4.8340 6.6573 6.7599 6.8212 6.8420 7.7106 7.8918 10.2630 10.2934 10.3253 10.3495 10.7019 10.7696 14.5752 14.6642 14.7245 14.8706 k = 0.3141 0.5440-0.0000 ( 4548 PWs) bands (ev): -3.1097 -3.1081 -2.9790 -2.9772 -2.8350 -2.8340 0.6553 0.7190 0.7524 0.7817 0.8351 0.8893 0.9135 0.9508 0.9734 0.9946 1.0045 1.0243 1.0467 1.0966 1.1229 1.1698 1.1881 1.1976 1.2493 1.2916 1.3018 1.3799 1.3886 1.4186 1.4783 1.5037 1.5205 1.5600 1.7732 1.8179 2.6880 2.8059 3.1070 3.2263 3.3679 3.5050 4.0413 4.1815 4.3467 4.4354 4.7550 4.8600 6.6362 6.7333 6.8203 6.8486 7.7173 7.8948 10.2491 10.2857 10.3318 10.3596 10.7546 10.8177 14.5009 14.5927 14.6650 14.7967 k = 0.3077 0.5329-0.0000 ( 4546 PWs) bands (ev): -3.1333 -3.1313 -2.9710 -2.9693 -2.8340 -2.8329 0.6555 0.7190 0.7516 0.7814 0.8342 0.8862 0.9159 0.9498 0.9733 0.9922 1.0046 1.0251 1.0458 1.0956 1.1238 1.1668 1.1884 1.1997 1.2495 1.2912 1.3026 1.3781 1.3893 1.4181 1.4709 1.4979 1.5237 1.5618 1.7691 1.8132 2.6839 2.7998 3.0940 3.2093 3.3843 3.5217 4.0591 4.2089 4.3781 4.4766 4.7918 4.8945 6.6090 6.7025 6.8161 6.8506 7.7284 7.9009 10.2383 10.2769 10.3464 10.3774 10.8164 10.8761 14.4170 14.5083 14.5942 14.7137 k = 0.3013 0.5218-0.0000 ( 4546 PWs) bands (ev): -3.1607 -3.1585 -2.9631 -2.9614 -2.8335 -2.8324 0.6557 0.7188 0.7506 0.7811 0.8332 0.8828 0.9184 0.9486 0.9731 0.9896 1.0045 1.0257 1.0449 1.0943 1.1247 1.1634 1.1888 1.2018 1.2497 1.2907 1.3036 1.3759 1.3899 1.4174 1.4633 1.4908 1.5263 1.5634 1.7631 1.8067 2.6794 2.7931 3.0820 3.1940 3.4051 3.5396 4.0896 4.2410 4.4189 4.5223 4.8361 4.9362 6.5767 6.6679 6.8076 6.8478 7.7446 7.9106 10.2313 10.2705 10.3699 10.4028 10.8837 10.9414 14.3282 14.4166 14.5152 14.6237 k = 0.2949 0.5107-0.0000 ( 4550 PWs) bands (ev): -3.1914 -3.1889 -2.9559 -2.9542 -2.8339 -2.8327 0.6560 0.7186 0.7494 0.7806 0.8321 0.8794 0.9209 0.9474 0.9729 0.9869 1.0041 1.0261 1.0439 1.0928 1.1255 1.1597 1.1894 1.2037 1.2499 1.2901 1.3045 1.3734 1.3904 1.4166 1.4559 1.4831 1.5278 1.5644 1.7550 1.7982 2.6752 2.7862 3.0724 3.1823 3.4304 3.5593 4.1314 4.2790 4.4669 4.5722 4.8867 4.9839 6.5401 6.6297 6.7947 6.8406 7.7660 7.9244 10.2294 10.2690 10.4015 10.4358 10.9547 11.0114 14.2373 14.3214 14.4301 14.5282 k = 0.2885 0.4996-0.0000 ( 4550 PWs) bands (ev): -3.2248 -3.2220 -2.9497 -2.9479 -2.8352 -2.8340 0.6564 0.7183 0.7482 0.7800 0.8309 0.8760 0.9233 0.9462 0.9725 0.9842 1.0036 1.0262 1.0430 1.0910 1.1262 1.1560 1.1900 1.2056 1.2501 1.2895 1.3055 1.3705 1.3907 1.4155 1.4489 1.4752 1.5281 1.5647 1.7448 1.7877 2.6718 2.7800 3.0665 3.1753 3.4605 3.5821 4.1829 4.3229 4.5205 4.6257 4.9424 5.0368 6.5000 6.5883 6.7779 6.8297 7.7923 7.9425 10.2332 10.2734 10.4401 10.4757 11.0283 11.0848 14.1457 14.2248 14.3404 14.4283 k = 0.2821 0.4885-0.0000 ( 4558 PWs) bands (ev): -3.2606 -3.2577 -2.9448 -2.9430 -2.8378 -2.8365 0.6568 0.7179 0.7468 0.7793 0.8296 0.8726 0.9255 0.9450 0.9716 0.9819 1.0029 1.0257 1.0423 1.0888 1.1265 1.1521 1.1906 1.2075 1.2502 1.2889 1.3063 1.3673 1.3908 1.4143 1.4423 1.4672 1.5268 1.5639 1.7325 1.7753 2.6702 2.7753 3.0651 3.1735 3.4954 3.6089 4.2423 4.3723 4.5786 4.6827 5.0023 5.0939 6.4570 6.5445 6.7582 6.8159 7.8229 7.9648 10.2431 10.2842 10.4852 10.5222 11.1037 11.1608 14.0543 14.1282 14.2476 14.3259 k = 0.2756 0.4774-0.0000 ( 4554 PWs) bands (ev): -3.2986 -3.2955 -2.9413 -2.9395 -2.8416 -2.8403 0.6573 0.7174 0.7455 0.7785 0.8283 0.8694 0.9273 0.9441 0.9701 0.9803 1.0021 1.0248 1.0417 1.0864 1.1266 1.1484 1.1910 1.2092 1.2502 1.2882 1.3071 1.3637 1.3907 1.4128 1.4363 1.4594 1.5240 1.5621 1.7182 1.7610 2.6709 2.7727 3.0688 3.1774 3.5354 3.6405 4.3081 4.4266 4.6405 4.7426 5.0656 5.1544 6.4120 6.4988 6.7366 6.8002 7.8574 7.9909 10.2591 10.3011 10.5361 10.5744 11.1805 11.2387 13.9634 14.0324 14.1529 14.2232 k = 0.2692 0.4663-0.0000 ( 4562 PWs) bands (ev): -3.3385 -3.3352 -2.9395 -2.9375 -2.8468 -2.8455 0.6578 0.7168 0.7442 0.7776 0.8270 0.8662 0.9285 0.9434 0.9680 0.9793 1.0012 1.0233 1.0411 1.0836 1.1261 1.1450 1.1913 1.2108 1.2502 1.2875 1.3076 1.3598 1.3904 1.4110 1.4308 1.4518 1.5196 1.5589 1.7023 1.7449 2.6748 2.7733 3.0779 3.1870 3.5805 3.6773 4.3789 4.4850 4.7055 4.8053 5.1315 5.2178 6.3656 6.4521 6.7146 6.7838 7.8949 8.0203 10.2810 10.3241 10.5921 10.6320 11.2583 11.3180 13.8729 13.9383 14.0575 14.1226 k = 0.2628 0.4552-0.0000 ( 4564 PWs) bands (ev): -3.3801 -3.3768 -2.9392 -2.9372 -2.8534 -2.8521 0.6584 0.7160 0.7429 0.7766 0.8257 0.8632 0.9291 0.9432 0.9655 0.9789 1.0002 1.0216 1.0406 1.0806 1.1248 1.1421 1.1913 1.2123 1.2501 1.2867 1.3080 1.3558 1.3897 1.4090 1.4258 1.4447 1.5138 1.5545 1.6851 1.7275 2.6824 2.7776 3.0923 3.2021 3.6306 3.7195 4.4535 4.5465 4.7732 4.8701 5.1994 5.2834 6.3189 6.4054 6.6935 6.7678 7.9347 8.0526 10.3087 10.3526 10.6526 10.6942 11.3366 11.3984 13.7825 13.8463 13.9624 14.0261 k = 0.2564 0.4441-0.0000 ( 4576 PWs) bands (ev): -3.4233 -3.4198 -2.9407 -2.9385 -2.8615 -2.8602 0.6589 0.7152 0.7416 0.7755 0.8244 0.8601 0.9288 0.9435 0.9628 0.9787 0.9990 1.0195 1.0400 1.0773 1.1226 1.1400 1.1910 1.2136 1.2500 1.2858 1.3081 1.3516 1.3888 1.4066 1.4213 1.4380 1.5068 1.5488 1.6669 1.7088 2.6942 2.7861 3.1118 3.2225 3.6854 3.7670 4.5307 4.6105 4.8434 4.9367 5.2686 5.3506 6.2726 6.3599 6.6745 6.7534 7.9763 8.0871 10.3415 10.3862 10.7171 10.7605 11.4153 11.4796 13.6916 13.7566 13.8691 13.9347 k = 0.2500 0.4330-0.0000 ( 4584 PWs) bands (ev): -3.4678 -3.4643 -2.9438 -2.9417 -2.8711 -2.8698 0.6595 0.7142 0.7405 0.7743 0.8232 0.8571 0.9280 0.9441 0.9603 0.9786 0.9977 1.0174 1.0393 1.0738 1.1195 1.1387 1.1903 1.2146 1.2500 1.2848 1.3080 1.3474 1.3874 1.4039 1.4170 1.4321 1.4987 1.5421 1.6482 1.6892 2.7105 2.7993 3.1360 3.2478 3.7449 3.8197 4.6089 4.6763 4.9158 5.0047 5.3385 5.4190 6.2278 6.3169 6.6588 6.7419 8.0190 8.1233 10.3791 10.4243 10.7849 10.8303 11.4940 11.5612 13.6004 13.6685 13.7797 13.8490 k = 0.2436 0.4219-0.0000 ( 4580 PWs) bands (ev): -3.5135 -3.5099 -2.9488 -2.9465 -2.8822 -2.8808 0.6601 0.7132 0.7394 0.7730 0.8220 0.8539 0.9267 0.9449 0.9579 0.9785 0.9962 1.0152 1.0384 1.0703 1.1158 1.1381 1.1892 1.2153 1.2500 1.2838 1.3077 1.3433 1.3856 1.4007 1.4129 1.4268 1.4901 1.5345 1.6295 1.6691 2.7311 2.8173 3.1646 3.2776 3.8087 3.8773 4.6858 4.7443 4.9903 5.0737 5.4084 5.4880 6.1858 6.2781 6.6477 6.7344 8.0623 8.1607 10.4208 10.4663 10.8553 10.9031 11.5724 11.6429 13.5091 13.5811 13.6966 13.7689 k = 0.2372 0.4108-0.0000 ( 4574 PWs) bands (ev): -3.5602 -3.5565 -2.9554 -2.9531 -2.8947 -2.8933 0.6607 0.7121 0.7385 0.7716 0.8208 0.8506 0.9251 0.9456 0.9559 0.9781 0.9946 1.0130 1.0373 1.0667 1.1119 1.1377 1.1876 1.2157 1.2502 1.2827 1.3071 1.3393 1.3832 1.3972 1.4091 1.4222 1.4811 1.5262 1.6110 1.6488 2.7562 2.8402 3.1969 3.3114 3.8766 3.9396 4.7581 4.8155 5.0668 5.1435 5.4772 5.5567 6.1478 6.2456 6.6421 6.7320 8.1058 8.1989 10.4660 10.5116 10.9278 10.9782 11.6503 11.7246 13.4183 13.4934 13.6214 13.6944 k = 0.2308 0.3997-0.0000 ( 4574 PWs) bands (ev): -3.6077 -3.6040 -2.9638 -2.9614 -2.9086 -2.9071 0.6612 0.7109 0.7376 0.7701 0.8195 0.8471 0.9233 0.9462 0.9542 0.9774 0.9929 1.0108 1.0360 1.0631 1.1081 1.1376 1.1855 1.2156 1.2505 1.2816 1.3062 1.3356 1.3798 1.3935 1.4056 1.4182 1.4722 1.5174 1.5931 1.6286 2.7853 2.8676 3.2324 3.3485 3.9483 4.0063 4.8234 4.8901 5.1452 5.2142 5.5435 5.6241 6.1158 6.2218 6.6430 6.7355 8.1491 8.2374 10.5141 10.5596 11.0015 11.0549 11.7274 11.8059 13.3288 13.4055 13.5547 13.6255 k = 0.2244 0.3886-0.0000 ( 4574 PWs) bands (ev): -3.6558 -3.6521 -2.9738 -2.9713 -2.9239 -2.9223 0.6616 0.7096 0.7368 0.7684 0.8179 0.8435 0.9216 0.9465 0.9530 0.9762 0.9912 1.0086 1.0345 1.0596 1.1045 1.1375 1.1828 1.2151 1.2509 1.2804 1.3050 1.3321 1.3755 1.3898 1.4023 1.4145 1.4637 1.5084 1.5760 1.6087 2.8182 2.8993 3.2704 3.3883 4.0233 4.0771 4.8816 4.9660 5.2249 5.2862 5.6057 5.6883 6.0927 6.2100 6.6512 6.7457 8.1918 8.2758 10.5644 10.6094 11.0757 11.1325 11.8035 11.8867 13.2411 13.3183 13.4962 13.5622 k = 0.2179 0.3775-0.0000 ( 4570 PWs) bands (ev): -3.7043 -3.7006 -2.9854 -2.9828 -2.9403 -2.9387 0.6619 0.7082 0.7361 0.7665 0.8160 0.8399 0.9200 0.9463 0.9521 0.9746 0.9896 1.0066 1.0328 1.0562 1.1014 1.1373 1.1797 1.2143 1.2514 1.2793 1.3035 1.3289 1.3702 1.3864 1.3991 1.4113 1.4558 1.4994 1.5600 1.5894 2.8545 2.9349 3.3101 3.4300 4.1015 4.1519 4.9340 5.0401 5.3053 5.3601 5.6620 5.7465 6.0828 6.2131 6.6672 6.7630 8.2336 8.3140 10.6162 10.6606 11.1495 11.2100 11.8786 11.9667 13.1558 13.2326 13.4454 13.5046 k = 0.2115 0.3664-0.0000 ( 4574 PWs) bands (ev): -3.7532 -3.7495 -2.9985 -2.9959 -2.9580 -2.9563 0.6621 0.7067 0.7354 0.7645 0.8134 0.8362 0.9185 0.9457 0.9515 0.9724 0.9881 1.0045 1.0309 1.0531 1.0987 1.1372 1.1761 1.2130 1.2521 1.2782 1.3018 1.3260 1.3642 1.3831 1.3959 1.4083 1.4487 1.4905 1.5450 1.5710 2.8936 2.9738 3.3509 3.4727 4.1825 4.2302 4.9816 5.1099 5.3848 5.4370 5.7115 5.7941 6.0923 6.2337 6.6911 6.7878 8.2743 8.3515 10.6690 10.7123 11.2220 11.2865 11.9523 12.0456 13.0733 13.1494 13.4019 13.4530 k = 0.2051 0.3553-0.0000 ( 4574 PWs) bands (ev): -3.8021 -3.7985 -3.0130 -3.0104 -2.9768 -2.9750 0.6622 0.7050 0.7348 0.7623 0.8102 0.8327 0.9173 0.9448 0.9509 0.9700 0.9867 1.0026 1.0289 1.0503 1.0965 1.1369 1.1722 1.2115 1.2528 1.2771 1.2998 1.3233 1.3579 1.3797 1.3928 1.4055 1.4424 1.4818 1.5310 1.5537 2.9349 3.0156 3.3918 3.5156 4.2659 4.3120 5.0253 5.1738 5.4606 5.5180 5.7555 5.8293 6.1258 6.2720 6.7229 6.8199 8.3135 8.3883 10.7218 10.7641 11.2920 11.3607 12.0247 12.1233 12.9944 13.0694 13.3652 13.4079 k = 0.1987 0.3442-0.0000 ( 4566 PWs) bands (ev): -3.8510 -3.8474 -3.0288 -3.0261 -2.9965 -2.9946 0.6621 0.7031 0.7342 0.7599 0.8063 0.8294 0.9163 0.9437 0.9501 0.9677 0.9853 1.0008 1.0268 1.0478 1.0948 1.1365 1.1681 1.2098 1.2536 1.2760 1.2976 1.3208 1.3516 1.3763 1.3898 1.4031 1.4370 1.4735 1.5181 1.5378 2.9780 3.0594 3.4320 3.5575 4.3517 4.3969 5.0664 5.2313 5.5291 5.6039 5.7955 5.8587 6.1819 6.3263 6.7621 6.8590 8.3510 8.4242 10.7742 10.8152 11.3587 11.4316 12.0954 12.1993 12.9196 12.9937 13.3342 13.3701 k = 0.1923 0.3331-0.0000 ( 4566 PWs) bands (ev): -3.8997 -3.8962 -3.0458 -3.0431 -3.0170 -3.0152 0.6619 0.7011 0.7337 0.7573 0.8016 0.8262 0.9155 0.9425 0.9491 0.9656 0.9838 0.9992 1.0247 1.0454 1.0935 1.1358 1.1640 1.2078 1.2543 1.2751 1.2953 1.3185 1.3455 1.3726 1.3869 1.4008 1.4321 1.4655 1.5061 1.5233 3.0223 3.1046 3.4706 3.5975 4.4397 4.4848 5.1058 5.2832 5.5875 5.6941 5.8285 5.8992 6.2541 6.3933 6.8082 6.9047 8.3866 8.4591 10.8253 10.8653 11.4208 11.4978 12.1639 12.2725 12.8499 12.9233 13.3073 13.3410 k = 0.1859 0.3220-0.0000 ( 4562 PWs) bands (ev): -3.9481 -3.9446 -3.0639 -3.0611 -3.0384 -3.0364 0.6616 0.6988 0.7331 0.7546 0.7965 0.8229 0.9150 0.9412 0.9479 0.9639 0.9822 0.9978 1.0228 1.0433 1.0926 1.1347 1.1602 1.2057 1.2549 1.2742 1.2929 1.3162 1.3398 1.3688 1.3843 1.3988 1.4278 1.4578 1.4948 1.5105 3.0669 3.1504 3.5069 3.6344 4.5297 4.5756 5.1448 5.3307 5.6369 5.7849 5.8573 5.9602 6.3368 6.4699 6.8604 6.9563 8.4201 8.4930 10.8746 10.9140 11.4774 11.5580 12.2285 12.3412 12.7871 12.8604 13.2828 13.3209 k = 0.1795 0.3109-0.0000 ( 4566 PWs) bands (ev): -3.9959 -3.9925 -3.0828 -3.0801 -3.0603 -3.0583 0.6611 0.6964 0.7324 0.7516 0.7911 0.8195 0.9146 0.9397 0.9466 0.9626 0.9806 0.9966 1.0210 1.0413 1.0918 1.1331 1.1570 1.2036 1.2554 1.2733 1.2905 1.3141 1.3346 1.3648 1.3818 1.3969 1.4239 1.4504 1.4842 1.4994 3.1114 3.1960 3.5399 3.6672 4.6219 4.6691 5.1845 5.3754 5.6815 5.8552 5.9106 6.0366 6.4263 6.5535 6.9177 7.0132 8.4515 8.5258 10.9216 10.9611 11.5277 11.6111 12.2862 12.4013 12.7335 12.8091 13.2612 13.3059 k = 0.1731 0.2998-0.0000 ( 4550 PWs) bands (ev): -4.0432 -4.0398 -3.1026 -3.0999 -3.0828 -3.0807 0.6605 0.6939 0.7315 0.7486 0.7856 0.8158 0.9144 0.9381 0.9456 0.9615 0.9789 0.9957 1.0193 1.0393 1.0911 1.1308 1.1547 1.2015 1.2559 1.2726 1.2882 1.3121 1.3298 1.3608 1.3796 1.3953 1.4203 1.4432 1.4746 1.4899 3.1551 3.2407 3.5691 3.6952 4.7163 4.7652 5.2258 5.4188 5.7264 5.8955 6.0026 6.1223 6.5203 6.6423 6.9793 7.0747 8.4805 8.5576 10.9660 11.0064 11.5711 11.6562 12.3308 12.4459 12.6928 12.7771 13.2433 13.2897 k = 0.1667 0.2887-0.0000 ( 4550 PWs) bands (ev): -4.0897 -4.0864 -3.1230 -3.1203 -3.1056 -3.1036 0.6598 0.6911 0.7303 0.7455 0.7802 0.8119 0.9143 0.9365 0.9448 0.9605 0.9772 0.9948 1.0179 1.0374 1.0904 1.1278 1.1533 1.1995 1.2563 1.2720 1.2859 1.3101 1.3255 1.3568 1.3776 1.3937 1.4168 1.4363 1.4659 1.4816 3.1973 3.2837 3.5938 3.7177 4.8132 4.8640 5.2698 5.4623 5.7759 5.9371 6.1035 6.2136 6.6174 6.7348 7.0441 7.1400 8.5071 8.5883 11.0075 11.0499 11.6071 11.6927 12.3534 12.4675 12.6697 12.7732 13.2296 13.2711 k = 0.1603 0.2776-0.0000 ( 4554 PWs) bands (ev): -4.1353 -4.1321 -3.1439 -3.1412 -3.1287 -3.1266 0.6589 0.6883 0.7286 0.7424 0.7751 0.8077 0.9145 0.9351 0.9442 0.9596 0.9757 0.9940 1.0166 1.0355 1.0895 1.1241 1.1529 1.1977 1.2566 1.2714 1.2837 1.3081 1.3216 1.3528 1.3757 1.3922 1.4136 1.4295 1.4585 1.4742 3.2375 3.3242 3.6138 3.7343 4.9127 4.9655 5.3172 5.5073 5.8327 5.9870 6.2066 6.3083 6.7166 6.8300 7.1114 7.2087 8.5313 8.6180 11.0463 11.0917 11.6356 11.7203 12.3499 12.4639 12.6679 12.7947 13.2191 13.2516 k = 0.1538 0.2665-0.0000 ( 4558 PWs) bands (ev): -4.1799 -4.1768 -3.1652 -3.1626 -3.1519 -3.1499 0.6580 0.6854 0.7262 0.7395 0.7704 0.8032 0.9147 0.9339 0.9438 0.9587 0.9743 0.9934 1.0154 1.0335 1.0884 1.1201 1.1533 1.1961 1.2568 1.2708 1.2816 1.3062 1.3180 1.3489 1.3739 1.3908 1.4104 1.4230 1.4522 1.4676 3.2750 3.3616 3.6289 3.7451 5.0149 5.0697 5.3690 5.5548 5.8983 6.0464 6.3103 6.4047 6.8170 6.9269 7.1803 7.2801 8.5532 8.6467 11.0827 11.1320 11.6567 11.7387 12.3273 12.4426 12.6817 12.8263 13.2082 13.2278 k = 0.1474 0.2554-0.0000 ( 4546 PWs) bands (ev): -4.2234 -4.2204 -3.1867 -3.1842 -3.1752 -3.1731 0.6570 0.6825 0.7233 0.7366 0.7662 0.7987 0.9152 0.9329 0.9436 0.9579 0.9730 0.9930 1.0144 1.0317 1.0871 1.1158 1.1543 1.1949 1.2570 1.2704 1.2798 1.3043 1.3148 1.3450 1.3723 1.3895 1.4073 1.4170 1.4469 1.4617 3.3095 3.3954 3.6393 3.7503 5.1200 5.1769 5.4263 5.6059 5.9730 6.1150 6.4136 6.5020 6.9180 7.0250 7.2503 7.3538 8.5727 8.6744 11.1172 11.1709 11.6705 11.7483 12.2959 12.4138 12.6979 12.8529 13.1897 13.1941 k = 0.1410 0.2443-0.0000 ( 4552 PWs) bands (ev): -4.2657 -4.2628 -3.2084 -3.2059 -3.1984 -3.1963 0.6558 0.6796 0.7198 0.7337 0.7627 0.7942 0.9157 0.9321 0.9435 0.9571 0.9718 0.9926 1.0133 1.0298 1.0856 1.1115 1.1559 1.1939 1.2571 1.2699 1.2780 1.3024 1.3117 1.3412 1.3708 1.3883 1.4043 1.4117 1.4424 1.4562 3.3407 3.4252 3.6450 3.7504 5.2275 5.2868 5.4900 5.6617 6.0565 6.1922 6.5161 6.5995 7.0188 7.1235 7.3208 7.4293 8.5900 8.7012 11.1505 11.2090 11.6773 11.7493 12.2624 12.3848 12.7060 12.8638 13.1479 13.1615 k = 0.1346 0.2332-0.0000 ( 4552 PWs) bands (ev): -4.3067 -4.3040 -3.2300 -3.2276 -3.2213 -3.2193 0.6546 0.6768 0.7160 0.7306 0.7599 0.7897 0.9164 0.9313 0.9435 0.9564 0.9707 0.9923 1.0122 1.0281 1.0838 1.1071 1.1578 1.1932 1.2572 1.2695 1.2764 1.3006 1.3089 1.3373 1.3694 1.3872 1.4012 1.4073 1.4386 1.4512 3.3682 3.4507 3.6466 3.7458 5.3371 5.3996 5.5611 5.7231 6.1478 6.2770 6.6172 6.6967 7.1189 7.2219 7.3916 7.5061 8.6052 8.7270 11.1831 11.2465 11.6773 11.7424 12.2307 12.3590 12.7005 12.8518 13.1018 13.1223 k = 0.1282 0.2221-0.0000 ( 4546 PWs) bands (ev): -4.3463 -4.3437 -3.2514 -3.2491 -3.2439 -3.2419 0.6534 0.6741 0.7122 0.7271 0.7577 0.7855 0.9172 0.9307 0.9437 0.9558 0.9697 0.9922 1.0111 1.0264 1.0819 1.1029 1.1601 1.1929 1.2573 1.2692 1.2750 1.2988 1.3063 1.3335 1.3681 1.3863 1.3981 1.4037 1.4352 1.4465 3.3920 3.4719 3.6446 3.7374 5.4477 5.5150 5.6407 5.7907 6.2455 6.3684 6.7164 6.7934 7.2175 7.3194 7.4627 7.5837 8.6184 8.7518 11.2156 11.2840 11.6709 11.7284 12.2029 12.3381 12.6781 12.8135 13.0611 13.0826 k = 0.1218 0.2110-0.0000 ( 4550 PWs) bands (ev): -4.3845 -4.3820 -3.2726 -3.2703 -3.2661 -3.2642 0.6521 0.6714 0.7083 0.7233 0.7561 0.7813 0.9181 0.9300 0.9439 0.9554 0.9688 0.9922 1.0099 1.0247 1.0798 1.0987 1.1627 1.1928 1.2574 1.2689 1.2737 1.2970 1.3037 1.3297 1.3669 1.3854 1.3950 1.4009 1.4322 1.4421 3.4122 3.4890 3.6393 3.7258 5.5582 5.6328 5.7294 5.8653 6.3484 6.4651 6.8133 6.8894 7.3137 7.4154 7.5344 7.6617 8.6298 8.7757 11.2483 11.3216 11.6585 11.7085 12.1801 12.3227 12.6372 12.7519 13.0236 13.0501 k = 0.1154 0.1999-0.0000 ( 4540 PWs) bands (ev): -4.4211 -4.4187 -3.2933 -3.2912 -3.2877 -3.2859 0.6508 0.6690 0.7045 0.7194 0.7550 0.7775 0.9190 0.9294 0.9442 0.9551 0.9679 0.9923 1.0087 1.0231 1.0776 1.0946 1.1654 1.1930 1.2575 1.2686 1.2725 1.2953 1.3013 1.3259 1.3658 1.3847 1.3923 1.3986 1.4295 1.4380 3.4288 3.5020 3.6314 3.7117 5.6674 5.7528 5.8272 5.9475 6.4548 6.5661 6.9080 6.9847 7.4067 7.5090 7.6074 7.7396 8.6395 8.7984 11.2811 11.3594 11.6411 11.6846 12.1626 12.3128 12.5784 12.6741 12.9860 13.0216 k = 0.1090 0.1887-0.0000 ( 4544 PWs) bands (ev): -4.4561 -4.4538 -3.3136 -3.3116 -3.3088 -3.3070 0.6495 0.6667 0.7009 0.7152 0.7541 0.7739 0.9199 0.9287 0.9446 0.9550 0.9671 0.9924 1.0074 1.0214 1.0754 1.0906 1.1682 1.1934 1.2576 1.2683 1.2714 1.2936 1.2990 1.3222 1.3650 1.3840 1.3899 1.3968 1.4270 1.4342 3.4421 3.5114 3.6215 3.6956 5.7751 5.8739 5.9333 6.0383 6.5630 6.6700 7.0004 7.0794 7.4951 7.5995 7.6827 7.8171 8.6478 8.8201 11.3130 11.3965 11.6196 11.6598 12.1500 12.3076 12.5046 12.5860 12.9452 12.9860 k = 0.1026 0.1776-0.0000 ( 4552 PWs) bands (ev): -4.4894 -4.4872 -3.3332 -3.3313 -3.3291 -3.3274 0.6482 0.6645 0.6976 0.7110 0.7535 0.7705 0.9207 0.9280 0.9449 0.9550 0.9664 0.9927 1.0061 1.0198 1.0732 1.0868 1.1711 1.1940 1.2577 1.2681 1.2705 1.2919 1.2967 1.3185 1.3642 1.3835 1.3879 1.3952 1.4245 1.4307 3.4524 3.5176 3.6100 3.6781 5.8820 5.9937 6.0467 6.1384 6.6711 6.7754 7.0908 7.1739 7.5781 7.6864 7.7610 7.8936 8.6548 8.8404 11.3411 11.4296 11.5963 11.6395 12.1407 12.3049 12.4212 12.4920 12.8945 12.9326 k = 0.0962 0.1665-0.0000 ( 4546 PWs) bands (ev): -4.5209 -4.5189 -3.3521 -3.3503 -3.3486 -3.3469 0.6470 0.6626 0.6945 0.7068 0.7531 0.7674 0.9215 0.9274 0.9454 0.9552 0.9657 0.9930 1.0047 1.0182 1.0711 1.0831 1.1741 1.1948 1.2578 1.2678 1.2699 1.2902 1.2946 1.3149 1.3637 1.3829 1.3863 1.3939 1.4219 1.4276 3.4600 3.5209 3.5974 3.6598 5.9888 6.1088 6.1673 6.2481 6.7773 6.8809 7.1800 7.2686 7.6550 7.7701 7.8421 7.9688 8.6607 8.8594 11.3596 11.4503 11.5779 11.6319 12.1307 12.2908 12.3434 12.3977 12.8269 12.8574 k = 0.0897 0.1554-0.0000 ( 4546 PWs) bands (ev): -4.5507 -4.5488 -3.3702 -3.3686 -3.3672 -3.3657 0.6458 0.6608 0.6917 0.7027 0.7527 0.7646 0.9222 0.9268 0.9459 0.9554 0.9652 0.9933 1.0033 1.0165 1.0691 1.0796 1.1771 1.1957 1.2580 1.2674 1.2694 1.2886 1.2925 1.3114 1.3634 1.3823 1.3851 1.3928 1.4192 1.4250 3.4653 3.5218 3.5841 3.6411 6.0959 6.2181 6.2943 6.3659 6.8795 6.9845 7.2687 7.3643 7.7259 7.8510 7.9245 8.0423 8.6659 8.8769 11.3609 11.4443 11.5782 11.6435 12.1085 12.2253 12.2835 12.3436 12.7398 12.7680 k = 0.0833 0.1443-0.0000 ( 4544 PWs) bands (ev): -4.5786 -4.5769 -3.3874 -3.3859 -3.3848 -3.3834 0.6447 0.6592 0.6891 0.6989 0.7524 0.7620 0.9227 0.9261 0.9465 0.9556 0.9647 0.9937 1.0018 1.0149 1.0672 1.0763 1.1800 1.1967 1.2582 1.2669 1.2692 1.2869 1.2906 1.3081 1.3634 1.3817 1.3843 1.3920 1.4164 1.4227 3.4687 3.5208 3.5705 3.6222 6.2035 6.3231 6.4252 6.4894 6.9758 7.0840 7.3581 7.4616 7.7919 7.9295 8.0064 8.1139 8.6706 8.8927 11.3422 11.4115 11.5975 11.6718 12.0503 12.1497 12.2123 12.3395 12.6419 12.6765 k = 0.0769 0.1332-0.0000 ( 4549 PWs) bands (ev): -4.6046 -4.6030 -3.4036 -3.4023 -3.4014 -3.4001 0.6438 0.6577 0.6868 0.6951 0.7521 0.7597 0.9231 0.9256 0.9472 0.9559 0.9643 0.9940 1.0004 1.0133 1.0654 1.0731 1.1828 1.1978 1.2583 1.2665 1.2692 1.2853 1.2888 1.3049 1.3634 1.3810 1.3838 1.3914 1.4136 1.4207 3.4705 3.5182 3.5570 3.6037 6.3108 6.4253 6.5578 6.6159 7.0651 7.1771 7.4492 7.5612 7.8543 8.0051 8.0865 8.1835 8.6752 8.9067 11.3067 11.3638 11.6203 11.7044 11.9619 12.0613 12.1759 12.3297 12.5556 12.5953 k = 0.0705 0.1221-0.0000 ( 4547 PWs) bands (ev): -4.6287 -4.6272 -3.4188 -3.4176 -3.4169 -3.4158 0.6429 0.6563 0.6848 0.6917 0.7518 0.7576 0.9233 0.9251 0.9481 0.9562 0.9640 0.9942 0.9990 1.0118 1.0638 1.0702 1.1855 1.1989 1.2586 1.2661 1.2693 1.2836 1.2871 1.3019 1.3638 1.3804 1.3834 1.3910 1.4108 1.4189 3.4710 3.5144 3.5439 3.5856 6.4170 6.5248 6.6903 6.7432 7.1466 7.2620 7.5424 7.6630 7.9143 8.0770 8.1638 8.2510 8.6801 8.9186 11.2589 11.3067 11.6284 11.7193 11.8758 11.9719 12.1490 12.2956 12.5065 12.5412 k = 0.0641 0.1110-0.0000 ( 4545 PWs) bands (ev): -4.6508 -4.6495 -3.4328 -3.4319 -3.4313 -3.4303 0.6422 0.6550 0.6830 0.6886 0.7515 0.7558 0.9234 0.9247 0.9491 0.9565 0.9638 0.9939 0.9980 1.0104 1.0623 1.0674 1.1881 1.1999 1.2588 1.2657 1.2694 1.2819 1.2856 1.2991 1.3642 1.3798 1.3830 1.3907 1.4081 1.4172 3.4706 3.5098 3.5314 3.5683 6.5210 6.6211 6.8213 6.8693 7.2205 7.3376 7.6373 7.7664 7.9730 8.1446 8.2372 8.3166 8.6858 8.9284 11.2010 11.2418 11.6045 11.6816 11.8160 11.8893 12.1308 12.2551 12.4909 12.5282 k = 0.0577 0.0999-0.0000 ( 4547 PWs) bands (ev): -4.6709 -4.6697 -3.4457 -3.4449 -3.4444 -3.4435 0.6417 0.6538 0.6814 0.6857 0.7511 0.7542 0.9232 0.9244 0.9502 0.9567 0.9637 0.9928 0.9976 1.0091 1.0609 1.0649 1.1905 1.2009 1.2591 1.2654 1.2697 1.2802 1.2843 1.2964 1.3649 1.3794 1.3826 1.3905 1.4056 1.4157 3.4695 3.5045 3.5198 3.5520 6.6212 6.7129 6.9490 6.9923 7.2875 7.4043 7.7323 7.8700 8.0310 8.2072 8.3060 8.3805 8.6929 8.9358 11.1337 11.1695 11.5460 11.6034 11.7527 11.8043 12.1447 12.2464 12.4956 12.5450 k = 0.0513 0.0888-0.0000 ( 4549 PWs) bands (ev): -4.6890 -4.6879 -3.4574 -3.4568 -3.4563 -3.4556 0.6413 0.6526 0.6800 0.6832 0.7507 0.7528 0.9230 0.9241 0.9515 0.9570 0.9637 0.9910 0.9978 1.0080 1.0597 1.0627 1.1928 1.2018 1.2594 1.2653 1.2700 1.2786 1.2830 1.2939 1.3658 1.3790 1.3822 1.3902 1.4035 1.4142 3.4680 3.4988 3.5093 3.5369 6.7162 6.7988 7.0718 7.1100 7.3481 7.4630 7.8255 7.9718 8.0890 8.2640 8.3699 8.4424 8.7019 8.9407 11.0577 11.0905 11.4692 11.5175 11.6623 11.7055 12.1953 12.2783 12.5167 12.5746 k = 0.0449 0.0777-0.0000 ( 4545 PWs) bands (ev): -4.7049 -4.7040 -3.4678 -3.4673 -3.4669 -3.4663 0.6411 0.6515 0.6788 0.6811 0.7503 0.7517 0.9228 0.9238 0.9528 0.9572 0.9637 0.9888 0.9982 1.0071 1.0586 1.0607 1.1950 1.2027 1.2598 1.2652 1.2703 1.2770 1.2819 1.2917 1.3668 1.3788 1.3818 1.3897 1.4018 1.4128 3.4664 3.4928 3.5004 3.5230 6.8042 6.8774 7.1876 7.2200 7.4034 7.5148 7.9150 8.0689 8.1474 8.3143 8.4293 8.5016 8.7132 8.9430 10.9745 11.0063 11.3904 11.4341 11.5582 11.5969 12.2686 12.3379 12.5487 12.6103 k = 0.0385 0.0666-0.0000 ( 4551 PWs) bands (ev): -4.7188 -4.7180 -3.4769 -3.4765 -3.4761 -3.4757 0.6411 0.6503 0.6777 0.6792 0.7498 0.7509 0.9225 0.9235 0.9542 0.9575 0.9639 0.9865 0.9987 1.0062 1.0576 1.0589 1.1969 1.2034 1.2602 1.2651 1.2706 1.2755 1.2810 1.2896 1.3679 1.3787 1.3814 1.3888 1.4008 1.4114 3.4647 3.4866 3.4930 3.5105 6.8836 6.9471 7.2940 7.3198 7.4542 7.5608 7.9992 8.1578 8.2066 8.3574 8.4854 8.5567 8.7271 8.9422 10.8877 10.9195 11.3171 11.3568 11.4527 11.4874 12.3532 12.4126 12.5875 12.6491 k = 0.0321 0.0555-0.0000 ( 4559 PWs) bands (ev): -4.7306 -4.7299 -3.4847 -3.4844 -3.4840 -3.4837 0.6412 0.6492 0.6768 0.6777 0.7492 0.7502 0.9223 0.9232 0.9555 0.9577 0.9643 0.9840 0.9992 1.0055 1.0566 1.0575 1.1986 1.2039 1.2607 1.2651 1.2709 1.2741 1.2803 1.2876 1.3692 1.3786 1.3810 1.3874 1.4004 1.4100 3.4633 3.4807 3.4871 3.4995 6.9531 7.0066 7.3881 7.4066 7.5012 7.6013 8.0771 8.2333 8.2672 8.3928 8.5398 8.6060 8.7428 8.9380 10.8022 10.8336 11.2523 11.2874 11.3534 11.3839 12.4421 12.4938 12.6302 12.6893 k = 0.0256 0.0444-0.0000 ( 4561 PWs) bands (ev): -4.7402 -4.7397 -3.4910 -3.4908 -3.4905 -3.4903 0.6415 0.6480 0.6761 0.6766 0.7488 0.7497 0.9221 0.9229 0.9567 0.9579 0.9650 0.9814 0.9998 1.0048 1.0559 1.0563 1.2001 1.2043 1.2612 1.2650 1.2711 1.2730 1.2798 1.2859 1.3707 1.3786 1.3806 1.3857 1.4005 1.4087 3.4622 3.4756 3.4822 3.4900 7.0116 7.0548 7.4662 7.4781 7.5461 7.6360 8.1476 8.2915 8.3270 8.4212 8.5934 8.6481 8.7591 8.9296 10.7236 10.7529 11.1971 11.2268 11.2658 11.2914 12.5288 12.5747 12.6742 12.7297 k = 0.0192 0.0333-0.0000 ( 4553 PWs) bands (ev): -4.7477 -4.7473 -3.4960 -3.4959 -3.4956 -3.4954 0.6419 0.6470 0.6755 0.6757 0.7485 0.7493 0.9221 0.9227 0.9576 0.9581 0.9660 0.9789 1.0004 1.0041 1.0553 1.0555 1.2015 1.2046 1.2618 1.2649 1.2712 1.2721 1.2796 1.2844 1.3723 1.3787 1.3803 1.3839 1.4011 1.4074 3.4615 3.4716 3.4782 3.4824 7.0584 7.0912 7.5251 7.5316 7.5907 7.6640 8.2097 8.3320 8.3794 8.4446 8.6454 8.6823 8.7745 8.9161 10.6573 10.6824 11.1530 11.1763 11.1940 11.2140 12.6070 12.6488 12.7178 12.7689 k = 0.0128 0.0222-0.0000 ( 4553 PWs) bands (ev): -4.7531 -4.7528 -3.4995 -3.4995 -3.4993 -3.4992 0.6425 0.6459 0.6751 0.6752 0.7483 0.7489 0.9220 0.9225 0.9582 0.9583 0.9675 0.9763 1.0010 1.0035 1.0548 1.0549 1.2025 1.2046 1.2624 1.2647 1.2712 1.2715 1.2797 1.2830 1.3740 1.3788 1.3800 1.3819 1.4019 1.4062 3.4615 3.4686 3.4751 3.4767 7.0934 7.1155 7.5644 7.5668 7.6328 7.6831 8.2624 8.3520 8.4217 8.4635 8.6916 8.7082 8.7896 8.8965 10.6080 10.6264 11.1211 11.1362 11.1425 11.1549 12.6709 12.7080 12.7603 12.8034 k = 0.0064 0.0111-0.0000 ( 4551 PWs) bands (ev): -4.7563 -4.7561 -3.5016 -3.5016 -3.5015 -3.5014 0.6432 0.6449 0.6748 0.6748 0.7483 0.7486 0.9221 0.9223 0.9584 0.9585 0.9694 0.9739 1.0017 1.0029 1.0545 1.0545 1.2034 1.2044 1.2631 1.2643 1.2712 1.2712 1.2802 1.2818 1.3758 1.3787 1.3797 1.3802 1.4028 1.4050 3.4623 3.4661 3.4731 3.4733 7.1166 7.1277 7.5865 7.5869 7.6657 7.6909 8.3046 8.3518 8.4530 8.4738 8.7227 8.7254 8.8100 8.8702 10.5791 10.5888 11.1026 11.1077 11.1140 11.1171 12.7179 12.7436 12.7985 12.8254 k = 0.0000 0.0000 0.0000 ( 4555 PWs) bands (ev): -4.7573 -4.7573 -3.5023 -3.5023 -3.5022 -3.5022 0.6440 0.6440 0.6747 0.6747 0.7484 0.7484 0.9221 0.9221 0.9585 0.9585 0.9716 0.9716 1.0023 1.0023 1.0544 1.0544 1.2040 1.2040 1.2637 1.2637 1.2711 1.2711 1.2809 1.2809 1.3775 1.3775 1.3796 1.3796 1.4038 1.4038 3.4639 3.4639 3.4723 3.4723 7.1281 7.1281 7.5935 7.5935 7.6854 7.6854 8.3350 8.3350 8.4708 8.4708 8.7321 8.7321 8.8392 8.8392 10.5726 10.5726 11.0976 11.0976 11.1039 11.1039 12.7461 12.7461 12.8250 12.8250 k = 0.0000 0.0000 0.0000 ( 4555 PWs) bands (ev): -4.7573 -4.7573 -3.5023 -3.5023 -3.5022 -3.5022 0.6440 0.6440 0.6747 0.6747 0.7484 0.7484 0.9221 0.9221 0.9585 0.9585 0.9716 0.9716 1.0023 1.0023 1.0544 1.0544 1.2040 1.2040 1.2637 1.2637 1.2711 1.2711 1.2809 1.2809 1.3775 1.3775 1.3796 1.3796 1.4038 1.4038 3.4639 3.4639 3.4723 3.4723 7.1281 7.1281 7.5935 7.5935 7.6854 7.6854 8.3350 8.3350 8.4708 8.4708 8.7321 8.7321 8.8392 8.8392 10.5726 10.5726 11.0976 11.0976 11.1039 11.1039 12.7461 12.7461 12.8250 12.8250 k = 0.0000 0.0000 0.0127 ( 4555 PWs) bands (ev): -4.7561 -4.7561 -3.5632 -3.5631 -3.4417 -3.4416 0.6391 0.6485 0.6670 0.6821 0.7450 0.7517 0.9210 0.9236 0.9540 0.9631 0.9664 0.9766 1.0013 1.0035 1.0490 1.0599 1.1989 1.2087 1.2623 1.2648 1.2674 1.2748 1.2800 1.2822 1.3759 1.3779 1.3792 1.3813 1.4027 1.4048 3.3310 3.3393 3.6013 3.6099 7.1235 7.1318 7.5901 7.5968 7.6703 7.6986 8.3057 8.3589 8.4574 8.4801 8.7051 8.7593 8.8274 8.8379 10.5799 10.5828 11.0840 11.0900 11.1125 11.1191 12.7325 12.7512 12.7726 12.7799 k = 0.0000 0.0000 0.0255 ( 4549 PWs) bands (ev): -4.7524 -4.7524 -3.6240 -3.6239 -3.3817 -3.3816 0.6337 0.6526 0.6588 0.6891 0.7415 0.7548 0.9202 0.9253 0.9496 0.9614 0.9678 0.9812 1.0006 1.0052 1.0439 1.0657 1.1934 1.2130 1.2607 1.2638 1.2658 1.2785 1.2795 1.2841 1.3743 1.3762 1.3809 1.3829 1.4015 1.4057 3.2030 3.2113 3.7430 3.7516 7.1180 7.1347 7.5864 7.5998 7.6536 7.7091 8.2739 8.3732 8.4392 8.4861 8.6786 8.7863 8.8019 8.8271 10.6039 10.6094 11.0719 11.0775 11.1288 11.1356 12.6905 12.7135 12.7571 12.7679 k = 0.0000 0.0000 0.0382 ( 4537 PWs) bands (ev): -4.7462 -4.7462 -3.6845 -3.6844 -3.3225 -3.3224 0.6279 0.6502 0.6565 0.6957 0.7381 0.7577 0.9197 0.9272 0.9455 0.9567 0.9725 0.9849 0.9999 1.0079 1.0390 1.0716 1.1877 1.2167 1.2589 1.2601 1.2665 1.2792 1.2822 1.2865 1.3728 1.3745 1.3826 1.3846 1.4001 1.4063 3.0804 3.0886 3.8884 3.8971 7.1114 7.1360 7.5825 7.6025 7.6357 7.7159 8.2418 8.3718 8.4155 8.4902 8.6529 8.7646 8.8128 8.8134 10.6425 10.6502 11.0612 11.0663 11.1463 11.1533 12.6384 12.6568 12.7652 12.7711 k = 0.0000 0.0000 0.0509 ( 4537 PWs) bands (ev): -4.7377 -4.7377 -3.7446 -3.7445 -3.2645 -3.2644 0.6216 0.6413 0.6600 0.7019 0.7346 0.7603 0.9196 0.9294 0.9416 0.9524 0.9770 0.9874 0.9993 1.0117 1.0344 1.0778 1.1818 1.2197 1.2565 1.2568 1.2672 1.2791 1.2858 1.2894 1.3712 1.3728 1.3843 1.3861 1.3985 1.4069 2.9635 2.9716 4.0373 4.0461 7.1029 7.1352 7.5785 7.6050 7.6169 7.7180 8.2117 8.3492 8.3853 8.4943 8.6282 8.7197 8.8039 8.8385 10.6928 10.7021 11.0520 11.0564 11.1649 11.1722 12.5868 12.6028 12.7755 12.7787 k = 0.0000 0.0000 0.0637 ( 4537 PWs) bands (ev): -4.7267 -4.7266 -3.8040 -3.8039 -3.2081 -3.2081 0.6149 0.6320 0.6632 0.7077 0.7311 0.7626 0.9197 0.9317 0.9380 0.9488 0.9813 0.9887 0.9986 1.0166 1.0300 1.0841 1.1757 1.2220 1.2530 1.2546 1.2677 1.2792 1.2895 1.2930 1.3697 1.3712 1.3859 1.3876 1.3968 1.4073 2.8528 2.8608 4.1893 4.1981 7.0918 7.1308 7.5741 7.5974 7.6073 7.7143 8.1855 8.3045 8.3476 8.4983 8.6050 8.6717 8.8028 8.8631 10.7516 10.7617 11.0442 11.0477 11.1845 11.1920 12.5376 12.5518 12.7875 12.7883 k = 0.0000 0.0000 0.0764 ( 4562 PWs) bands (ev): -4.7132 -4.7132 -3.8624 -3.8624 -3.1538 -3.1537 0.6077 0.6225 0.6662 0.7132 0.7276 0.7644 0.9199 0.9342 0.9347 0.9459 0.9851 0.9890 0.9980 1.0223 1.0259 1.0907 1.1694 1.2234 1.2495 1.2522 1.2682 1.2792 1.2931 1.2970 1.3682 1.3696 1.3876 1.3890 1.3950 1.4075 2.7487 2.7566 4.3439 4.3529 7.0765 7.1209 7.5695 7.5772 7.6094 7.7041 8.1651 8.2422 8.3019 8.5014 8.5833 8.6249 8.8106 8.8864 10.8156 10.8258 11.0380 11.0402 11.2048 11.2126 12.4914 12.5041 12.7985 12.8004 k = 0.0000 0.0000 0.0891 ( 4562 PWs) bands (ev): -4.6974 -4.6973 -3.9199 -3.9198 -3.1019 -3.1018 0.6002 0.6128 0.6690 0.7184 0.7242 0.7658 0.9202 0.9318 0.9369 0.9441 0.9884 0.9886 0.9975 1.0223 1.0285 1.0976 1.1630 1.2240 1.2462 1.2497 1.2687 1.2793 1.2968 1.3016 1.3667 1.3680 1.3892 1.3902 1.3931 1.4077 2.6518 2.6594 4.5010 4.5100 7.0551 7.1027 7.5568 7.5644 7.6115 7.6881 8.1514 8.1688 8.2494 8.5031 8.5635 8.5821 8.8252 8.9081 10.8822 10.8912 11.0337 11.0340 11.2255 11.2336 12.4485 12.4599 12.8078 12.8131 k = 0.0000 0.0000 0.1019 ( 4556 PWs) bands (ev): -4.6791 -4.6791 -3.9762 -3.9761 -3.0529 -3.0528 0.5926 0.6032 0.6717 0.7208 0.7233 0.7668 0.9204 0.9292 0.9398 0.9435 0.9878 0.9909 0.9970 1.0191 1.0350 1.1047 1.1566 1.2238 1.2432 1.2472 1.2693 1.2793 1.3006 1.3066 1.3652 1.3665 1.3908 1.3912 1.3912 1.4077 2.5623 2.5697 4.6600 4.6691 7.0251 7.0730 7.5366 7.5589 7.6137 7.6688 8.0911 8.1429 8.1943 8.5033 8.5439 8.5457 8.8440 8.9279 10.9488 10.9529 11.0282 11.0345 11.2463 11.2548 12.4092 12.4193 12.8149 12.8242 k = 0.0000 0.0000 0.1146 ( 4556 PWs) bands (ev): -4.6585 -4.6584 -4.0311 -4.0310 -3.0072 -3.0072 0.5848 0.5936 0.6744 0.7176 0.7279 0.7672 0.9203 0.9268 0.9427 0.9442 0.9865 0.9925 0.9967 1.0165 1.0417 1.1122 1.1502 1.2225 1.2404 1.2448 1.2699 1.2792 1.3044 1.3119 1.3637 1.3650 1.3893 1.3921 1.3924 1.4076 2.4808 2.4878 4.8206 4.8298 6.9833 7.0279 7.5176 7.5526 7.6163 7.6501 8.0146 8.1197 8.1590 8.5023 8.5097 8.5301 8.8649 8.9455 10.9957 11.0137 11.0236 11.0530 11.2667 11.2757 12.3738 12.3826 12.8184 12.8322 k = 0.0000 0.0000 0.1274 ( 4556 PWs) bands (ev): -4.6355 -4.6354 -4.0846 -4.0845 -2.9654 -2.9654 0.5772 0.5844 0.6769 0.7144 0.7322 0.7672 0.9200 0.9248 0.9457 0.9462 0.9850 0.9929 0.9965 1.0145 1.0486 1.1200 1.1436 1.2203 1.2379 1.2425 1.2705 1.2791 1.3082 1.3173 1.3620 1.3636 1.3875 1.3926 1.3939 1.4074 2.4077 2.4143 4.9825 4.9917 6.9267 6.9647 7.5008 7.5457 7.6195 7.6360 7.9439 8.0658 8.1607 8.4786 8.5003 8.5167 8.8863 8.9609 11.0065 11.0197 11.0751 11.1007 11.2862 11.2957 12.3422 12.3499 12.8175 12.8360 k = 0.0000 0.0000 0.1401 ( 4550 PWs) bands (ev): -4.6101 -4.6101 -4.1365 -4.1365 -2.9280 -2.9280 0.5699 0.5757 0.6794 0.7113 0.7363 0.7667 0.9195 0.9231 0.9488 0.9493 0.9831 0.9924 0.9965 1.0129 1.0555 1.1281 1.1371 1.2171 1.2358 1.2404 1.2712 1.2788 1.3122 1.3227 1.3602 1.3622 1.3860 1.3929 1.3954 1.4070 2.3434 2.3495 5.1451 5.1543 6.8532 6.8826 7.4873 7.5381 7.6236 7.6293 7.8816 8.0096 8.1716 8.4496 8.4976 8.5056 8.9072 8.9737 11.0077 11.0165 11.1318 11.1540 11.3041 11.3143 12.3146 12.3212 12.8121 12.8350 k = 0.0000 0.0000 0.1528 ( 4544 PWs) bands (ev): -4.5825 -4.5824 -4.1868 -4.1867 -2.8954 -2.8954 0.5632 0.5677 0.6819 0.7083 0.7402 0.7658 0.9190 0.9217 0.9520 0.9531 0.9810 0.9909 0.9967 1.0115 1.0624 1.1304 1.1365 1.2129 1.2341 1.2385 1.2719 1.2785 1.3162 1.3278 1.3582 1.3608 1.3849 1.3929 1.3968 1.4066 2.2884 2.2937 5.3081 5.3171 6.7624 6.7827 7.4780 7.5298 7.6287 7.6309 7.8290 7.9558 8.1868 8.4219 8.4944 8.4968 8.9268 8.9839 11.0074 11.0138 11.1828 11.2037 11.3197 11.3308 12.2912 12.2967 12.8031 12.8297 k = 0.0000 0.0000 0.1656 ( 4544 PWs) bands (ev): -4.5525 -4.5525 -4.2354 -4.2353 -2.8680 -2.8680 0.5573 0.5607 0.6843 0.7054 0.7438 0.7645 0.9185 0.9206 0.9552 0.9575 0.9786 0.9888 0.9972 1.0100 1.0693 1.1238 1.1451 1.2077 1.2328 1.2368 1.2727 1.2781 1.3203 1.3324 1.3559 1.3593 1.3843 1.3924 1.3981 1.4061 2.2429 2.2474 5.4708 5.4796 6.6553 6.6676 7.4729 7.5209 7.6351 7.6404 7.7858 7.9052 8.2049 8.3952 8.4901 8.4911 8.9446 8.9912 11.0069 11.0117 11.2273 11.2474 11.3322 11.3442 12.2721 12.2764 12.7921 12.8153 k = 0.0000 0.0000 0.1783 ( 4586 PWs) bands (ev): -4.5203 -4.5203 -4.2821 -4.2820 -2.8463 -2.8463 0.5524 0.5548 0.6867 0.7024 0.7471 0.7628 0.9181 0.9196 0.9583 0.9621 0.9761 0.9861 0.9979 1.0082 1.0761 1.1170 1.1538 1.2017 1.2319 1.2352 1.2733 1.2775 1.3243 1.3360 1.3537 1.3578 1.3843 1.3915 1.3993 1.4053 2.2073 2.2108 5.6328 5.6412 6.5341 6.5400 7.4718 7.5117 7.6432 7.6569 7.7507 7.8581 8.2252 8.3691 8.4854 8.4879 8.9602 8.9957 11.0065 11.0100 11.2648 11.2843 11.3406 11.3537 12.2572 12.2604 12.7810 12.7944 k = 0.0000 0.0000 0.1910 ( 4580 PWs) bands (ev): -4.4859 -4.4858 -4.3269 -4.3268 -2.8306 -2.8305 0.5489 0.5504 0.6892 0.6997 0.7503 0.7608 0.9179 0.9189 0.9614 0.9669 0.9734 0.9831 0.9991 1.0063 1.0830 1.1103 1.1626 1.1950 1.2316 1.2339 1.2741 1.2770 1.3283 1.3381 1.3521 1.3563 1.3849 1.3904 1.4006 1.4046 2.1819 2.1843 5.7934 5.8010 6.4016 6.4026 7.4740 7.5025 7.6532 7.6793 7.7223 7.8146 8.2470 8.3435 8.4825 8.4851 8.9733 8.9971 11.0064 11.0087 11.2950 11.3138 11.3441 11.3585 12.2467 12.2488 12.7717 12.7789 k = 0.0000 0.0000 0.2038 ( 4586 PWs) bands (ev): -4.4493 -4.4492 -4.3697 -4.3697 -2.8210 -2.8210 0.5468 0.5476 0.6917 0.6970 0.7533 0.7585 0.9179 0.9183 0.9645 0.9705 0.9714 0.9796 1.0005 1.0042 1.0898 1.1035 1.1712 1.1875 1.2316 1.2328 1.2749 1.2763 1.3322 1.3379 1.3520 1.3546 1.3860 1.3889 1.4017 1.4037 2.1668 2.1681 5.9517 5.9582 6.2576 6.2601 7.4788 7.4936 7.6656 7.6994 7.7068 7.7748 8.2700 8.3184 8.4813 8.4828 8.9836 8.9956 11.0066 11.0077 11.3178 11.3357 11.3420 11.3575 12.2405 12.2416 12.7659 12.7690 k = 0.0000 0.0000 0.2165 ( 4562 PWs) bands (ev): -4.4106 -4.4106 -4.4105 -4.4105 -2.8178 -2.8178 0.5464 0.5464 0.6944 0.6944 0.7561 0.7561 0.9181 0.9181 0.9676 0.9676 0.9758 0.9758 1.0023 1.0023 1.0967 1.0967 1.1796 1.1796 1.2321 1.2321 1.2756 1.2756 1.3356 1.3356 1.3531 1.3531 1.3874 1.3874 1.4028 1.4028 2.1622 2.1622 6.1068 6.1068 6.1117 6.1117 7.4855 7.4855 7.6807 7.6807 7.7388 7.7388 8.2939 8.2939 8.4815 8.4815 8.9911 8.9911 11.0070 11.0070 11.3334 11.3334 11.3501 11.3501 12.2389 12.2389 12.7647 12.7647 k = 0.0000 0.0000 0.2165 ( 4562 PWs) bands (ev): -4.4106 -4.4106 -4.4105 -4.4105 -2.8178 -2.8178 0.5464 0.5464 0.6944 0.6944 0.7561 0.7561 0.9181 0.9181 0.9676 0.9676 0.9758 0.9758 1.0023 1.0023 1.0967 1.0967 1.1796 1.1796 1.2321 1.2321 1.2756 1.2756 1.3356 1.3356 1.3531 1.3531 1.3874 1.3874 1.4028 1.4028 2.1622 2.1622 6.1068 6.1068 6.1117 6.1117 7.4855 7.4855 7.6807 7.6807 7.7388 7.7388 8.2939 8.2939 8.4815 8.4815 8.9911 8.9911 11.0070 11.0070 11.3334 11.3334 11.3501 11.3501 12.2389 12.2389 12.7647 12.7647 k = 0.0111 0.0064 0.2165 ( 4560 PWs) bands (ev): -4.4096 -4.4096 -4.4094 -4.4094 -2.8174 -2.8174 0.5464 0.5473 0.6944 0.6944 0.7551 0.7573 0.9176 0.9185 0.9675 0.9676 0.9742 0.9775 1.0004 1.0045 1.0967 1.0967 1.1780 1.1812 1.2313 1.2330 1.2757 1.2757 1.3337 1.3369 1.3519 1.3551 1.3861 1.3888 1.4030 1.4031 2.1626 2.1633 6.0973 6.1026 6.1078 6.1186 7.4720 7.4877 7.6624 7.6883 7.7363 7.7375 8.2864 8.2867 8.4731 8.4781 8.9749 8.9965 11.0158 11.0178 11.3386 11.3405 11.3563 11.3652 12.2272 12.2451 12.7620 12.7725 k = 0.0222 0.0128 0.2165 ( 4558 PWs) bands (ev): -4.4067 -4.4066 -4.4064 -4.4063 -2.8164 -2.8163 0.5471 0.5489 0.6946 0.6947 0.7542 0.7586 0.9171 0.9190 0.9670 0.9675 0.9730 0.9793 0.9989 1.0071 1.0965 1.0966 1.1763 1.1827 1.2306 1.2339 1.2758 1.2759 1.3313 1.3375 1.3514 1.3575 1.3848 1.3900 1.4037 1.4040 2.1645 2.1658 6.0781 6.0930 6.1013 6.1215 7.4480 7.4778 7.6352 7.6824 7.7277 7.7358 8.2639 8.2661 8.4529 8.4639 8.9483 8.9910 11.0438 11.0476 11.3537 11.3640 11.3792 11.4022 12.2106 12.2450 12.7650 12.7850 k = 0.0333 0.0192 0.2165 ( 4550 PWs) bands (ev): -4.4017 -4.4016 -4.4013 -4.4011 -2.8146 -2.8146 0.5486 0.5514 0.6950 0.6951 0.7535 0.7601 0.9166 0.9194 0.9658 0.9674 0.9726 0.9810 0.9978 1.0101 1.0962 1.0964 1.1745 1.1841 1.2301 1.2349 1.2761 1.2762 1.3285 1.3377 1.3515 1.3601 1.3836 1.3911 1.4046 1.4058 2.1678 2.1698 6.0519 6.0786 6.0885 6.1203 7.4140 7.4549 7.5998 7.6641 7.7129 7.7333 8.2275 8.2344 8.4216 8.4407 8.9126 8.9752 11.0895 11.0946 11.3789 11.4009 11.4184 11.4576 12.1897 12.2377 12.7745 12.8016 k = 0.0444 0.0257 0.2165 ( 4542 PWs) bands (ev): -4.3948 -4.3945 -4.3942 -4.3940 -2.8122 -2.8121 0.5509 0.5547 0.6955 0.6956 0.7530 0.7618 0.9160 0.9198 0.9643 0.9673 0.9726 0.9826 0.9969 1.0134 1.0957 1.0963 1.1727 1.1854 1.2296 1.2360 1.2763 1.2767 1.3256 1.3375 1.3521 1.3628 1.3825 1.3920 1.4059 1.4086 2.1727 2.1753 6.0184 6.0575 6.0703 6.1150 7.3707 7.4187 7.5563 7.6363 7.6934 7.7271 8.1791 8.1945 8.3806 8.4107 8.8692 8.9499 11.1500 11.1560 11.4128 11.4448 11.4758 11.5277 12.1649 12.2230 12.7900 12.8199 k = 0.0556 0.0321 0.2165 ( 4538 PWs) bands (ev): -4.3860 -4.3855 -4.3851 -4.3847 -2.8091 -2.8090 0.5538 0.5587 0.6962 0.6964 0.7526 0.7637 0.9153 0.9202 0.9625 0.9673 0.9731 0.9841 0.9963 1.0169 1.0951 1.0961 1.1708 1.1865 1.2293 1.2370 1.2767 1.2773 1.3226 1.3372 1.3529 1.3652 1.3814 1.3927 1.4075 1.4125 2.1791 2.1822 5.9773 6.0275 6.0483 6.1052 7.3185 7.3699 7.5045 7.6009 7.6704 7.7156 8.1214 8.1496 8.3316 8.3759 8.8195 8.9166 11.2215 11.2280 11.4533 11.4937 11.5472 11.6083 12.1374 12.2016 12.8086 12.8355 k = 0.0667 0.0385 0.2165 ( 4532 PWs) bands (ev): -4.3751 -4.3745 -4.3741 -4.3735 -2.8053 -2.8052 0.5573 0.5635 0.6970 0.6973 0.7524 0.7659 0.9146 0.9206 0.9607 0.9674 0.9737 0.9855 0.9960 1.0207 1.0943 1.0960 1.1689 1.1876 1.2291 1.2381 1.2771 1.2781 1.3198 1.3369 1.3539 1.3673 1.3805 1.3934 1.4093 1.4173 2.1871 2.1906 5.9285 5.9877 6.0225 6.0905 7.2575 7.3102 7.4449 7.5591 7.6442 7.6985 8.0575 8.1028 8.2766 8.3376 8.7655 8.8765 11.2985 11.3062 11.4971 11.5457 11.6272 11.6950 12.1089 12.1756 12.8233 12.8483 k = 0.0778 0.0449 0.2165 ( 4542 PWs) bands (ev): -4.3624 -4.3616 -4.3610 -4.3603 -2.8010 -2.8009 0.5613 0.5689 0.6978 0.6984 0.7524 0.7682 0.9138 0.9210 0.9589 0.9675 0.9743 0.9867 0.9959 1.0246 1.0933 1.0960 1.1670 1.1886 1.2289 1.2391 1.2775 1.2791 1.3171 1.3366 1.3550 1.3689 1.3797 1.3940 1.4115 1.4231 2.1966 2.2005 5.8718 5.9379 5.9920 6.0700 7.1878 7.2422 7.3785 7.5120 7.6138 7.6763 7.9904 8.0566 8.2176 8.2969 8.7087 8.8311 11.3736 11.3845 11.5411 11.5982 11.7112 11.7831 12.0818 12.1482 12.8270 12.8581 k = 0.0889 0.0513 0.2165 ( 4526 PWs) bands (ev): -4.3478 -4.3468 -4.3459 -4.3450 -2.7961 -2.7959 0.5658 0.5750 0.6989 0.6997 0.7525 0.7708 0.9130 0.9214 0.9573 0.9676 0.9751 0.9879 0.9962 1.0286 1.0921 1.0961 1.1651 1.1895 1.2290 1.2401 1.2779 1.2804 1.3146 1.3363 1.3562 1.3702 1.3791 1.3946 1.4139 1.4299 2.2078 2.2118 5.8071 5.8783 5.9561 6.0426 7.1096 7.1680 7.3076 7.4602 7.5781 7.6504 7.9226 8.0126 8.1562 8.2547 8.6506 8.7816 11.4376 11.4536 11.5821 11.6476 11.7948 11.8676 12.0594 12.1238 12.8208 12.8620 k = 0.1000 0.0577 0.2165 ( 4522 PWs) bands (ev): -4.3313 -4.3302 -4.3289 -4.3278 -2.7906 -2.7904 0.5706 0.5816 0.7000 0.7013 0.7528 0.7737 0.9121 0.9218 0.9558 0.9678 0.9759 0.9891 0.9966 1.0326 1.0907 1.0964 1.1632 1.1902 1.2291 1.2410 1.2784 1.2818 1.3125 1.3362 1.3574 1.3711 1.3788 1.3953 1.4167 1.4375 2.2206 2.2248 5.7347 5.8090 5.9140 6.0072 7.0243 7.0888 7.2348 7.4041 7.5366 7.6218 7.8566 7.9708 8.0943 8.2118 8.5926 8.7292 11.4804 11.5015 11.6164 11.6905 11.8733 11.9421 12.0457 12.1090 12.8140 12.8638 k = 0.1111 0.0642 0.2165 ( 4520 PWs) bands (ev): -4.3131 -4.3118 -4.3099 -4.3087 -2.7846 -2.7845 0.5757 0.5887 0.7013 0.7032 0.7532 0.7769 0.9112 0.9221 0.9545 0.9679 0.9766 0.9902 0.9973 1.0366 1.0891 1.0970 1.1613 1.1908 1.2294 1.2420 1.2789 1.2834 1.3107 1.3361 1.3586 1.3716 1.3787 1.3962 1.4199 1.4458 2.2350 2.2393 5.6547 5.7303 5.8648 5.9625 6.9341 7.0047 7.1630 7.3442 7.4896 7.5908 7.7945 7.9301 8.0335 8.1690 8.5355 8.6750 11.4948 11.5206 11.6356 11.7196 11.9376 11.9928 12.0543 12.1155 12.8203 12.8765 k = 0.1222 0.0706 0.2165 ( 4528 PWs) bands (ev): -4.2930 -4.2917 -4.2890 -4.2877 -2.7782 -2.7780 0.5809 0.5960 0.7026 0.7053 0.7537 0.7805 0.9102 0.9224 0.9534 0.9681 0.9773 0.9914 0.9980 1.0403 1.0874 1.0977 1.1594 1.1913 1.2297 1.2428 1.2793 1.2851 1.3094 1.3361 1.3597 1.3718 1.3788 1.3970 1.4235 1.4548 2.2511 2.2554 5.5676 5.6429 5.8079 5.9074 6.8413 6.9161 7.0941 7.2811 7.4382 7.5568 7.7381 7.8887 7.9756 8.1273 8.4802 8.6198 11.4822 11.5118 11.6275 11.7203 11.9736 12.0166 12.0983 12.1534 12.8487 12.9107 k = 0.1333 0.0770 0.2165 ( 4526 PWs) bands (ev): -4.2713 -4.2699 -4.2662 -4.2647 -2.7715 -2.7713 0.5862 0.6036 0.7041 0.7078 0.7544 0.7844 0.9092 0.9226 0.9525 0.9682 0.9781 0.9927 0.9990 1.0440 1.0855 1.0988 1.1577 1.1916 1.2301 1.2437 1.2796 1.2869 1.3087 1.3363 1.3607 1.3718 1.3792 1.3981 1.4276 1.4645 2.2687 2.2733 5.4740 5.5476 5.7428 5.8411 6.7478 6.8239 7.0288 7.2160 7.3833 7.5195 7.6879 7.8447 7.9224 8.0875 8.4270 8.5644 11.4490 11.4802 11.5879 11.6820 11.9927 12.0366 12.1572 12.2074 12.8982 12.9664 k = 0.1444 0.0834 0.2165 ( 4528 PWs) bands (ev): -4.2480 -4.2464 -4.2415 -4.2399 -2.7644 -2.7641 0.5914 0.6112 0.7057 0.7108 0.7552 0.7886 0.9082 0.9228 0.9518 0.9682 0.9789 0.9940 1.0000 1.0473 1.0834 1.1001 1.1560 1.1918 1.2305 1.2446 1.2799 1.2886 1.3087 1.3366 1.3617 1.3718 1.3798 1.3992 1.4322 1.4748 2.2879 2.2930 5.3745 5.4455 5.6691 5.7633 6.6545 6.7294 6.9672 7.1496 7.3259 7.4793 7.6434 7.7977 7.8747 8.0501 8.3763 8.5096 11.4013 11.4303 11.5236 11.6115 12.0092 12.0550 12.2138 12.2600 12.9593 13.0349 k = 0.1556 0.0898 0.2165 ( 4540 PWs) bands (ev): -4.2230 -4.2213 -4.2150 -4.2133 -2.7570 -2.7568 0.5965 0.6188 0.7073 0.7142 0.7561 0.7933 0.9072 0.9228 0.9513 0.9680 0.9797 0.9953 1.0012 1.0505 1.0813 1.1017 1.1544 1.1919 1.2310 1.2455 1.2801 1.2901 1.3095 1.3370 1.3625 1.3719 1.3804 1.4004 1.4374 1.4856 2.3084 2.3145 5.2699 5.3374 5.5870 5.6744 6.5617 6.6337 6.9091 7.0829 7.2668 7.4372 7.6025 7.7495 7.8318 8.0153 8.3282 8.4559 11.3416 11.3645 11.4465 11.5231 12.0208 12.0689 12.2589 12.3041 13.0192 13.1039 k = 0.1667 0.0962 0.2165 ( 4536 PWs) bands (ev): -4.1965 -4.1948 -4.1868 -4.1849 -2.7495 -2.7493 0.6014 0.6261 0.7091 0.7182 0.7571 0.7982 0.9063 0.9228 0.9511 0.9678 0.9806 0.9966 1.0025 1.0534 1.0791 1.1036 1.1529 1.1919 1.2315 1.2466 1.2802 1.2914 1.3111 1.3377 1.3632 1.3721 1.3813 1.4017 1.4433 1.4970 2.3303 2.3379 5.1609 5.2247 5.4969 5.5754 6.4693 6.5372 6.8539 7.0167 7.2067 7.3941 7.5634 7.7023 7.7926 7.9824 8.2828 8.4039 11.2665 11.2871 11.3671 11.4299 12.0242 12.0750 12.2895 12.3373 13.0703 13.1626 k = 0.1778 0.1026 0.2165 ( 4540 PWs) bands (ev): -4.1686 -4.1668 -4.1568 -4.1548 -2.7419 -2.7416 0.6060 0.6329 0.7110 0.7229 0.7582 0.8035 0.9054 0.9227 0.9511 0.9675 0.9817 0.9979 1.0038 1.0561 1.0768 1.1056 1.1517 1.1918 1.2320 1.2478 1.2803 1.2925 1.3133 1.3385 1.3637 1.3725 1.3823 1.4031 1.4499 1.5089 2.3536 2.3632 5.0486 5.1083 5.3996 5.4680 6.3765 6.4403 6.8012 6.9516 7.1464 7.3504 7.5246 7.6576 7.7567 7.9506 8.2401 8.3544 11.1720 11.2044 11.2886 11.3427 12.0182 12.0715 12.3061 12.3590 13.1108 13.2076 k = 0.1889 0.1091 0.2165 ( 4540 PWs) bands (ev): -4.1394 -4.1374 -4.1252 -4.1231 -2.7343 -2.7340 0.6104 0.6391 0.7130 0.7282 0.7594 0.8089 0.9045 0.9224 0.9514 0.9670 0.9828 0.9991 1.0054 1.0586 1.0746 1.1078 1.1507 1.1916 1.2325 1.2491 1.2802 1.2936 1.3161 1.3395 1.3641 1.3730 1.3835 1.4046 1.4574 1.5213 2.3781 2.3902 4.9335 4.9893 5.2962 5.3538 6.2826 6.3430 6.7504 6.8881 7.0864 7.3057 7.4863 7.6159 7.7239 7.9186 8.2004 8.3079 11.0682 11.1115 11.2132 11.2651 12.0031 12.0583 12.3111 12.3694 13.1401 13.2390 k = 0.2000 0.1155 0.2165 ( 4548 PWs) bands (ev): -4.1089 -4.1068 -4.0920 -4.0897 -2.7267 -2.7264 0.6144 0.6447 0.7150 0.7341 0.7607 0.8143 0.9038 0.9221 0.9518 0.9666 0.9841 1.0002 1.0071 1.0609 1.0724 1.1099 1.1499 1.1913 1.2329 1.2505 1.2801 1.2946 1.3191 1.3407 1.3644 1.3736 1.3850 1.4061 1.4658 1.5342 2.4038 2.4190 4.8167 4.8686 5.1879 5.2349 6.1872 6.2450 6.7007 6.8264 7.0271 7.2597 7.4489 7.5769 7.6941 7.8854 8.1637 8.2648 10.9624 11.0106 11.1424 11.1942 11.9799 12.0362 12.3067 12.3695 13.1574 13.2560 k = 0.2111 0.1219 0.2165 ( 4540 PWs) bands (ev): -4.0772 -4.0751 -4.0572 -4.0548 -2.7194 -2.7190 0.6180 0.6495 0.7172 0.7405 0.7621 0.8198 0.9032 0.9217 0.9524 0.9662 0.9856 1.0012 1.0090 1.0631 1.0704 1.1121 1.1494 1.1909 1.2334 1.2522 1.2801 1.2958 1.3223 1.3422 1.3648 1.3743 1.3866 1.4077 1.4751 1.5475 2.4304 2.4494 4.6987 4.7473 5.0758 5.1131 6.0898 6.1465 6.6516 6.7667 6.9688 7.2120 7.4131 7.5404 7.6667 7.8502 8.1301 8.2253 10.8581 10.9078 11.0749 11.1271 11.9501 12.0066 12.2946 12.3608 13.1625 13.2584 k = 0.2222 0.1283 0.2165 ( 4548 PWs) bands (ev): -4.0444 -4.0423 -4.0209 -4.0184 -2.7123 -2.7118 0.6214 0.6535 0.7195 0.7473 0.7637 0.8250 0.9027 0.9212 0.9530 0.9659 0.9871 1.0021 1.0112 1.0648 1.0690 1.1141 1.1493 1.1905 1.2339 1.2540 1.2802 1.2969 1.3255 1.3438 1.3651 1.3750 1.3885 1.4094 1.4854 1.5612 2.4580 2.4812 4.5804 4.6260 4.9608 4.9905 5.9904 6.0473 6.6026 6.7088 6.9116 7.1625 7.3787 7.5068 7.6410 7.8128 8.0995 8.1894 10.7575 10.8074 11.0099 11.0625 11.9152 11.9712 12.2763 12.3446 13.1565 13.2477 k = 0.2333 0.1347 0.2165 ( 4548 PWs) bands (ev): -4.0107 -4.0085 -3.9833 -3.9807 -2.7055 -2.7051 0.6244 0.6569 0.7219 0.7539 0.7657 0.8300 0.9022 0.9206 0.9536 0.9658 0.9886 1.0030 1.0135 1.0649 1.0694 1.1159 1.1495 1.1900 1.2343 1.2560 1.2803 1.2981 1.3286 1.3458 1.3655 1.3758 1.3905 1.4112 1.4967 1.5752 2.4861 2.5141 4.4623 4.5057 4.8435 4.8694 5.8890 5.9475 6.5535 6.6525 6.8557 7.1116 7.3449 7.4762 7.6161 7.7734 8.0717 8.1569 10.6623 10.7121 10.9469 11.0001 11.8765 11.9317 12.2529 12.3221 13.1412 13.2268 k = 0.2444 0.1411 0.2165 ( 4554 PWs) bands (ev): -3.9762 -3.9739 -3.9443 -3.9416 -2.6993 -2.6988 0.6271 0.6596 0.7243 0.7595 0.7689 0.8345 0.9019 0.9200 0.9542 0.9659 0.9901 1.0038 1.0162 1.0636 1.0713 1.1176 1.1501 1.1895 1.2349 1.2581 1.2807 1.2994 1.3315 1.3481 1.3660 1.3766 1.3927 1.4130 1.5090 1.5895 2.5144 2.5479 4.3450 4.3871 4.7241 4.7521 5.7859 5.8473 6.5039 6.5975 6.8011 7.0595 7.3106 7.4488 7.5911 7.7329 8.0466 8.1273 10.5734 10.6235 10.8859 10.9400 11.8352 11.8893 12.2252 12.2946 13.1190 13.1986 k = 0.2556 0.1475 0.2165 ( 4550 PWs) bands (ev): -3.9410 -3.9387 -3.9041 -3.9013 -2.6936 -2.6930 0.6295 0.6617 0.7268 0.7630 0.7741 0.8386 0.9016 0.9193 0.9547 0.9662 0.9915 1.0047 1.0194 1.0623 1.0736 1.1191 1.1511 1.1891 1.2355 1.2603 1.2812 1.3008 1.3343 1.3505 1.3667 1.3776 1.3951 1.4149 1.5224 1.6040 2.5427 2.5822 4.2291 4.2709 4.6045 4.6393 5.6816 5.7468 6.4539 6.5434 6.7478 7.0065 7.2748 7.4244 7.5651 7.6930 8.0238 8.1001 10.4917 10.5430 10.8267 10.8823 11.7925 11.8451 12.1942 12.2631 13.0920 13.1657 k = 0.2667 0.1540 0.2165 ( 4558 PWs) bands (ev): -3.9053 -3.9029 -3.8628 -3.8598 -2.6886 -2.6880 0.6317 0.6633 0.7293 0.7651 0.7804 0.8420 0.9013 0.9184 0.9554 0.9667 0.9926 1.0059 1.0229 1.0611 1.0762 1.1205 1.1524 1.1886 1.2362 1.2625 1.2819 1.3022 1.3368 1.3532 1.3674 1.3786 1.3976 1.4168 1.5366 1.6185 2.5703 2.6162 4.1151 4.1579 4.4867 4.5315 5.5765 5.6462 6.4036 6.4898 6.6961 6.9532 7.2370 7.4015 7.5375 7.6553 8.0029 8.0747 10.4178 10.4714 10.7696 10.8271 11.7490 11.8001 12.1608 12.2287 13.0619 13.1303 k = 0.2778 0.1604 0.2165 ( 4562 PWs) bands (ev): -3.8692 -3.8667 -3.8205 -3.8174 -2.6845 -2.6838 0.6337 0.6646 0.7319 0.7666 0.7868 0.8448 0.9009 0.9175 0.9563 0.9671 0.9934 1.0074 1.0268 1.0602 1.0789 1.1219 1.1539 1.1881 1.2370 1.2648 1.2829 1.3038 1.3392 1.3559 1.3683 1.3798 1.4003 1.4188 1.5516 1.6331 2.5966 2.6494 4.0035 4.0487 4.3727 4.4293 5.4709 5.5459 6.3529 6.4364 6.6459 6.8996 7.1972 7.3778 7.5087 7.6216 7.9840 8.0509 10.3520 10.4090 10.7147 10.7745 11.7055 11.7550 12.1257 12.1922 13.0303 13.0938 k = 0.2889 0.1668 0.2165 ( 4570 PWs) bands (ev): -3.8328 -3.8303 -3.7772 -3.7740 -2.6813 -2.6805 0.6354 0.6654 0.7345 0.7677 0.7930 0.8471 0.9004 0.9164 0.9575 0.9676 0.9938 1.0094 1.0311 1.0597 1.0817 1.1233 1.1556 1.1876 1.2379 1.2671 1.2842 1.3056 1.3414 1.3587 1.3693 1.3812 1.4030 1.4208 1.5673 1.6475 2.6210 2.6807 3.8948 3.9442 4.2640 4.3336 5.3655 5.4462 6.3018 6.3828 6.5974 6.8459 7.1557 7.3500 7.4810 7.5922 7.9667 8.0283 10.2945 10.3562 10.6620 10.7247 11.6626 11.7104 12.0898 12.1544 12.9982 13.0573 k = 0.3000 0.1732 0.2165 ( 4568 PWs) bands (ev): -3.7964 -3.7939 -3.7331 -3.7298 -2.6791 -2.6782 0.6370 0.6659 0.7370 0.7686 0.7987 0.8488 0.8996 0.9153 0.9589 0.9682 0.9939 1.0121 1.0355 1.0597 1.0846 1.1247 1.1575 1.1872 1.2391 1.2693 1.2858 1.3075 1.3435 1.3615 1.3705 1.3827 1.4060 1.4230 1.5834 1.6616 2.6425 2.7088 3.7896 3.8451 4.1624 4.2455 5.2605 5.3476 6.2503 6.3287 6.5507 6.7924 7.1129 7.3152 7.4575 7.5665 7.9512 8.0069 10.2455 10.3127 10.6116 10.6779 11.6207 11.6667 12.0535 12.1160 12.9664 13.0215 k = 0.3111 0.1796 0.2165 ( 4570 PWs) bands (ev): -3.7601 -3.7576 -3.6884 -3.6850 -2.6781 -2.6771 0.6385 0.6661 0.7395 0.7693 0.8038 0.8499 0.8984 0.9143 0.9603 0.9691 0.9937 1.0153 1.0398 1.0603 1.0877 1.1262 1.1593 1.1868 1.2405 1.2713 1.2877 1.3097 1.3454 1.3641 1.3719 1.3844 1.4090 1.4252 1.5998 1.6751 2.6600 2.7322 3.6885 3.7520 4.0695 4.1662 5.1566 5.2504 6.1982 6.2741 6.5059 6.7389 7.0693 7.2729 7.4394 7.5435 7.9374 7.9867 10.2046 10.2783 10.5637 10.6342 11.5802 11.6244 12.0175 12.0778 12.9355 12.9871 k = 0.3222 0.1860 0.2165 ( 4570 PWs) bands (ev): -3.7241 -3.7216 -3.6431 -3.6397 -2.6783 -2.6773 0.6397 0.6661 0.7418 0.7697 0.8082 0.8506 0.8968 0.9133 0.9612 0.9708 0.9934 1.0191 1.0438 1.0616 1.0909 1.1279 1.1612 1.1863 1.2422 1.2733 1.2897 1.3123 1.3473 1.3666 1.3735 1.3863 1.4123 1.4275 1.6161 1.6878 2.6726 2.7489 3.5923 3.6655 3.9876 4.0968 5.0541 5.1551 6.1453 6.2187 6.4631 6.6857 7.0257 7.2249 7.4257 7.5221 7.9254 7.9681 10.1714 10.2524 10.5182 10.5937 11.5415 11.5839 11.9824 12.0401 12.9060 12.9544 k = 0.3333 0.1925 0.2165 ( 4558 PWs) bands (ev): -3.6887 -3.6862 -3.5974 -3.5939 -2.6800 -2.6788 0.6409 0.6659 0.7439 0.7698 0.8121 0.8508 0.8948 0.9125 0.9614 0.9732 0.9932 1.0234 1.0474 1.0640 1.0942 1.1298 1.1630 1.1859 1.2442 1.2752 1.2920 1.3152 1.3491 1.3688 1.3755 1.3884 1.4157 1.4300 1.6321 1.6994 2.6792 2.7571 3.5018 3.5861 3.9188 4.0382 4.9535 5.0622 6.0914 6.1624 6.4224 6.6329 6.9825 7.1736 7.4146 7.5017 7.9152 7.9512 10.1454 10.2342 10.4754 10.5566 11.5049 11.5453 11.9484 12.0036 12.8782 12.9239 k = 0.3444 0.1989 0.2165 ( 4562 PWs) bands (ev): -3.6540 -3.6516 -3.5515 -3.5479 -2.6831 -2.6818 0.6419 0.6654 0.7457 0.7697 0.8155 0.8506 0.8925 0.9119 0.9612 0.9759 0.9934 1.0280 1.0505 1.0671 1.0975 1.1318 1.1647 1.1855 1.2466 1.2770 1.2943 1.3185 1.3508 1.3708 1.3776 1.3907 1.4195 1.4326 1.6473 1.7094 2.6786 2.7550 3.4181 3.5139 3.8653 3.9907 4.8553 4.9725 6.0361 6.1053 6.3841 6.5808 6.9405 7.1209 7.4049 7.4819 7.9068 7.9362 10.1258 10.2230 10.4353 10.5231 11.4706 11.5090 11.9160 11.9685 12.8526 12.8957 k = 0.3556 0.2053 0.2165 ( 4556 PWs) bands (ev): -3.6203 -3.6179 -3.5055 -3.5019 -2.6878 -2.6864 0.6428 0.6648 0.7472 0.7693 0.8183 0.8500 0.8901 0.9113 0.9608 0.9781 0.9946 1.0331 1.0532 1.0709 1.1010 1.1340 1.1662 1.1851 1.2493 1.2788 1.2967 1.3223 1.3524 1.3726 1.3800 1.3932 1.4236 1.4354 1.6613 1.7177 2.6704 2.7418 3.3423 3.4487 3.8286 3.9543 4.7602 4.8866 5.9792 6.0474 6.3481 6.5297 6.9002 7.0682 7.3957 7.4626 7.9001 7.9235 10.1116 10.2176 10.3981 10.4931 11.4388 11.4752 11.8856 11.9352 12.8293 12.8701 k = 0.3667 0.2117 0.2165 ( 4562 PWs) bands (ev): -3.5878 -3.5855 -3.4596 -3.4559 -2.6942 -2.6927 0.6435 0.6639 0.7483 0.7686 0.8207 0.8490 0.8877 0.9107 0.9603 0.9791 0.9971 1.0384 1.0557 1.0751 1.1045 1.1364 1.1675 1.1846 1.2525 1.2805 1.2990 1.3264 1.3540 1.3742 1.3825 1.3958 1.4282 1.4385 1.6737 1.7238 2.6541 2.7178 3.2753 3.3902 3.8088 3.9284 4.6689 4.8053 5.9204 5.9887 6.3146 6.4800 6.8622 7.0168 7.3866 7.4439 7.8949 7.9130 10.1020 10.2168 10.3641 10.4669 11.4097 11.4440 11.8573 11.9040 12.8086 12.8474 k = 0.3778 0.2181 0.2165 ( 4568 PWs) bands (ev): -3.5567 -3.5545 -3.4139 -3.4102 -2.7024 -2.7007 0.6440 0.6629 0.7489 0.7676 0.8227 0.8478 0.8856 0.9100 0.9598 0.9791 1.0009 1.0439 1.0582 1.0795 1.1081 1.1388 1.1685 1.1841 1.2561 1.2822 1.3012 1.3307 1.3556 1.3757 1.3852 1.3986 1.4335 1.4419 1.6840 1.7273 2.6301 2.6847 3.2182 3.3383 3.8044 3.9115 4.5822 4.7296 5.8599 5.9292 6.2838 6.4323 6.8268 6.9674 7.3774 7.4257 7.8910 7.9049 10.0958 10.2191 10.3340 10.4445 11.3835 11.4155 11.8314 11.8752 12.7908 12.8276 k = 0.3889 0.2245 0.2165 ( 4568 PWs) bands (ev): -3.5272 -3.5252 -3.3688 -3.3650 -2.7123 -2.7105 0.6445 0.6617 0.7492 0.7663 0.8244 0.8463 0.8839 0.9091 0.9595 0.9783 1.0056 1.0493 1.0607 1.0838 1.1119 1.1414 1.1693 1.1835 1.2600 1.2839 1.3035 1.3350 1.3573 1.3772 1.3879 1.4013 1.4397 1.4459 1.6918 1.7280 2.5996 2.6449 3.1714 3.2929 3.8125 3.9014 4.5015 4.6608 5.7979 5.8690 6.2556 6.3871 6.7944 6.9207 7.3681 7.4084 7.8882 7.8990 10.0922 10.2220 10.3092 10.4259 11.3601 11.3898 11.8081 11.8488 12.7760 12.8111 k = 0.4000 0.2309 0.2165 ( 4572 PWs) bands (ev): -3.4997 -3.4978 -3.3243 -3.3205 -2.7240 -2.7221 0.6448 0.6604 0.7491 0.7647 0.8258 0.8446 0.8826 0.9080 0.9594 0.9771 1.0107 1.0541 1.0637 1.0881 1.1158 1.1440 1.1698 1.1828 1.2643 1.2855 1.3059 1.3388 1.3593 1.3786 1.3908 1.4040 1.4470 1.4507 1.6967 1.7256 2.5641 2.6011 3.1350 3.2543 3.8288 3.8959 4.4284 4.6001 5.7352 5.8083 6.2303 6.3450 6.7652 6.8772 7.3588 7.3920 7.8863 7.8951 10.0904 10.2212 10.2932 10.4110 11.3396 11.3669 11.7875 11.8251 12.7643 12.7978 k = 0.4111 0.2374 0.2165 ( 4570 PWs) bands (ev): -3.4743 -3.4726 -3.2807 -3.2770 -2.7376 -2.7355 0.6451 0.6589 0.7487 0.7628 0.8270 0.8430 0.8820 0.9067 0.9594 0.9757 1.0160 1.0576 1.0677 1.0921 1.1199 1.1466 1.1700 1.1820 1.2687 1.2872 1.3085 1.3419 1.3617 1.3799 1.3938 1.4065 1.4548 1.4572 1.6983 1.7200 2.5258 2.5558 3.1084 3.2223 3.8485 3.8922 4.3656 4.5489 5.6727 5.7474 6.2078 6.3064 6.7394 6.8373 7.3497 7.3768 7.8850 7.8929 10.0896 10.2125 10.2892 10.3994 11.3221 11.3468 11.7697 11.8040 12.7561 12.7879 k = 0.4222 0.2438 0.2165 ( 4568 PWs) bands (ev): -3.4513 -3.4497 -3.2383 -3.2346 -2.7529 -2.7508 0.6452 0.6574 0.7482 0.7607 0.8280 0.8413 0.8818 0.9052 0.9596 0.9742 1.0213 1.0596 1.0727 1.0958 1.1241 1.1491 1.1699 1.1811 1.2730 1.2887 1.3114 1.3440 1.3645 1.3810 1.3970 1.4088 1.4621 1.4671 1.6963 1.7113 2.4869 2.5113 3.0909 3.1966 3.8653 3.8886 4.3167 4.5082 5.6116 5.6869 6.1883 6.2716 6.7171 6.8012 7.3411 7.3630 7.8844 7.8919 10.0896 10.1977 10.2946 10.3908 11.3075 11.3295 11.7548 11.7855 12.7514 12.7814 k = 0.4333 0.2502 0.2165 ( 4572 PWs) bands (ev): -3.4308 -3.4294 -3.1974 -3.1938 -2.7699 -2.7676 0.6454 0.6558 0.7475 0.7585 0.8288 0.8397 0.8822 0.9035 0.9599 0.9726 1.0266 1.0604 1.0781 1.0990 1.1285 1.1514 1.1696 1.1800 1.2770 1.2901 1.3147 1.3451 1.3676 1.3819 1.4002 1.4108 1.4704 1.4792 1.6902 1.7001 2.4494 2.4694 3.0813 3.1767 3.8705 3.8863 4.2858 4.4780 5.5536 5.6276 6.1718 6.2409 6.6984 6.7692 7.3331 7.3505 7.8845 7.8915 10.0901 10.1811 10.3044 10.3846 11.2956 11.3148 11.7426 11.7697 12.7502 12.7783 k = 0.4444 0.2566 0.2165 ( 4568 PWs) bands (ev): -3.4131 -3.4119 -3.1584 -3.1550 -2.7882 -2.7859 0.6455 0.6542 0.7469 0.7563 0.8295 0.8382 0.8830 0.9016 0.9603 0.9711 1.0317 1.0605 1.0833 1.1015 1.1330 1.1535 1.1692 1.1787 1.2806 1.2913 1.3184 1.3453 1.3706 1.3826 1.4034 1.4124 1.4805 1.4932 1.6793 1.6877 2.4152 2.4315 3.0785 3.1616 3.8629 3.8823 4.2755 4.4573 5.5006 5.5707 6.1584 6.2142 6.6833 6.7413 7.3262 7.3397 7.8851 7.8915 10.0910 10.1649 10.3156 10.3802 11.2863 11.3026 11.7332 11.7563 12.7525 12.7782 k = 0.4556 0.2630 0.2165 ( 4564 PWs) bands (ev): -3.3983 -3.3974 -3.1220 -3.1188 -2.8074 -2.8051 0.6456 0.6526 0.7465 0.7541 0.8302 0.8369 0.8842 0.8997 0.9609 0.9696 1.0365 1.0599 1.0882 1.1032 1.1375 1.1553 1.1687 1.1774 1.2836 1.2921 1.3224 1.3449 1.3734 1.3830 1.4064 1.4136 1.4925 1.5085 1.6639 1.6747 2.3857 2.3987 3.0810 3.1501 3.8503 3.8705 4.2840 4.4433 5.4547 5.5178 6.1482 6.1916 6.6718 6.7176 7.3203 7.3306 7.8861 7.8916 10.0925 10.1501 10.3269 10.3767 11.2794 11.2926 11.7264 11.7453 12.7577 12.7805 k = 0.4667 0.2694 0.2165 ( 4572 PWs) bands (ev): -3.3867 -3.3859 -3.0891 -3.0862 -2.8267 -2.8245 0.6459 0.6511 0.7462 0.7520 0.8308 0.8356 0.8857 0.8976 0.9616 0.9681 1.0409 1.0587 1.0926 1.1041 1.1419 1.1563 1.1684 1.1758 1.2862 1.2924 1.3265 1.3438 1.3759 1.3831 1.4090 1.4144 1.5064 1.5246 1.6464 1.6602 2.3622 2.3720 3.0873 3.1409 3.8369 3.8537 4.3053 4.4325 5.4184 5.4707 6.1413 6.1731 6.6641 6.6980 7.3158 7.3231 7.8873 7.8916 10.0948 10.1371 10.3374 10.3736 11.2747 11.2847 11.7219 11.7364 12.7653 12.7842 k = 0.4778 0.2758 0.2165 ( 4576 PWs) bands (ev): -3.3782 -3.3777 -3.0613 -3.0591 -2.8443 -2.8425 0.6463 0.6498 0.7463 0.7502 0.8314 0.8346 0.8874 0.8955 0.9624 0.9668 1.0450 1.0569 1.0963 1.1042 1.1459 1.1562 1.1686 1.1742 1.2882 1.2924 1.3304 1.3422 1.3780 1.3828 1.4111 1.4147 1.5218 1.5398 1.6296 1.6446 2.3453 2.3520 3.0961 3.1328 3.8256 3.8371 4.3327 4.4212 5.3938 5.4316 6.1377 6.1586 6.6600 6.6825 7.3128 7.3175 7.8884 7.8915 10.0981 10.1258 10.3467 10.3703 11.2719 11.2787 11.7197 11.7295 12.7739 12.7877 k = 0.4889 0.2823 0.2165 ( 4568 PWs) bands (ev): -3.3730 -3.3728 -3.0416 -3.0403 -2.8574 -2.8563 0.6468 0.6486 0.7467 0.7487 0.8321 0.8336 0.8893 0.8934 0.9634 0.9655 1.0487 1.0547 1.0994 1.1034 1.1496 1.1550 1.1696 1.1726 1.2899 1.2920 1.3341 1.3400 1.3798 1.3822 1.4128 1.4146 1.5371 1.5500 1.6180 1.6293 2.3357 2.3391 3.1059 3.1245 3.8188 3.8245 4.3609 4.4062 5.3827 5.4026 6.1375 6.1479 6.6598 6.6710 7.3114 7.3137 7.8895 7.8911 10.1027 10.1164 10.3546 10.3663 11.2711 11.2745 11.7194 11.7244 12.7818 12.7892 k = 0.5000 0.2887 0.2165 ( 4564 PWs) bands (ev): -3.3712 -3.3712 -3.0338 -3.0338 -2.8620 -2.8620 0.6476 0.6476 0.7475 0.7475 0.8328 0.8328 0.8913 0.8913 0.9644 0.9644 1.0519 1.0519 1.1018 1.1018 1.1527 1.1527 1.1710 1.1710 1.2911 1.2911 1.3373 1.3373 1.3811 1.3811 1.4140 1.4140 1.5488 1.5488 1.6181 1.6181 2.3336 2.3336 3.1155 3.1155 3.8182 3.8182 4.3861 4.3861 5.3858 5.3858 6.1409 6.1409 6.6635 6.6635 7.3117 7.3117 7.8904 7.8904 10.1088 10.1088 10.3611 10.3611 11.2719 11.2719 11.7210 11.7210 12.7873 12.7873 k = 0.5000 0.2887 0.2165 ( 4564 PWs) bands (ev): -3.3712 -3.3712 -3.0338 -3.0338 -2.8620 -2.8620 0.6476 0.6476 0.7475 0.7475 0.8328 0.8328 0.8913 0.8913 0.9644 0.9644 1.0519 1.0519 1.1018 1.1018 1.1527 1.1527 1.1710 1.1710 1.2911 1.2911 1.3373 1.3373 1.3811 1.3811 1.4140 1.4140 1.5488 1.5488 1.6181 1.6181 2.3336 2.3336 3.1155 3.1155 3.8182 3.8182 4.3861 4.3861 5.3858 5.3858 6.1409 6.1409 6.6635 6.6635 7.3117 7.3117 7.8904 7.8904 10.1088 10.1088 10.3611 10.3611 11.2719 11.2719 11.7210 11.7210 12.7873 12.7873 k = 0.4936 0.2998 0.2165 ( 4568 PWs) bands (ev): -3.3706 -3.3704 -3.0336 -3.0335 -2.8618 -2.8618 0.6464 0.6491 0.7470 0.7483 0.8305 0.8353 0.8896 0.8933 0.9632 0.9657 1.0507 1.0529 1.0997 1.1038 1.1498 1.1554 1.1690 1.1730 1.2894 1.2928 1.3349 1.3398 1.3802 1.3823 1.4119 1.4161 1.5473 1.5507 1.6164 1.6204 2.3332 2.3358 3.1135 3.1183 3.8116 3.8250 4.3847 4.3890 5.3807 5.3896 6.1256 6.1399 6.6435 6.6535 7.3077 7.3228 7.8867 7.9006 10.1039 10.1173 10.3537 10.3707 11.2781 11.2941 11.7196 11.7309 12.7827 12.7866 k = 0.4872 0.3109 0.2165 ( 4572 PWs) bands (ev): -3.3685 -3.3683 -3.0329 -3.0327 -2.8614 -2.8613 0.6456 0.6509 0.7468 0.7494 0.8283 0.8379 0.8881 0.8955 0.9621 0.9670 1.0493 1.0537 1.0974 1.1056 1.1469 1.1576 1.1672 1.1749 1.2875 1.2943 1.3326 1.3423 1.3796 1.3837 1.4100 1.4182 1.5460 1.5529 1.6152 1.6230 2.3345 2.3398 3.1122 3.1219 3.8051 3.8320 4.3848 4.3936 5.3741 5.3922 6.0950 6.1230 6.5963 6.6161 7.3097 7.3372 7.8893 7.9158 10.1047 10.1296 10.3498 10.3818 11.3106 11.3423 11.7270 11.7503 12.7729 12.7807 k = 0.4808 0.3220 0.2165 ( 4570 PWs) bands (ev): -3.3651 -3.3647 -3.0317 -3.0314 -2.8606 -2.8604 0.6450 0.6529 0.7469 0.7509 0.8264 0.8407 0.8869 0.8979 0.9612 0.9684 1.0477 1.0542 1.0950 1.1072 1.1439 1.1589 1.1662 1.1767 1.2856 1.2957 1.3304 1.3448 1.3792 1.3852 1.4081 1.4204 1.5452 1.5553 1.6144 1.6261 2.3375 2.3455 3.1115 3.1261 3.7987 3.8391 4.3863 4.3996 5.3655 5.3934 6.0508 6.0916 6.5279 6.5580 7.3126 7.3486 7.8964 7.9334 10.1145 10.1480 10.3510 10.3951 11.3632 11.4100 11.7454 11.7815 12.7594 12.7706 k = 0.4744 0.3331 0.2165 ( 4572 PWs) bands (ev): -3.3603 -3.3598 -3.0300 -3.0296 -2.8595 -2.8593 0.6447 0.6552 0.7472 0.7527 0.8246 0.8435 0.8860 0.9005 0.9604 0.9698 1.0461 1.0545 1.0926 1.1085 1.1410 1.1585 1.1666 1.1784 1.2837 1.2969 1.3283 1.3473 1.3791 1.3870 1.4064 1.4225 1.5446 1.5580 1.6143 1.6295 2.3423 2.3530 3.1113 3.1310 3.7922 3.8462 4.3893 4.4072 5.3543 5.3930 5.9954 6.0478 6.4452 6.4865 7.3106 7.3513 7.9055 7.9504 10.1362 10.1762 10.3582 10.4115 11.4273 11.4868 11.7801 11.8281 12.7441 12.7583 k = 0.4679 0.3442 0.2165 ( 4572 PWs) bands (ev): -3.3542 -3.3535 -3.0279 -3.0274 -2.8582 -2.8580 0.6448 0.6577 0.7477 0.7549 0.8231 0.8465 0.8854 0.9033 0.9597 0.9711 1.0443 1.0545 1.0901 1.1094 1.1382 1.1570 1.1679 1.1800 1.2817 1.2980 1.3264 1.3499 1.3792 1.3888 1.4049 1.4248 1.5444 1.5610 1.6146 1.6332 2.3487 2.3623 3.1115 3.1363 3.7854 3.8533 4.3935 4.4161 5.3398 5.3906 5.9314 5.9943 6.3541 6.4081 7.2985 7.3413 7.9138 7.9642 10.1718 10.2177 10.3717 10.4322 11.4934 11.5592 11.8396 11.8944 12.7302 12.7466 k = 0.4615 0.3553 0.2165 ( 4568 PWs) bands (ev): -3.3467 -3.3459 -3.0253 -3.0248 -2.8567 -2.8564 0.6450 0.6604 0.7485 0.7575 0.8217 0.8495 0.8851 0.9063 0.9593 0.9724 1.0425 1.0542 1.0876 1.1100 1.1355 1.1552 1.1694 1.1815 1.2798 1.2989 1.3247 1.3526 1.3794 1.3908 1.4037 1.4271 1.5445 1.5642 1.6154 1.6372 2.3568 2.3734 3.1118 3.1420 3.7782 3.8599 4.3988 4.4263 5.3212 5.3854 5.8614 5.9336 6.2597 6.3284 7.2729 7.3162 7.9189 7.9727 10.2209 10.2737 10.3922 10.4588 11.5548 11.6172 11.9292 11.9821 12.7214 12.7391 k = 0.4551 0.3664 0.2165 ( 4568 PWs) bands (ev): -3.3379 -3.3370 -3.0223 -3.0217 -2.8549 -2.8546 0.6455 0.6631 0.7495 0.7605 0.8205 0.8525 0.8852 0.9094 0.9590 0.9735 1.0407 1.0537 1.0852 1.1102 1.1327 1.1535 1.1708 1.1829 1.2778 1.2996 1.3233 1.3553 1.3797 1.3928 1.4027 1.4296 1.5449 1.5675 1.6167 1.6414 2.3666 2.3863 3.1120 3.1477 3.7703 3.8659 4.4050 4.4375 5.2975 5.3766 5.7877 5.8681 6.1665 6.2516 7.2321 7.2758 7.9192 7.9748 10.2799 10.3394 10.4240 10.4949 11.6092 11.6619 12.0435 12.0888 12.7214 12.7396 k = 0.4487 0.3775 0.2165 ( 4580 PWs) bands (ev): -3.3279 -3.3269 -3.0191 -3.0184 -2.8531 -2.8527 0.6462 0.6658 0.7507 0.7639 0.8195 0.8554 0.8856 0.9127 0.9589 0.9744 1.0389 1.0530 1.0828 1.1101 1.1299 1.1521 1.1718 1.1842 1.2760 1.3002 1.3220 1.3582 1.3800 1.3947 1.4020 1.4324 1.5455 1.5709 1.6185 1.6458 2.3780 2.4009 3.1118 3.1532 3.7615 3.8708 4.4120 4.4495 5.2682 5.3633 5.7121 5.7999 6.0784 6.1814 7.1759 7.2210 7.9137 7.9696 10.3405 10.3956 10.4838 10.5477 11.6575 11.6997 12.1715 12.2091 12.7342 12.7517 k = 0.4423 0.3886 0.2165 ( 4568 PWs) bands (ev): -3.3167 -3.3156 -3.0155 -3.0147 -2.8512 -2.8508 0.6470 0.6685 0.7520 0.7677 0.8187 0.8583 0.8863 0.9160 0.9591 0.9751 1.0373 1.0521 1.0805 1.1097 1.1271 1.1511 1.1726 1.1855 1.2742 1.3007 1.3209 1.3613 1.3804 1.3967 1.4017 1.4354 1.5464 1.5746 1.6206 1.6503 2.3910 2.4174 3.1108 3.1581 3.7515 3.8742 4.4194 4.4619 5.2331 5.3447 5.6362 5.7305 5.9991 6.1202 7.1054 7.1537 7.9015 7.9568 10.3925 10.4320 10.5776 10.6263 11.7017 11.7356 12.3019 12.3365 12.7641 12.7790 k = 0.4359 0.3997 0.2165 ( 4560 PWs) bands (ev): -3.3044 -3.3031 -3.0116 -3.0108 -2.8493 -2.8489 0.6480 0.6712 0.7535 0.7719 0.8182 0.8612 0.8874 0.9194 0.9595 0.9756 1.0357 1.0510 1.0782 1.1090 1.1242 1.1506 1.1731 1.1867 1.2725 1.3011 1.3200 1.3645 1.3808 1.3985 1.4016 1.4389 1.5475 1.5783 1.6230 1.6548 2.4055 2.4356 3.1087 3.1619 3.7402 3.8755 4.4271 4.4743 5.1928 5.3207 5.5614 5.6616 5.9313 6.0694 7.0229 7.0759 7.8823 7.9364 10.4326 10.4602 10.6896 10.7317 11.7427 11.7723 12.4242 12.4645 12.8158 12.8256 k = 0.4295 0.4108 0.2165 ( 4552 PWs) bands (ev): -3.2910 -3.2896 -3.0076 -3.0067 -2.8475 -2.8471 0.6490 0.6737 0.7551 0.7763 0.8178 0.8640 0.8887 0.9227 0.9601 0.9759 1.0343 1.0500 1.0760 1.1082 1.1212 1.1504 1.1733 1.1877 1.2709 1.3016 1.3193 1.3678 1.3814 1.4003 1.4018 1.4428 1.5487 1.5821 1.6256 1.6594 2.4214 2.4555 3.1050 3.1643 3.7272 3.8741 4.4346 4.4860 5.1489 5.2920 5.4890 5.5947 5.8763 6.0290 6.9306 6.9902 7.8561 7.9086 10.4648 10.4845 10.8130 10.8561 11.7813 11.8112 12.5308 12.5839 12.8918 12.8976 k = 0.4231 0.4219 0.2165 ( 4556 PWs) bands (ev): -3.2766 -3.2751 -3.0034 -3.0024 -2.8459 -2.8455 0.6501 0.6759 0.7568 0.7809 0.8178 0.8667 0.8901 0.9260 0.9608 0.9759 1.0330 1.0489 1.0738 1.1072 1.1182 1.1506 1.1734 1.1885 1.2694 1.3020 1.3186 1.3709 1.3822 1.4017 1.4027 1.4472 1.5500 1.5859 1.6283 1.6638 2.4388 2.4771 3.0993 3.1647 3.7126 3.8693 4.4418 4.4964 5.1037 5.2600 5.4206 5.5316 5.8332 5.9982 6.8311 6.8989 7.8232 7.8738 10.4925 10.5063 10.9446 10.9916 11.8185 11.8520 12.6202 12.6867 12.9876 12.9992 k = 0.4167 0.4330 0.2165 ( 4560 PWs) bands (ev): -3.2613 -3.2597 -2.9991 -2.9981 -2.8445 -2.8441 0.6512 0.6780 0.7585 0.7856 0.8181 0.8694 0.8917 0.9290 0.9617 0.9759 1.0319 1.0478 1.0717 1.1060 1.1155 1.1511 1.1732 1.1891 1.2681 1.3024 1.3181 1.3737 1.3834 1.4022 1.4046 1.4519 1.5514 1.5898 1.6310 1.6682 2.4573 2.5003 3.0912 3.1626 3.6962 3.8606 4.4481 4.5049 5.0602 5.2269 5.3580 5.4741 5.7995 5.9753 6.7268 6.8045 7.7842 7.8330 10.5174 10.5263 11.0814 11.1330 11.8555 11.8941 12.6967 12.7722 13.0989 13.1200 k = 0.4103 0.4441 0.2165 ( 4572 PWs) bands (ev): -3.2452 -3.2435 -2.9948 -2.9938 -2.8435 -2.8432 0.6523 0.6798 0.7603 0.7899 0.8190 0.8720 0.8933 0.9317 0.9625 0.9761 1.0309 1.0468 1.0695 1.1045 1.1131 1.1517 1.1730 1.1895 1.2669 1.3029 1.3176 1.3758 1.3852 1.4028 1.4073 1.4571 1.5528 1.5936 1.6337 1.6722 2.4770 2.5250 3.0804 3.1574 3.6781 3.8474 4.4532 4.5108 5.0214 5.1946 5.3034 5.4236 5.7721 5.9584 6.6200 6.7095 7.7403 7.7869 10.5402 10.5451 11.2202 11.2766 11.8931 11.9373 12.7654 12.8454 13.2137 13.2495 k = 0.4038 0.4552 0.2165 ( 4568 PWs) bands (ev): -3.2284 -3.2267 -2.9906 -2.9896 -2.8430 -2.8427 0.6533 0.6814 0.7622 0.7938 0.8206 0.8747 0.8950 0.9339 0.9632 0.9767 1.0300 1.0460 1.0675 1.1027 1.1114 1.1526 1.1727 1.1897 1.2659 1.3035 1.3172 1.3772 1.3873 1.4033 1.4109 1.4626 1.5543 1.5974 1.6361 1.6760 2.4976 2.5510 3.0667 3.1487 3.6586 3.8294 4.4566 4.5142 4.9897 5.1649 5.2590 5.3806 5.7478 5.9454 6.5126 6.6162 7.6924 7.7368 10.5602 10.5642 11.3578 11.4193 11.9320 11.9819 12.8291 12.9101 13.3210 13.3793 k = 0.3974 0.4663 0.2165 ( 4564 PWs) bands (ev): -3.2111 -3.2093 -2.9864 -2.9854 -2.8431 -2.8427 0.6544 0.6828 0.7640 0.7968 0.8232 0.8773 0.8967 0.9355 0.9634 0.9781 1.0292 1.0451 1.0655 1.1005 1.1103 1.1535 1.1723 1.1898 1.2650 1.3041 1.3169 1.3782 1.3891 1.4039 1.4156 1.4684 1.5558 1.6012 1.6382 1.6794 2.5190 2.5783 3.0500 3.1362 3.6377 3.8066 4.4580 4.5158 4.9665 5.1398 5.2256 5.3454 5.7236 5.9337 6.4073 6.5271 7.6420 7.6840 10.5776 10.5838 11.4911 11.5580 11.9731 12.0284 12.8890 12.9682 13.4146 13.5010 k = 0.3910 0.4774 0.2165 ( 4566 PWs) bands (ev): -3.1935 -3.1917 -2.9823 -2.9813 -2.8438 -2.8435 0.6553 0.6839 0.7658 0.7989 0.8267 0.8798 0.8984 0.9365 0.9632 0.9802 1.0285 1.0443 1.0636 1.0982 1.1097 1.1546 1.1719 1.1896 1.2643 1.3047 1.3167 1.3791 1.3905 1.4045 1.4215 1.4744 1.5574 1.6049 1.6399 1.6822 2.5407 2.6065 3.0304 3.1199 3.6160 3.7792 4.4576 4.5168 4.9518 5.1212 5.2027 5.3178 5.6971 5.9203 6.3072 6.4443 7.5905 7.6300 10.5938 10.6027 11.6168 11.6891 12.0175 12.0778 12.9456 13.0207 13.4905 13.6036 k = 0.3846 0.4885 0.2165 ( 4568 PWs) bands (ev): -3.1758 -3.1739 -2.9782 -2.9773 -2.8454 -2.8450 0.6562 0.6848 0.7675 0.8002 0.8310 0.8821 0.9002 0.9368 0.9627 0.9830 1.0280 1.0434 1.0618 1.0959 1.1095 1.1557 1.1715 1.1893 1.2637 1.3054 1.3165 1.3799 1.3914 1.4050 1.4285 1.4803 1.5591 1.6086 1.6410 1.6844 2.5626 2.6353 3.0083 3.1000 3.5938 3.7482 4.4562 4.5184 4.9446 5.1109 5.1888 5.2971 5.6668 5.9005 6.2168 6.3696 7.5395 7.5764 10.6093 10.6204 11.7312 11.8087 12.0670 12.1312 12.9990 13.0681 13.5442 13.6729 k = 0.3782 0.4996 0.2165 ( 4568 PWs) bands (ev): -3.1583 -3.1564 -2.9742 -2.9733 -2.8478 -2.8475 0.6571 0.6855 0.7691 0.8009 0.8356 0.8841 0.9021 0.9364 0.9619 0.9862 1.0277 1.0426 1.0601 1.0938 1.1096 1.1569 1.1711 1.1889 1.2632 1.3061 1.3163 1.3808 1.3919 1.4055 1.4364 1.4859 1.5610 1.6122 1.6415 1.6858 2.5842 2.6644 2.9843 3.0771 3.5718 3.7147 4.4557 4.5212 4.9435 5.1093 5.1818 5.2827 5.6323 5.8681 6.1430 6.3042 7.4905 7.5248 10.6240 10.6369 11.8313 11.9121 12.1239 12.1891 13.0495 13.1110 13.5717 13.6982 k = 0.3718 0.5107 0.2165 ( 4564 PWs) bands (ev): -3.1413 -3.1395 -2.9701 -2.9693 -2.8512 -2.8508 0.6578 0.6861 0.7706 0.8012 0.8403 0.8858 0.9043 0.9354 0.9609 0.9897 1.0275 1.0417 1.0585 1.0920 1.1099 1.1580 1.1707 1.1883 1.2628 1.3068 1.3162 1.3817 1.3921 1.4060 1.4448 1.4912 1.5634 1.6156 1.6413 1.6863 2.6050 2.6933 2.9592 3.0519 3.5508 3.6802 4.4574 4.5251 4.9471 5.1153 5.1801 5.2737 5.5944 5.8182 6.0915 6.2482 7.4449 7.4768 10.6378 10.6519 11.9153 11.9960 12.1886 12.2503 13.0969 13.1498 13.5735 13.6837 k = 0.3654 0.5218 0.2165 ( 4560 PWs) bands (ev): -3.1253 -3.1236 -2.9657 -2.9650 -2.8556 -2.8551 0.6585 0.6865 0.7719 0.8013 0.8447 0.8871 0.9066 0.9341 0.9599 0.9931 1.0274 1.0410 1.0570 1.0904 1.1103 1.1592 1.1704 1.1877 1.2625 1.3075 1.3161 1.3827 1.3922 1.4064 1.4535 1.4957 1.5664 1.6185 1.6408 1.6857 2.6244 2.7213 2.9342 3.0255 3.5316 3.6464 4.4626 4.5300 4.9539 5.1258 5.1829 5.2694 5.5558 5.7533 6.0605 6.2010 7.4042 7.4339 10.6503 10.6653 11.9836 12.0619 12.2569 12.3112 13.1405 13.1851 13.5557 13.6446 k = 0.3590 0.5329 0.2165 ( 4564 PWs) bands (ev): -3.1110 -3.1093 -2.9609 -2.9603 -2.8609 -2.8604 0.6590 0.6867 0.7730 0.8012 0.8486 0.8879 0.9092 0.9325 0.9587 0.9963 1.0273 1.0405 1.0557 1.0891 1.1108 1.1604 1.1700 1.1871 1.2622 1.3080 1.3161 1.3836 1.3920 1.4067 1.4620 1.4992 1.5702 1.6202 1.6405 1.6840 2.6417 2.7475 2.9105 2.9993 3.5149 3.6153 4.4713 4.5352 4.9621 5.1360 5.1907 5.2693 5.5199 5.6824 6.0434 6.1612 7.3697 7.3974 10.6614 10.6768 12.0386 12.1146 12.3202 12.3662 13.1784 13.2175 13.5279 13.5959 k = 0.3526 0.5440 0.2165 ( 4550 PWs) bands (ev): -3.0988 -3.0974 -2.9554 -2.9550 -2.8672 -2.8666 0.6595 0.6869 0.7739 0.8012 0.8519 0.8885 0.9117 0.9309 0.9576 0.9990 1.0273 1.0402 1.0545 1.0881 1.1113 1.1615 1.1697 1.1865 1.2621 1.3085 1.3161 1.3846 1.3917 1.4070 1.4698 1.5018 1.5752 1.6193 1.6418 1.6811 2.6562 2.7708 2.8897 2.9751 3.5016 3.5886 4.4831 4.5398 4.9698 5.1412 5.2047 5.2728 5.4897 5.6141 6.0345 6.1281 7.3421 7.3684 10.6706 10.6862 12.0823 12.1577 12.3711 12.4100 13.2078 13.2476 13.5000 13.5489 k = 0.3462 0.5551 0.2165 ( 4542 PWs) bands (ev): -3.0897 -3.0884 -2.9494 -2.9491 -2.8738 -2.8731 0.6598 0.6870 0.7745 0.8011 0.8543 0.8888 0.9139 0.9294 0.9567 1.0011 1.0272 1.0403 1.0536 1.0875 1.1118 1.1624 1.1694 1.1860 1.2620 1.3089 1.3162 1.3855 1.3913 1.4073 1.4761 1.5033 1.5816 1.6152 1.6453 1.6771 2.6669 2.7895 2.8734 2.9548 3.4921 3.5681 4.4965 4.5423 4.9750 5.1410 5.2229 5.2790 5.4661 5.5568 6.0305 6.1015 7.3223 7.3476 10.6777 10.6932 12.1158 12.1921 12.4052 12.4392 13.2270 13.2731 13.4799 13.5114 k = 0.3397 0.5662 0.2165 ( 4534 PWs) bands (ev): -3.0840 -3.0829 -2.9438 -2.9436 -2.8796 -2.8789 0.6600 0.6870 0.7749 0.8011 0.8559 0.8889 0.9155 0.9283 0.9560 1.0024 1.0271 1.0404 1.0530 1.0871 1.1121 1.1631 1.1691 1.1857 1.2619 1.3091 1.3162 1.3862 1.3910 1.4074 1.4803 1.5041 1.5894 1.6083 1.6500 1.6724 2.6732 2.8015 2.8630 2.9413 3.4866 3.5552 4.5094 4.5416 4.9770 5.1386 5.2409 5.2836 5.4483 5.5199 6.0297 6.0830 7.3104 7.3352 10.6821 10.6976 12.1381 12.2160 12.4223 12.4534 13.2370 13.2894 13.4711 13.4881 k = 0.3333 0.5774 0.2165 ( 4530 PWs) bands (ev): -3.0821 -3.0811 -2.9411 -2.9410 -2.8822 -2.8816 0.6601 0.6871 0.7750 0.8011 0.8564 0.8889 0.9161 0.9279 0.9557 1.0029 1.0270 1.0405 1.0529 1.0869 1.1122 1.1634 1.1690 1.1856 1.2619 1.3092 1.3162 1.3865 1.3909 1.4074 1.4817 1.5044 1.5973 1.6007 1.6529 1.6695 2.6751 2.8054 2.8596 2.9367 3.4849 3.5509 4.5160 4.5398 4.9770 5.1372 5.2510 5.2831 5.4404 5.5083 6.0297 6.0762 7.3066 7.3311 10.6836 10.6991 12.1464 12.2252 12.4266 12.4566 13.2397 13.2943 13.4700 13.4807 k = 0.3333 0.5774 0.2165 ( 4530 PWs) bands (ev): -3.0821 -3.0811 -2.9411 -2.9410 -2.8822 -2.8816 0.6601 0.6871 0.7750 0.8011 0.8564 0.8889 0.9161 0.9279 0.9557 1.0029 1.0270 1.0405 1.0529 1.0869 1.1122 1.1634 1.1690 1.1856 1.2619 1.3092 1.3162 1.3865 1.3909 1.4074 1.4817 1.5044 1.5973 1.6007 1.6529 1.6695 2.6751 2.8054 2.8596 2.9367 3.4849 3.5509 4.5160 4.5398 4.9770 5.1372 5.2510 5.2831 5.4404 5.5083 6.0297 6.0762 7.3066 7.3311 10.6836 10.6991 12.1464 12.2252 12.4266 12.4566 13.2397 13.2943 13.4700 13.4807 k = 0.3269 0.5662 0.2165 ( 4534 PWs) bands (ev): -3.0840 -3.0829 -2.9447 -2.9443 -2.8790 -2.8782 0.6600 0.6871 0.7749 0.8011 0.8559 0.8889 0.9156 0.9282 0.9560 1.0025 1.0270 1.0404 1.0530 1.0871 1.1121 1.1631 1.1691 1.1857 1.2619 1.3091 1.3162 1.3862 1.3910 1.4074 1.4804 1.5040 1.5879 1.6098 1.6492 1.6732 2.6737 2.8024 2.8629 2.9408 3.4865 3.5551 4.5080 4.5424 4.9778 5.1390 5.2369 5.2882 5.4490 5.5178 6.0305 6.0829 7.3103 7.3350 10.6820 10.6975 12.1369 12.2144 12.4243 12.4564 13.2379 13.2911 13.4710 13.4843 k = 0.3205 0.5551 0.2165 ( 4532 PWs) bands (ev): -3.0893 -3.0881 -2.9550 -2.9542 -2.8697 -2.8686 0.6598 0.6871 0.7746 0.8011 0.8544 0.8889 0.9144 0.9288 0.9569 1.0014 1.0269 1.0400 1.0535 1.0874 1.1117 1.1623 1.1693 1.1861 1.2620 1.3089 1.3161 1.3852 1.3914 1.4073 1.4770 1.5025 1.5754 1.6202 1.6423 1.6812 2.6704 2.7957 2.8724 2.9513 3.4913 3.5669 4.4890 4.5448 4.9805 5.1440 5.2079 5.2962 5.4717 5.5432 6.0363 6.1008 7.3209 7.3462 10.6771 10.6929 12.1075 12.1815 12.4200 12.4598 13.2343 13.2847 13.4739 13.4898 k = 0.3141 0.5440 0.2165 ( 4548 PWs) bands (ev): -3.0978 -3.0964 -2.9702 -2.9690 -2.8566 -2.8553 0.6594 0.6871 0.7741 0.8010 0.8520 0.8887 0.9130 0.9294 0.9583 0.9996 1.0266 1.0395 1.0542 1.0880 1.1111 1.1612 1.1695 1.1868 1.2620 1.3085 1.3159 1.3838 1.3919 1.4070 1.4721 1.4996 1.5618 1.6220 1.6429 1.6907 2.6670 2.7885 2.8874 2.9664 3.4986 3.5848 4.4652 4.5427 4.9833 5.1471 5.1834 5.3024 5.5051 5.5803 6.0503 6.1273 7.3378 7.3639 10.6688 10.6851 12.0598 12.1294 12.4160 12.4668 13.2314 13.2797 13.4766 13.4942 k = 0.3077 0.5329 0.2165 ( 4548 PWs) bands (ev): -3.1093 -3.1077 -2.9887 -2.9873 -2.8416 -2.8400 0.6590 0.6872 0.7736 0.8007 0.8488 0.8886 0.9115 0.9299 0.9601 0.9975 1.0258 1.0389 1.0550 1.0886 1.1102 1.1598 1.1696 1.1878 1.2621 1.3079 1.3157 1.3819 1.3922 1.4066 1.4663 1.4953 1.5475 1.6122 1.6545 1.7009 2.6649 2.7826 2.9074 2.9850 3.5078 3.6067 4.4405 4.5361 4.9799 5.1335 5.1836 5.3122 5.5470 5.6253 6.0738 6.1610 7.3600 7.3872 10.6572 10.6743 11.9985 12.0638 12.4121 12.4738 13.2311 13.2794 13.4777 13.4963 k = 0.3013 0.5218 0.2165 ( 4552 PWs) bands (ev): -3.1234 -3.1216 -3.0100 -3.0084 -2.8256 -2.8239 0.6584 0.6873 0.7730 0.8003 0.8451 0.8885 0.9100 0.9302 0.9622 0.9951 1.0245 1.0383 1.0557 1.0892 1.1092 1.1582 1.1695 1.1889 1.2621 1.3072 1.3153 1.3794 1.3923 1.4061 1.4598 1.4897 1.5328 1.5994 1.6684 1.7111 2.6647 2.7792 2.9321 3.0073 3.5178 3.6305 4.4181 4.5267 4.9647 5.1110 5.2023 5.3335 5.5959 5.6757 6.1063 6.2010 7.3866 7.4153 10.6427 10.6606 11.9283 11.9896 12.4066 12.4782 13.2350 13.2858 13.4766 13.4949 k = 0.2949 0.5107 0.2165 ( 4548 PWs) bands (ev): -3.1401 -3.1382 -3.0337 -3.0319 -2.8093 -2.8076 0.6577 0.6874 0.7724 0.7996 0.8409 0.8883 0.9087 0.9305 0.9645 0.9925 1.0228 1.0376 1.0562 1.0898 1.1079 1.1564 1.1693 1.1901 1.2621 1.3063 1.3148 1.3764 1.3922 1.4055 1.4531 1.4829 1.5185 1.5856 1.6826 1.7212 2.6670 2.7786 2.9614 3.0334 3.5277 3.6544 4.4008 4.5166 4.9393 5.0830 5.2348 5.3688 5.6500 5.7300 6.1468 6.2464 7.4168 7.4473 10.6255 10.6446 11.8529 11.9105 12.3981 12.4781 13.2437 13.2989 13.4732 13.4896 k = 0.2885 0.4996 0.2165 ( 4548 PWs) bands (ev): -3.1592 -3.1571 -3.0597 -3.0577 -2.7932 -2.7914 0.6568 0.6876 0.7718 0.7986 0.8366 0.8880 0.9074 0.9307 0.9668 0.9897 1.0205 1.0369 1.0567 1.0901 1.1066 1.1546 1.1688 1.1915 1.2621 1.3052 1.3141 1.3728 1.3918 1.4047 1.4463 1.4751 1.5048 1.5714 1.6964 1.7306 2.6719 2.7810 2.9954 3.0637 3.5368 3.6763 4.3900 4.5080 4.9104 5.0494 5.2796 5.4158 5.7081 5.7872 6.1942 6.2965 7.4497 7.4823 10.6063 10.6266 11.7751 11.8290 12.3863 12.4731 13.2572 13.3172 13.4683 13.4808 k = 0.2821 0.4885 0.2165 ( 4540 PWs) bands (ev): -3.1807 -3.1784 -3.0876 -3.0855 -2.7775 -2.7757 0.6560 0.6878 0.7712 0.7973 0.8323 0.8877 0.9063 0.9310 0.9691 0.9869 1.0178 1.0362 1.0569 1.0902 1.1051 1.1527 1.1682 1.1928 1.2620 1.3039 1.3133 1.3684 1.3910 1.4038 1.4399 1.4667 1.4922 1.5572 1.7093 1.7393 2.6792 2.7863 3.0338 3.0984 3.5448 3.6950 4.3854 4.5030 4.8837 5.0139 5.3341 5.4715 5.7695 5.8467 6.2472 6.3507 7.4845 7.5196 10.5856 10.6072 11.6968 11.7471 12.3710 12.4631 13.2739 13.3363 13.4637 13.4706 k = 0.2756 0.4774 0.2165 ( 4544 PWs) bands (ev): -3.2043 -3.2019 -3.1176 -3.1154 -2.7625 -2.7607 0.6550 0.6880 0.7706 0.7955 0.8283 0.8874 0.9052 0.9311 0.9714 0.9839 1.0148 1.0353 1.0569 1.0899 1.1035 1.1509 1.1674 1.1941 1.2618 1.3025 1.3123 1.3634 1.3896 1.4025 1.4338 1.4579 1.4809 1.5432 1.7208 1.7469 2.6888 2.7943 3.0767 3.1377 3.5520 3.7100 4.3840 4.5046 4.8623 4.9816 5.3958 5.5339 5.8334 5.9082 6.3048 6.4082 7.5204 7.5583 10.5642 10.5872 11.6194 11.6662 12.3526 12.4487 13.2905 13.3487 13.4547 13.4724 k = 0.2692 0.4663 0.2165 ( 4540 PWs) bands (ev): -3.2300 -3.2274 -3.1494 -3.1470 -2.7483 -2.7465 0.6540 0.6882 0.7699 0.7933 0.8246 0.8868 0.9044 0.9314 0.9735 0.9809 1.0116 1.0344 1.0569 1.0891 1.1018 1.1490 1.1664 1.1953 1.2615 1.3009 1.3111 1.3578 1.3878 1.4011 1.4284 1.4495 1.4707 1.5296 1.7303 1.7535 2.7001 2.8044 3.1238 3.1815 3.5590 3.7213 4.3804 4.5164 4.8461 4.9595 5.4627 5.6015 5.8993 5.9714 6.3663 6.4685 7.5567 7.5978 10.5428 10.5673 11.5441 11.5872 12.3315 12.4303 13.3005 13.3479 13.4462 13.4915 k = 0.2628 0.4552 0.2165 ( 4544 PWs) bands (ev): -3.2577 -3.2550 -3.1829 -3.1804 -2.7350 -2.7332 0.6530 0.6883 0.7691 0.7908 0.8214 0.8861 0.9036 0.9316 0.9751 0.9783 1.0081 1.0333 1.0566 1.0880 1.1002 1.1471 1.1653 1.1964 1.2610 1.2991 1.3097 1.3519 1.3853 1.3994 1.4234 1.4419 1.4614 1.5167 1.7374 1.7589 2.7127 2.8163 3.1749 3.2300 3.5666 3.7298 4.3716 4.5392 4.8332 4.9549 5.5339 5.6733 5.9668 6.0361 6.4306 6.5311 7.5926 7.6374 10.5224 10.5484 11.4717 11.5111 12.3081 12.4087 13.2965 13.3355 13.4467 13.5227 k = 0.2564 0.4441 0.2165 ( 4546 PWs) bands (ev): -3.2873 -3.2844 -3.2180 -3.2154 -2.7228 -2.7210 0.6520 0.6883 0.7681 0.7882 0.8187 0.8850 0.9031 0.9318 0.9741 0.9781 1.0046 1.0321 1.0563 1.0864 1.0985 1.1452 1.1640 1.1973 1.2604 1.2971 1.3081 1.3459 1.3821 1.3974 1.4192 1.4354 1.4529 1.5045 1.7414 1.7632 2.7259 2.8293 3.2296 3.2829 3.5763 3.7370 4.3588 4.5683 4.8257 4.9710 5.6083 5.7485 6.0353 6.1023 6.4973 6.5954 7.6275 7.6764 10.5037 10.5312 11.4031 11.4385 12.2828 12.3845 13.2774 13.3148 13.4574 13.5591 k = 0.2500 0.4330 0.2165 ( 4546 PWs) bands (ev): -3.3186 -3.3156 -3.2546 -3.2519 -2.7117 -2.7100 0.6509 0.6882 0.7667 0.7857 0.8165 0.8838 0.9027 0.9320 0.9714 0.9797 1.0011 1.0308 1.0559 1.0843 1.0968 1.1434 1.1626 1.1980 1.2596 1.2949 1.3063 1.3402 1.3783 1.3953 1.4155 1.4301 1.4450 1.4932 1.7422 1.7662 2.7388 2.8426 3.2872 3.3401 3.5890 3.7443 4.3457 4.5951 4.8321 5.0051 5.6854 5.8265 6.1044 6.1698 6.5657 6.6610 7.6609 7.7142 10.4876 10.5168 11.3389 11.3702 12.2561 12.3582 13.2487 13.2877 13.4724 13.5954 k = 0.2436 0.4219 0.2165 ( 4546 PWs) bands (ev): -3.3514 -3.3484 -3.2925 -3.2898 -2.7017 -2.7001 0.6499 0.6881 0.7648 0.7835 0.8148 0.8822 0.9025 0.9322 0.9686 0.9812 0.9976 1.0293 1.0555 1.0819 1.0952 1.1416 1.1611 1.1985 1.2586 1.2924 1.3044 1.3352 1.3740 1.3930 1.4123 1.4256 1.4377 1.4828 1.7400 1.7677 2.7507 2.8554 3.3471 3.4015 3.6062 3.7535 4.3358 4.6123 4.8609 5.0533 5.7645 5.9067 6.1739 6.2388 6.6351 6.7273 7.6920 7.7504 10.4748 10.5057 11.2797 11.3067 12.2282 12.3302 13.2147 13.2562 13.4854 13.6272 k = 0.2372 0.4108 0.2165 ( 4554 PWs) bands (ev): -3.3858 -3.3826 -3.3316 -3.3288 -2.6930 -2.6914 0.6488 0.6878 0.7623 0.7817 0.8135 0.8803 0.9023 0.9324 0.9659 0.9826 0.9943 1.0278 1.0550 1.0791 1.0936 1.1397 1.1594 1.1988 1.2575 1.2897 1.3024 1.3308 1.3694 1.3907 1.4096 1.4219 1.4308 1.4733 1.7348 1.7673 2.7608 2.8666 3.4081 3.4667 3.6287 3.7664 4.3324 4.6206 4.9121 5.1126 5.8451 5.9887 6.2435 6.3093 6.7052 6.7940 7.7205 7.7846 10.4661 10.4987 11.2261 11.2487 12.1995 12.3011 13.1777 13.2219 13.4920 13.6502 k = 0.2308 0.3997 0.2165 ( 4560 PWs) bands (ev): -3.4214 -3.4182 -3.3717 -3.3688 -2.6855 -2.6840 0.6477 0.6873 0.7595 0.7803 0.8126 0.8781 0.9022 0.9324 0.9634 0.9836 0.9914 1.0262 1.0544 1.0760 1.0920 1.1379 1.1577 1.1989 1.2562 1.2867 1.3004 1.3271 1.3647 1.3882 1.4072 1.4186 1.4243 1.4647 1.7270 1.7648 2.7681 2.8751 3.4689 3.5352 3.6575 3.7857 4.3377 4.6262 4.9799 5.1808 5.9266 6.0719 6.3128 6.3813 6.7751 6.8605 7.7459 7.8163 10.4620 10.4965 11.1787 11.1966 12.1703 12.2711 13.1388 13.1860 13.4898 13.6608 k = 0.2244 0.3886 0.2165 ( 4556 PWs) bands (ev): -3.4582 -3.4549 -3.4127 -3.4098 -2.6793 -2.6778 0.6467 0.6868 0.7563 0.7792 0.8119 0.8757 0.9022 0.9322 0.9611 0.9840 0.9893 1.0246 1.0537 1.0729 1.0904 1.1361 1.1559 1.1988 1.2547 1.2837 1.2986 1.3241 1.3601 1.3857 1.4049 1.4157 1.4183 1.4570 1.7169 1.7602 2.7722 2.8799 3.5283 3.6050 3.6937 3.8146 4.3531 4.6348 5.0586 5.2562 6.0087 6.1557 6.3819 6.4549 6.8445 6.9264 7.7679 7.8453 10.4629 10.4994 11.1379 11.1511 12.1409 12.2408 13.0989 13.1492 13.4781 13.6565 k = 0.2179 0.3775 0.2165 ( 4562 PWs) bands (ev): -3.4959 -3.4926 -3.4543 -3.4514 -2.6743 -2.6730 0.6456 0.6860 0.7530 0.7782 0.8114 0.8731 0.9022 0.9318 0.9592 0.9831 0.9886 1.0230 1.0527 1.0698 1.0887 1.1345 1.1540 1.1986 1.2532 1.2806 1.2969 1.3215 1.3558 1.3832 1.4028 1.4126 1.4130 1.4502 1.7048 1.7536 2.7723 2.8798 3.5859 3.6717 3.7409 3.8562 4.3793 4.6499 5.1449 5.3376 6.0907 6.2394 6.4510 6.5299 6.9126 6.9914 7.7864 7.8716 10.4694 10.5079 11.1038 11.1132 12.1116 12.2103 13.0585 13.1120 13.4573 13.6374 k = 0.2115 0.3664 0.2165 ( 4554 PWs) bands (ev): -3.5345 -3.5311 -3.4966 -3.4936 -2.6706 -2.6693 0.6445 0.6851 0.7496 0.7771 0.8110 0.8704 0.9022 0.9310 0.9577 0.9814 0.9889 1.0213 1.0513 1.0671 1.0870 1.1330 1.1521 1.1982 1.2516 1.2777 1.2954 1.3193 1.3518 1.3806 1.4005 1.4075 1.4105 1.4443 1.6909 1.7452 2.7682 2.8742 3.6421 3.7288 3.8048 3.9116 4.4165 4.6735 5.2366 5.4239 6.1722 6.3222 6.5205 6.6064 6.9788 7.0551 7.8014 7.8953 10.4815 10.5221 11.0758 11.0844 12.0827 12.1802 13.0177 13.0747 13.4289 13.6055 k = 0.2051 0.3553 0.2165 ( 4550 PWs) bands (ev): -3.5737 -3.5703 -3.5392 -3.5363 -2.6681 -2.6668 0.6434 0.6841 0.7464 0.7761 0.8105 0.8674 0.9022 0.9298 0.9566 0.9798 0.9894 1.0196 1.0494 1.0648 1.0852 1.1316 1.1501 1.1978 1.2500 1.2750 1.2940 1.3173 1.3482 1.3780 1.3979 1.4030 1.4081 1.4390 1.6755 1.7350 2.7597 2.8625 3.6985 3.7798 3.8829 3.9793 4.4643 4.7063 5.3326 5.5144 6.2527 6.4030 6.5910 6.6841 7.0424 7.1172 7.8129 7.9165 10.4994 10.5421 11.0538 11.0657 12.0546 12.1506 12.9768 13.0376 13.3944 13.5638 k = 0.1987 0.3442 0.2165 ( 4550 PWs) bands (ev): -3.6133 -3.6100 -3.5821 -3.5791 -2.6667 -2.6655 0.6422 0.6829 0.7432 0.7749 0.8097 0.8644 0.9022 0.9282 0.9559 0.9784 0.9899 1.0179 1.0467 1.0633 1.0832 1.1306 1.1481 1.1973 1.2483 1.2724 1.2926 1.3154 1.3449 1.3753 1.3945 1.3997 1.4058 1.4343 1.6592 1.7235 2.7471 2.8451 3.7567 3.8321 3.9688 4.0569 4.5220 4.7487 5.4319 5.6084 6.3315 6.4806 6.6633 6.7629 7.1028 7.1773 7.8213 7.9355 10.5231 10.5678 11.0392 11.0566 12.0276 12.1219 12.9358 13.0005 13.3555 13.5155 k = 0.1923 0.3331 0.2165 ( 4550 PWs) bands (ev): -3.6533 -3.6500 -3.6250 -3.6221 -2.6665 -2.6654 0.6410 0.6816 0.7402 0.7737 0.8083 0.8614 0.9023 0.9264 0.9554 0.9774 0.9902 1.0161 1.0435 1.0624 1.0811 1.1298 1.1461 1.1968 1.2468 1.2699 1.2914 1.3135 1.3420 1.3726 1.3905 1.3972 1.4035 1.4302 1.6421 1.7107 2.7305 2.8224 3.8180 3.8892 4.0594 4.1421 4.5888 4.8006 5.5339 5.7053 6.4082 6.5540 6.7383 6.8426 7.1592 7.2353 7.8271 7.9529 10.5526 10.5990 11.0328 11.0566 12.0018 12.0944 12.8946 12.9636 13.3134 13.4628 k = 0.1859 0.3220 0.2165 ( 4558 PWs) bands (ev): -3.6935 -3.6902 -3.6678 -3.6650 -2.6673 -2.6663 0.6396 0.6801 0.7373 0.7723 0.8063 0.8584 0.9023 0.9244 0.9552 0.9767 0.9903 1.0142 1.0400 1.0620 1.0790 1.1292 1.1442 1.1963 1.2452 1.2676 1.2903 1.3117 1.3395 1.3698 1.3866 1.3951 1.4014 1.4265 1.6245 1.6970 2.7105 2.7952 3.8836 3.9523 4.1533 4.2330 4.6641 4.8617 5.6379 5.8045 6.4823 6.6225 6.8162 6.9227 7.2116 7.2908 7.8308 7.9690 10.5877 10.6356 11.0352 11.0655 11.9776 12.0682 12.8532 12.9266 13.2689 13.4074 k = 0.1795 0.3109 0.2165 ( 4562 PWs) bands (ev): -3.7336 -3.7303 -3.7105 -3.7077 -2.6692 -2.6682 0.6382 0.6784 0.7346 0.7709 0.8034 0.8554 0.9024 0.9226 0.9551 0.9763 0.9901 1.0122 1.0363 1.0619 1.0769 1.1287 1.1423 1.1958 1.2438 1.2653 1.2894 1.3097 1.3372 1.3671 1.3828 1.3931 1.3993 1.4231 1.6069 1.6826 2.6874 2.7644 3.9540 4.0214 4.2500 4.3286 4.7470 4.9316 5.7435 5.9055 6.5533 6.6859 6.8967 7.0027 7.2600 7.3432 7.8333 7.9845 10.6286 10.6772 11.0463 11.0829 11.9551 12.0437 12.8115 12.8892 13.2225 13.3505 k = 0.1731 0.2998 0.2165 ( 4562 PWs) bands (ev): -3.7736 -3.7704 -3.7528 -3.7500 -2.6719 -2.6711 0.6367 0.6767 0.7319 0.7695 0.7995 0.8524 0.9023 0.9210 0.9551 0.9760 0.9897 1.0102 1.0326 1.0621 1.0749 1.1283 1.1407 1.1953 1.2425 1.2632 1.2885 1.3078 1.3352 1.3643 1.3794 1.3911 1.3973 1.4202 1.5895 1.6677 2.6620 2.7310 4.0294 4.0962 4.3488 4.4279 4.8368 5.0095 5.8503 6.0078 6.6210 6.7446 6.9791 7.0815 7.3054 7.3922 7.8356 7.9999 10.6751 10.7238 11.0661 11.1085 11.9346 12.0208 12.7692 12.8512 13.1746 13.2929 k = 0.1667 0.2887 0.2165 ( 4552 PWs) bands (ev): -3.8133 -3.8101 -3.7946 -3.7918 -2.6756 -2.6748 0.6351 0.6747 0.7294 0.7680 0.7947 0.8495 0.9022 0.9199 0.9551 0.9758 0.9891 1.0083 1.0291 1.0623 1.0732 1.1278 1.1395 1.1949 1.2412 1.2611 1.2878 1.3058 1.3334 1.3615 1.3764 1.3892 1.3955 1.4175 1.5725 1.6525 2.6347 2.6959 4.1097 4.1763 4.4495 4.5302 4.9330 5.0948 5.9577 6.1109 6.6851 6.7992 7.0618 7.1573 7.3497 7.4371 7.8387 8.0156 10.7274 10.7754 11.0940 11.1414 11.9161 11.9997 12.7264 12.8123 13.1253 13.2353 k = 0.1603 0.2776 0.2165 ( 4544 PWs) bands (ev): -3.8525 -3.8494 -3.8357 -3.8331 -2.6800 -2.6793 0.6333 0.6726 0.7270 0.7664 0.7890 0.8464 0.9021 0.9192 0.9550 0.9755 0.9882 1.0065 1.0259 1.0625 1.0719 1.1268 1.1388 1.1946 1.2401 1.2591 1.2872 1.3038 1.3317 1.3587 1.3739 1.3872 1.3937 1.4150 1.5561 1.6371 2.6061 2.6597 4.1947 4.2614 4.5515 4.6347 5.0349 5.1869 6.0655 6.2144 6.7455 6.8504 7.1425 7.2280 7.3965 7.4776 7.8438 8.0319 10.7855 10.8321 11.1292 11.1809 11.8997 11.9804 12.6830 12.7722 13.0753 13.1785 k = 0.1538 0.2665 0.2165 ( 4540 PWs) bands (ev): -3.8912 -3.8881 -3.8762 -3.8736 -2.6852 -2.6845 0.6313 0.6701 0.7247 0.7646 0.7828 0.8430 0.9019 0.9190 0.9548 0.9751 0.9872 1.0048 1.0228 1.0623 1.0713 1.1253 1.1388 1.1943 1.2391 1.2571 1.2867 1.3018 1.3301 1.3559 1.3717 1.3853 1.3920 1.4128 1.5405 1.6218 2.5768 2.6232 4.2839 4.3509 4.6544 4.7410 5.1421 5.2852 6.1730 6.3175 6.8021 6.8990 7.2169 7.2924 7.4498 7.5142 7.8522 8.0492 10.8495 10.8940 11.1709 11.2259 11.8854 11.9628 12.6388 12.7306 13.0252 13.1233 k = 0.1474 0.2554 0.2165 ( 4542 PWs) bands (ev): -3.9291 -3.9262 -3.9157 -3.9132 -2.6910 -2.6904 0.6291 0.6674 0.7225 0.7625 0.7764 0.8393 0.9017 0.9192 0.9545 0.9744 0.9862 1.0033 1.0200 1.0618 1.0713 1.1232 1.1394 1.1941 1.2382 1.2553 1.2864 1.2998 1.3283 1.3530 1.3700 1.3833 1.3904 1.4107 1.5258 1.6066 2.5470 2.5868 4.3770 4.4444 4.7577 4.8483 5.2539 5.3889 6.2798 6.4197 6.8550 6.9457 7.2772 7.3541 7.5113 7.5485 7.8647 8.0678 10.9192 10.9615 11.2177 11.2753 11.8732 11.9468 12.5939 12.6874 12.9759 13.0708 k = 0.1410 0.2443 0.2165 ( 4554 PWs) bands (ev): -3.9662 -3.9634 -3.9544 -3.9519 -2.6973 -2.6967 0.6267 0.6642 0.7204 0.7594 0.7705 0.8351 0.9016 0.9197 0.9539 0.9736 0.9853 1.0020 1.0174 1.0609 1.0719 1.1208 1.1403 1.1939 1.2373 1.2535 1.2861 1.2978 1.3264 1.3502 1.3687 1.3813 1.3889 1.4088 1.5121 1.5915 2.5172 2.5510 4.4734 4.5414 4.8610 4.9561 5.3699 5.4977 6.3853 6.5201 6.9046 6.9912 7.3196 7.4151 7.5755 7.5881 7.8819 8.0879 10.9944 11.0347 11.2686 11.3281 11.8627 11.9321 12.5481 12.6422 12.9284 13.0221 k = 0.1346 0.2332 0.2165 ( 4550 PWs) bands (ev): -4.0024 -3.9997 -3.9919 -3.9895 -2.7041 -2.7036 0.6240 0.6606 0.7183 0.7547 0.7663 0.8305 0.9017 0.9203 0.9532 0.9728 0.9845 1.0009 1.0149 1.0599 1.0729 1.1182 1.1416 1.1938 1.2365 1.2519 1.2860 1.2959 1.3244 1.3477 1.3678 1.3794 1.3875 1.4071 1.4994 1.5768 2.4878 2.5161 4.5725 4.6415 4.9637 5.0636 5.4897 5.6107 6.4887 6.6179 6.9514 7.0366 7.3495 7.4675 7.6251 7.6532 7.9041 8.1099 11.0746 11.1136 11.3225 11.3832 11.8538 11.9184 12.5010 12.5949 12.8838 12.9784 k = 0.1282 0.2221 0.2165 ( 4550 PWs) bands (ev): -4.0376 -4.0349 -4.0282 -4.0260 -2.7112 -2.7108 0.6210 0.6565 0.7164 0.7486 0.7636 0.8255 0.9021 0.9210 0.9524 0.9721 0.9838 1.0000 1.0126 1.0587 1.0743 1.1154 1.1430 1.1936 1.2357 1.2504 1.2859 1.2941 1.3222 1.3453 1.3671 1.3776 1.3862 1.4056 1.4878 1.5624 2.4590 2.4825 4.6739 4.7441 5.0650 5.1701 5.6128 5.7275 6.5892 6.7119 6.9963 7.0828 7.3733 7.5041 7.6813 7.7240 7.9312 8.1345 11.1592 11.1980 11.3781 11.4396 11.8461 11.9054 12.4524 12.5452 12.8432 12.9405 k = 0.1218 0.2110 0.2165 ( 4550 PWs) bands (ev): -4.0716 -4.0690 -4.0634 -4.0612 -2.7186 -2.7182 0.6177 0.6517 0.7145 0.7421 0.7617 0.8202 0.9026 0.9217 0.9515 0.9716 0.9830 0.9991 1.0104 1.0575 1.0758 1.1126 1.1446 1.1935 1.2350 1.2491 1.2859 1.2923 1.3199 1.3432 1.3667 1.3759 1.3850 1.4041 1.4773 1.5485 2.4310 2.4502 4.7769 4.8486 5.1645 5.2747 5.7386 5.8475 6.6856 6.8005 7.0405 7.1312 7.3949 7.5278 7.7433 7.7952 7.9629 8.1629 11.2471 11.2873 11.4347 11.4964 11.8391 11.8927 12.4017 12.4926 12.8078 12.9094 k = 0.1154 0.1999 0.2165 ( 4542 PWs) bands (ev): -4.1043 -4.1019 -4.0971 -4.0951 -2.7262 -2.7259 0.6141 0.6464 0.7126 0.7357 0.7602 0.8147 0.9032 0.9223 0.9507 0.9713 0.9822 0.9982 1.0084 1.0562 1.0774 1.1098 1.1463 1.1934 1.2342 1.2480 1.2860 1.2907 1.3175 1.3414 1.3664 1.3743 1.3838 1.4028 1.4677 1.5349 2.4040 2.4195 4.8810 4.9543 5.2613 5.3765 5.8667 5.9700 6.7762 6.8826 7.0854 7.1834 7.4169 7.5448 7.8018 7.8684 7.9981 8.1967 11.3367 11.3805 11.4917 11.5528 11.8327 11.8802 12.3486 12.4371 12.7785 12.8856 k = 0.1090 0.1887 0.2165 ( 4538 PWs) bands (ev): -4.1357 -4.1334 -4.1295 -4.1275 -2.7340 -2.7336 0.6101 0.6403 0.7109 0.7297 0.7589 0.8092 0.9040 0.9228 0.9501 0.9712 0.9814 0.9973 1.0065 1.0548 1.0791 1.1071 1.1480 1.1933 1.2335 1.2470 1.2859 1.2893 1.3151 1.3400 1.3660 1.3730 1.3828 1.4016 1.4592 1.5219 2.3781 2.3905 4.9853 5.0606 5.3547 5.4744 5.9966 6.0945 6.8590 6.9573 7.1322 7.2410 7.4410 7.5598 7.8512 7.9451 8.0347 8.2375 11.4254 11.4752 11.5490 11.6079 11.8267 11.8683 12.2928 12.3782 12.7559 12.8690 k = 0.1026 0.1776 0.2165 ( 4546 PWs) bands (ev): -4.1658 -4.1636 -4.1603 -4.1585 -2.7417 -2.7414 0.6058 0.6337 0.7092 0.7243 0.7578 0.8037 0.9049 0.9231 0.9497 0.9711 0.9805 0.9964 1.0046 1.0531 1.0808 1.1045 1.1498 1.1931 1.2328 1.2461 1.2855 1.2881 1.3128 1.3387 1.3656 1.3720 1.3818 1.4005 1.4515 1.5093 2.3535 2.3633 5.0892 5.1667 5.4441 5.5675 6.1275 6.2202 6.9315 7.0258 7.1816 7.3045 7.4687 7.5760 7.8920 8.0232 8.0709 8.2860 11.5087 11.5671 11.6079 11.6602 11.8216 11.8598 12.2344 12.3160 12.7397 12.8588 k = 0.0962 0.1665 0.2165 ( 4544 PWs) bands (ev): -4.1943 -4.1923 -4.1896 -4.1879 -2.7494 -2.7491 0.6012 0.6266 0.7076 0.7195 0.7567 0.7985 0.9059 0.9232 0.9497 0.9710 0.9796 0.9954 1.0030 1.0512 1.0825 1.1022 1.1516 1.1929 1.2321 1.2453 1.2848 1.2873 1.3109 1.3378 1.3649 1.3714 1.3810 1.3995 1.4447 1.4972 2.3302 2.3380 5.1920 5.2716 5.5287 5.6548 6.2588 6.3463 6.9930 7.0896 7.2335 7.3722 7.5012 7.5959 7.9269 8.0906 8.1157 8.3418 11.5795 11.6440 11.6716 11.7070 11.8205 11.8619 12.1741 12.2507 12.7287 12.8528 k = 0.0897 0.1554 0.2165 ( 4544 PWs) bands (ev): -4.2213 -4.2194 -4.2173 -4.2156 -2.7570 -2.7567 0.5963 0.6191 0.7060 0.7153 0.7558 0.7934 0.9069 0.9232 0.9500 0.9709 0.9786 0.9945 1.0015 1.0489 1.0842 1.1002 1.1535 1.1927 1.2314 1.2446 1.2838 1.2866 1.3095 1.3371 1.3639 1.3711 1.3802 1.3986 1.4386 1.4857 2.3082 2.3145 5.2927 5.3744 5.6078 5.7352 6.3896 6.4720 7.0453 7.1496 7.2874 7.4398 7.5401 7.6225 7.9583 8.1252 8.1898 8.4026 11.6301 11.6907 11.7293 11.7440 11.8383 11.8841 12.1148 12.1838 12.7205 12.8455 k = 0.0833 0.1443 0.2165 ( 4532 PWs) bands (ev): -4.2467 -4.2449 -4.2432 -4.2417 -2.7644 -2.7641 0.5913 0.6115 0.7046 0.7117 0.7550 0.7888 0.9080 0.9231 0.9506 0.9707 0.9778 0.9935 1.0002 1.0462 1.0859 1.0986 1.1553 1.1924 1.2308 1.2440 1.2828 1.2859 1.3088 1.3366 1.3628 1.3712 1.3796 1.3978 1.4332 1.4748 2.2876 2.2929 5.3906 5.4741 5.6811 5.8079 6.5190 6.5962 7.0922 7.2059 7.3419 7.4996 7.5886 7.6593 7.9882 8.1524 8.2684 8.4665 11.6531 11.7044 11.7479 11.7886 11.8855 11.9151 12.0661 12.1204 12.7115 12.8265 k = 0.0769 0.1332 0.2165 ( 4530 PWs) bands (ev): -4.2704 -4.2688 -4.2675 -4.2661 -2.7715 -2.7713 0.5860 0.6037 0.7032 0.7086 0.7542 0.7845 0.9091 0.9229 0.9514 0.9704 0.9770 0.9924 0.9990 1.0432 1.0875 1.0974 1.1573 1.1920 1.2302 1.2433 1.2817 1.2849 1.3088 1.3363 1.3616 1.3713 1.3790 1.3970 1.4285 1.4644 2.2685 2.2733 5.4848 5.5694 5.7480 5.8724 6.6457 6.7176 7.1371 7.2593 7.3955 7.5456 7.6484 7.7085 8.0183 8.1778 8.3463 8.5313 11.6474 11.6875 11.7616 11.8246 11.9063 11.9378 12.0372 12.0856 12.7009 12.7893 k = 0.0705 0.1221 0.2165 ( 4526 PWs) bands (ev): -4.2924 -4.2909 -4.2900 -4.2887 -2.7783 -2.7781 0.5808 0.5961 0.7019 0.7060 0.7536 0.7805 0.9101 0.9226 0.9525 0.9701 0.9763 0.9914 0.9980 1.0399 1.0890 1.0965 1.1592 1.1915 1.2298 1.2426 1.2808 1.2837 1.3095 1.3361 1.3603 1.3714 1.3787 1.3963 1.4242 1.4547 2.2509 2.2554 5.5743 5.6593 5.8084 5.9285 6.7682 6.8350 7.1826 7.3106 7.4470 7.5803 7.7153 7.7688 8.0503 8.2029 8.4224 8.5957 11.6226 11.6533 11.7554 11.8306 11.8835 11.9519 12.0206 12.0944 12.6950 12.7536 k = 0.0641 0.1110 0.2165 ( 4536 PWs) bands (ev): -4.3127 -4.3113 -4.3106 -4.3095 -2.7847 -2.7845 0.5756 0.5887 0.7007 0.7036 0.7531 0.7769 0.9111 0.9222 0.9538 0.9696 0.9756 0.9903 0.9971 1.0362 1.0903 1.0959 1.1611 1.1909 1.2294 1.2418 1.2799 1.2824 1.3108 1.3360 1.3589 1.3713 1.3785 1.3956 1.4205 1.4457 2.2349 2.2392 5.6585 5.7427 5.8622 5.9761 6.8849 6.9466 7.2305 7.3608 7.4957 7.6093 7.7849 7.8354 8.0859 8.2285 8.4964 8.6585 11.5836 11.6073 11.7103 11.7914 11.8713 11.9521 12.0203 12.0996 12.7034 12.7447 k = 0.0577 0.0999 0.2165 ( 4540 PWs) bands (ev): -4.3311 -4.3299 -4.3294 -4.3284 -2.7906 -2.7905 0.5705 0.5816 0.6996 0.7017 0.7527 0.7737 0.9120 0.9218 0.9552 0.9691 0.9750 0.9892 0.9965 1.0324 1.0916 1.0956 1.1630 1.1903 1.2291 1.2409 1.2791 1.2811 1.3125 1.3361 1.3576 1.3709 1.3786 1.3950 1.4172 1.4373 2.2205 2.2247 5.7365 5.8185 5.9097 6.0157 6.9936 7.0509 7.2819 7.4103 7.5410 7.6352 7.8558 7.9031 8.1266 8.2554 8.5679 8.7187 11.5303 11.5486 11.6490 11.7295 11.8470 11.9298 12.0276 12.1021 12.7269 12.7650 k = 0.0513 0.0888 0.2165 ( 4534 PWs) bands (ev): -4.3476 -4.3467 -4.3462 -4.3454 -2.7961 -2.7959 0.5657 0.5750 0.6985 0.7000 0.7525 0.7708 0.9130 0.9214 0.9569 0.9686 0.9744 0.9880 0.9961 1.0285 1.0927 1.0955 1.1650 1.1895 1.2290 1.2400 1.2784 1.2799 1.3147 1.3363 1.3564 1.3701 1.3790 1.3944 1.4143 1.4298 2.2077 2.2118 5.8078 5.8859 5.9511 6.0478 7.0922 7.1463 7.3372 7.4590 7.5822 7.6589 7.9270 7.9683 8.1732 8.2840 8.6363 8.7755 11.4629 11.4759 11.5907 11.6655 11.7911 11.8722 12.0469 12.1191 12.7571 12.7958 k = 0.0449 0.0777 0.2165 ( 4530 PWs) bands (ev): -4.3623 -4.3615 -4.3612 -4.3605 -2.8010 -2.8009 0.5613 0.5689 0.6976 0.6986 0.7524 0.7682 0.9138 0.9210 0.9587 0.9682 0.9739 0.9868 0.9959 1.0246 1.0937 1.0956 1.1670 1.1886 1.2290 1.2391 1.2778 1.2788 1.3171 1.3366 1.3551 1.3689 1.3797 1.3938 1.4117 1.4230 2.1966 2.2004 5.8718 5.9443 5.9867 6.0730 7.1791 7.2318 7.3952 7.5066 7.6187 7.6805 7.9970 8.0297 8.2249 8.3147 8.7012 8.8279 11.3850 11.3939 11.5390 11.6052 11.7138 11.7915 12.0746 12.1464 12.7812 12.8192 k = 0.0385 0.0666 0.2165 ( 4536 PWs) bands (ev): -4.3751 -4.3745 -4.3741 -4.3737 -2.8054 -2.8053 0.5572 0.5635 0.6968 0.6974 0.7524 0.7659 0.9146 0.9206 0.9605 0.9679 0.9733 0.9855 0.9960 1.0207 1.0946 1.0957 1.1689 1.1876 1.2291 1.2380 1.2773 1.2779 1.3198 1.3369 1.3540 1.3672 1.3805 1.3933 1.4095 1.4172 2.1870 2.1905 5.9283 5.9934 6.0172 6.0923 7.2538 7.3063 7.4534 7.5523 7.6501 7.6993 8.0643 8.0874 8.2791 8.3469 8.7622 8.8751 11.3028 11.3099 11.4916 11.5491 11.6292 11.7018 12.1055 12.1755 12.7920 12.8297 k = 0.0321 0.0555 0.2165 ( 4530 PWs) bands (ev): -4.3860 -4.3855 -4.3852 -4.3848 -2.8091 -2.8090 0.5538 0.5587 0.6961 0.6965 0.7526 0.7638 0.9153 0.9202 0.9624 0.9676 0.9729 0.9842 0.9963 1.0169 1.0953 1.0960 1.1708 1.1866 1.2293 1.2370 1.2768 1.2772 1.3227 1.3373 1.3530 1.3652 1.3814 1.3927 1.4076 1.4124 2.1791 2.1822 5.9771 6.0330 6.0430 6.1062 7.3172 7.3689 7.5086 7.5948 7.6766 7.7144 8.1268 8.1412 8.3322 8.3800 8.8183 8.9161 11.2227 11.2292 11.4480 11.4970 11.5466 11.6126 12.1361 12.2020 12.7906 12.8293 k = 0.0256 0.0444 0.2165 ( 4540 PWs) bands (ev): -4.3948 -4.3946 -4.3942 -4.3940 -2.8122 -2.8121 0.5509 0.5547 0.6955 0.6957 0.7530 0.7619 0.9160 0.9198 0.9642 0.9675 0.9726 0.9827 0.9969 1.0134 1.0958 1.0962 1.1727 1.1854 1.2296 1.2360 1.2764 1.2766 1.3256 1.3375 1.3521 1.3628 1.3825 1.3920 1.4060 1.4086 2.1727 2.1753 6.0182 6.0619 6.0660 6.1154 7.3704 7.4187 7.5581 7.6322 7.6985 7.7251 8.1825 8.1904 8.3807 8.4121 8.8689 8.9499 11.1502 11.1562 11.4091 11.4497 11.4725 11.5299 12.1645 12.2233 12.7824 12.8205 k = 0.0192 0.0333 0.2165 ( 4552 PWs) bands (ev): -4.4018 -4.4016 -4.4013 -4.4012 -2.8146 -2.8146 0.5486 0.5514 0.6950 0.6951 0.7535 0.7601 0.9166 0.9194 0.9658 0.9674 0.9725 0.9810 0.9978 1.0101 1.0962 1.0964 1.1745 1.1840 1.2301 1.2349 1.2761 1.2762 1.3285 1.3377 1.3515 1.3601 1.3836 1.3911 1.4047 1.4058 2.1678 2.1698 6.0518 6.0801 6.0871 6.1205 7.4140 7.4550 7.6005 7.6623 7.7160 7.7316 8.2292 8.2327 8.4217 8.4411 8.9126 8.9752 11.0894 11.0946 11.3767 11.4071 11.4131 11.4585 12.1896 12.2378 12.7723 12.8029 k = 0.0128 0.0222 0.2165 ( 4556 PWs) bands (ev): -4.4067 -4.4066 -4.4064 -4.4063 -2.8164 -2.8163 0.5471 0.5489 0.6946 0.6947 0.7542 0.7586 0.9171 0.9190 0.9670 0.9675 0.9730 0.9793 0.9989 1.0071 1.0965 1.0966 1.1763 1.1827 1.2306 1.2339 1.2758 1.2759 1.3313 1.3375 1.3514 1.3575 1.3849 1.3900 1.4037 1.4040 2.1645 2.1658 6.0781 6.0934 6.1010 6.1216 7.4480 7.4778 7.6354 7.6821 7.7289 7.7349 8.2645 8.2656 8.4530 8.4639 8.9484 8.9910 11.0438 11.0476 11.3527 11.3659 11.3778 11.4024 12.2106 12.2450 12.7647 12.7852 k = 0.0064 0.0111 0.2165 ( 4562 PWs) bands (ev): -4.4096 -4.4096 -4.4094 -4.4094 -2.8174 -2.8174 0.5464 0.5472 0.6944 0.6944 0.7551 0.7573 0.9176 0.9185 0.9675 0.9676 0.9742 0.9775 1.0004 1.0045 1.0967 1.0967 1.1780 1.1812 1.2313 1.2330 1.2757 1.2757 1.3337 1.3369 1.3519 1.3550 1.3861 1.3888 1.4030 1.4031 2.1626 2.1633 6.0973 6.1026 6.1078 6.1186 7.4721 7.4877 7.6624 7.6883 7.7365 7.7373 8.2865 8.2866 8.4731 8.4781 8.9749 8.9965 11.0158 11.0178 11.3384 11.3407 11.3562 11.3653 12.2272 12.2451 12.7620 12.7725 k = 0.0000 0.0000 0.2165 ( 4562 PWs) bands (ev): -4.4106 -4.4106 -4.4105 -4.4105 -2.8178 -2.8178 0.5464 0.5464 0.6944 0.6944 0.7561 0.7561 0.9181 0.9181 0.9676 0.9676 0.9758 0.9758 1.0023 1.0023 1.0967 1.0967 1.1796 1.1796 1.2321 1.2321 1.2756 1.2756 1.3356 1.3356 1.3531 1.3531 1.3874 1.3874 1.4028 1.4028 2.1622 2.1622 6.1068 6.1068 6.1117 6.1117 7.4855 7.4855 7.6807 7.6807 7.7388 7.7388 8.2939 8.2939 8.4815 8.4815 8.9911 8.9911 11.0070 11.0070 11.3334 11.3334 11.3501 11.3501 12.2389 12.2389 12.7647 12.7647 k = 0.5000 0.2887 0.2165 ( 4564 PWs) bands (ev): -3.3712 -3.3712 -3.0338 -3.0338 -2.8620 -2.8620 0.6476 0.6476 0.7475 0.7475 0.8328 0.8328 0.8913 0.8913 0.9644 0.9644 1.0519 1.0519 1.1018 1.1018 1.1527 1.1527 1.1710 1.1710 1.2911 1.2911 1.3373 1.3373 1.3811 1.3811 1.4140 1.4140 1.5488 1.5488 1.6181 1.6181 2.3336 2.3336 3.1155 3.1155 3.8182 3.8182 4.3861 4.3861 5.3858 5.3858 6.1409 6.1409 6.6635 6.6635 7.3117 7.3117 7.8904 7.8904 10.1088 10.1088 10.3611 10.3611 11.2719 11.2719 11.7210 11.7210 12.7873 12.7873 k = 0.5000 0.2887 0.2038 ( 4558 PWs) bands (ev): -3.3711 -3.3710 -3.0355 -3.0349 -2.8609 -2.8604 0.6456 0.6501 0.7453 0.7498 0.8309 0.8346 0.8902 0.8923 0.9627 0.9663 1.0468 1.0565 1.0978 1.1058 1.1456 1.1564 1.1692 1.1759 1.2897 1.2928 1.3364 1.3383 1.3799 1.3823 1.4134 1.4147 1.5441 1.5507 1.6155 1.6251 2.3339 2.3364 3.1028 3.1122 3.7987 3.8441 4.3600 4.4112 5.3866 5.4035 6.1329 6.1484 6.6604 6.6686 7.3064 7.3144 7.8789 7.8868 10.1024 10.1219 10.3525 10.3557 11.2683 11.2754 11.7107 11.7297 12.7642 12.7781 k = 0.5000 0.2887 0.1910 ( 4560 PWs) bands (ev): -3.3708 -3.3705 -3.0398 -3.0385 -2.8572 -2.8562 0.6442 0.6530 0.7432 0.7522 0.8289 0.8362 0.8891 0.8932 0.9613 0.9684 1.0414 1.0602 1.0939 1.1094 1.1378 1.1539 1.1730 1.1815 1.2884 1.2945 1.3355 1.3393 1.3784 1.3833 1.4128 1.4154 1.5379 1.5490 1.6181 1.6351 2.3372 2.3422 3.0761 3.0931 3.7849 3.8716 4.3373 4.4356 5.4057 5.4380 6.1244 6.1554 6.6595 6.6757 7.2981 7.3144 7.8533 7.8684 10.1002 10.1422 10.3321 10.3356 11.2656 11.2787 11.6989 11.7339 12.7307 12.7497 k = 0.5000 0.2887 0.1783 ( 4558 PWs) bands (ev): -3.3702 -3.3697 -3.0462 -3.0444 -2.8514 -2.8500 0.6433 0.6563 0.7411 0.7546 0.8267 0.8376 0.8879 0.8941 0.9601 0.9706 1.0357 1.0625 1.0907 1.1122 1.1304 1.1489 1.1786 1.1875 1.2875 1.2964 1.3346 1.3404 1.3769 1.3841 1.4123 1.4162 1.5312 1.5444 1.6251 1.6469 2.3435 2.3511 3.0390 3.0611 3.7722 3.8905 4.3276 4.4633 5.4409 5.4860 6.1155 6.1621 6.6610 6.6843 7.2861 7.3112 7.8159 7.8371 10.0959 10.1685 10.2952 10.3118 11.2648 11.2824 11.6843 11.7305 12.7114 12.7288 k = 0.5000 0.2887 0.1656 ( 4568 PWs) bands (ev): -3.3693 -3.3687 -3.0541 -3.0521 -2.8439 -2.8423 0.6428 0.6600 0.7389 0.7572 0.8243 0.8387 0.8868 0.8951 0.9592 0.9729 1.0299 1.0626 1.0887 1.1126 1.1252 1.1434 1.1839 1.1937 1.2868 1.2982 1.3336 1.3415 1.3752 1.3847 1.4119 1.4168 1.5245 1.5382 1.6352 1.6598 2.3527 2.3629 2.9952 3.0200 3.7549 3.8888 4.3423 4.4990 5.4885 5.5441 6.1063 6.1685 6.6649 6.6941 7.2691 7.3039 7.7703 7.7961 10.0783 10.1946 10.2457 10.2965 11.2647 11.2856 11.6678 11.7196 12.7160 12.7301 k = 0.5000 0.2887 0.1528 ( 4576 PWs) bands (ev): -3.3681 -3.3674 -3.0632 -3.0609 -2.8354 -2.8336 0.6429 0.6641 0.7368 0.7599 0.8217 0.8394 0.8857 0.8963 0.9586 0.9751 1.0239 1.0605 1.0875 1.1088 1.1243 1.1380 1.1888 1.1998 1.2865 1.3000 1.3326 1.3428 1.3735 1.3852 1.4115 1.4174 1.5181 1.5314 1.6473 1.6735 2.3645 2.3775 2.9478 2.9737 3.7290 3.8621 4.3857 4.5463 5.5444 5.6086 6.0971 6.1748 6.6712 6.7044 7.2453 7.2909 7.7210 7.7497 10.0375 10.1595 10.2457 10.2993 11.2608 11.2841 11.6550 11.7074 12.7406 12.7600 k = 0.5000 0.2887 0.1401 ( 4576 PWs) bands (ev): -3.3667 -3.3659 -3.0729 -3.0704 -2.8262 -2.8243 0.6435 0.6684 0.7347 0.7626 0.8190 0.8397 0.8850 0.8980 0.9583 0.9772 1.0180 1.0568 1.0859 1.1037 1.1258 1.1333 1.1933 1.2055 1.2865 1.3017 1.3315 1.3441 1.3718 1.3854 1.4113 1.4180 1.5123 1.5246 1.6606 1.6876 2.3788 2.3948 2.8992 2.9256 3.6931 3.8153 4.4531 4.6067 5.6044 5.6762 6.0880 6.1811 6.6800 6.7143 7.2128 7.2698 7.6729 7.7033 9.9741 10.0784 10.2812 10.3200 11.2470 11.2713 11.6548 11.7035 12.7784 12.8129 k = 0.5000 0.2887 0.1274 ( 4570 PWs) bands (ev): -3.3651 -3.3643 -3.0828 -3.0802 -2.8167 -2.8149 0.6447 0.6728 0.7327 0.7654 0.8160 0.8395 0.8846 0.9001 0.9583 0.9790 1.0121 1.0521 1.0825 1.0995 1.1270 1.1303 1.1974 1.2108 1.2868 1.3034 1.3305 1.3455 1.3701 1.3856 1.4111 1.4184 1.5069 1.5181 1.6747 1.7018 2.3950 2.4143 2.8516 2.8782 3.6483 3.7558 4.5369 4.6792 5.6647 5.7436 6.0794 6.1875 6.6911 6.7224 7.1704 7.2387 7.6313 7.6622 9.8955 9.9857 10.3202 10.3523 11.2195 11.2427 11.6731 11.7149 12.8204 12.8746 k = 0.5000 0.2887 0.1146 ( 4556 PWs) bands (ev): -3.3634 -3.3624 -3.0926 -3.0901 -2.8074 -2.8056 0.6464 0.6773 0.7307 0.7680 0.8129 0.8388 0.8846 0.9028 0.9587 0.9803 1.0065 1.0468 1.0774 1.0958 1.1263 1.1308 1.2013 1.2155 1.2875 1.3051 1.3296 1.3468 1.3685 1.3855 1.4110 1.4186 1.5021 1.5121 1.6892 1.7158 2.4124 2.4355 2.8066 2.8339 3.5965 3.6894 4.6315 4.7621 5.7216 5.8076 6.0719 6.1936 6.7039 6.7266 7.1190 7.1977 7.5995 7.6301 9.8076 9.8863 10.3607 10.3911 11.1796 11.2003 11.7078 11.7418 12.8518 12.9242 k = 0.5000 0.2887 0.1019 ( 4556 PWs) bands (ev): -3.3615 -3.3605 -3.1020 -3.0996 -2.7984 -2.7968 0.6485 0.6815 0.7291 0.7703 0.8098 0.8375 0.8852 0.9058 0.9593 0.9807 1.0014 1.0412 1.0717 1.0917 1.1259 1.1324 1.2049 1.2195 1.2885 1.3065 1.3288 1.3479 1.3672 1.3853 1.4109 1.4187 1.4979 1.5066 1.7038 1.7293 2.4300 2.4573 2.7660 2.7950 3.5403 3.6199 4.7333 4.8532 5.7721 5.8646 6.0662 6.1991 6.7148 6.7263 7.0624 7.1504 7.5789 7.6083 9.7151 9.7836 10.4020 10.4330 11.1319 11.1498 11.7520 11.7789 12.8611 12.9383 k = 0.5000 0.2887 0.0891 ( 4556 PWs) bands (ev): -3.3596 -3.3586 -3.1109 -3.1086 -2.7901 -2.7885 0.6511 0.6851 0.7280 0.7720 0.8072 0.8358 0.8865 0.9092 0.9602 0.9800 0.9973 1.0354 1.0662 1.0869 1.1266 1.1339 1.2084 1.2227 1.2897 1.3077 1.3282 1.3487 1.3663 1.3849 1.4109 1.4186 1.4943 1.5017 1.7181 1.7421 2.4462 2.4779 2.7320 2.7637 3.4819 3.5498 4.8398 4.9505 5.8132 5.9111 6.0629 6.2030 6.7043 6.7344 7.0066 7.1046 7.5683 7.5961 9.6217 9.6808 10.4439 10.4761 11.0808 11.0968 11.7978 11.8195 12.8532 12.9221 k = 0.5000 0.2887 0.0764 ( 4558 PWs) bands (ev): -3.3576 -3.3567 -3.1191 -3.1170 -2.7825 -2.7811 0.6540 0.6877 0.7278 0.7726 0.8053 0.8336 0.8883 0.9125 0.9612 0.9781 0.9945 1.0296 1.0615 1.0817 1.1280 1.1352 1.2116 1.2252 1.2911 1.3084 1.3281 1.3489 1.3660 1.3842 1.4109 1.4183 1.4912 1.4974 1.7319 1.7539 2.4590 2.4942 2.7080 2.7423 3.4234 3.4811 4.9492 5.0520 5.8420 5.9446 6.0609 6.2045 6.6757 6.7402 6.9603 7.0684 7.5658 7.5917 9.5308 9.5811 10.4857 10.5191 11.0296 11.0450 11.8390 11.8568 12.8426 12.8996 k = 0.5000 0.2887 0.0637 ( 4556 PWs) bands (ev): -3.3558 -3.3549 -3.1263 -3.1244 -2.7758 -2.7746 0.6574 0.6889 0.7289 0.7717 0.8047 0.8311 0.8909 0.9154 0.9622 0.9758 0.9925 1.0237 1.0577 1.0764 1.1296 1.1361 1.2146 1.2270 1.2928 1.3086 1.3286 1.3483 1.3664 1.3833 1.4111 1.4179 1.4887 1.4937 1.7449 1.7642 2.4669 2.5025 2.6973 2.7321 3.3668 3.4154 5.0597 5.1558 5.8558 5.9667 6.0554 6.2023 6.6377 6.7311 6.9338 7.0454 7.5695 7.5929 9.4457 9.4876 10.5267 10.5609 10.9803 10.9966 11.8713 11.8861 12.8397 12.8849 k = 0.5000 0.2887 0.0509 ( 4564 PWs) bands (ev): -3.3541 -3.3533 -3.1324 -3.1308 -2.7701 -2.7691 0.6610 0.6886 0.7314 0.7693 0.8053 0.8283 0.8940 0.9174 0.9627 0.9743 0.9910 1.0178 1.0550 1.0713 1.1313 1.1368 1.2174 1.2280 1.2946 1.3082 1.3297 1.3471 1.3674 1.3821 1.4114 1.4172 1.4867 1.4907 1.7567 1.7729 2.4696 2.5013 2.7010 2.7328 3.3144 3.3544 5.1695 5.2595 5.8536 5.9777 6.0432 6.1940 6.6007 6.7044 6.9313 7.0329 7.5776 7.5978 9.3699 9.4036 10.5664 10.6005 10.9347 10.9526 11.8931 11.9050 12.8477 12.8818 k = 0.5000 0.2887 0.0382 ( 4546 PWs) bands (ev): -3.3526 -3.3520 -3.1372 -3.1360 -2.7656 -2.7648 0.6649 0.6869 0.7353 0.7656 0.8071 0.8254 0.8978 0.9180 0.9631 0.9738 0.9901 1.0121 1.0536 1.0666 1.1330 1.1373 1.2201 1.2284 1.2966 1.3073 1.3314 1.3453 1.3691 1.3806 1.4119 1.4165 1.4853 1.4882 1.7669 1.7796 2.4687 2.4934 2.7153 2.7411 3.2690 3.3003 5.2761 5.3597 5.8367 5.9636 6.0376 6.1768 6.5748 6.6694 6.9442 7.0256 7.5879 7.6041 9.3069 9.3323 10.6040 10.6365 10.8942 10.9135 11.9055 11.9145 12.8644 12.8883 k = 0.5000 0.2887 0.0255 ( 4538 PWs) bands (ev): -3.3515 -3.3511 -3.1407 -3.1399 -2.7622 -2.7617 0.6689 0.6842 0.7399 0.7610 0.8097 0.8223 0.9019 0.9169 0.9641 0.9731 0.9905 1.0066 1.0534 1.0625 1.1344 1.1373 1.2224 1.2282 1.2986 1.3060 1.3335 1.3432 1.3710 1.3790 1.4125 1.4157 1.4845 1.4864 1.7752 1.7839 2.4668 2.4835 2.7336 2.7518 3.2338 3.2558 5.3757 5.4493 5.8106 5.9175 6.0494 6.1512 6.5648 6.6354 6.9629 7.0190 7.5985 7.6098 9.2601 9.2771 10.6383 10.6661 10.8610 10.8797 11.9112 11.9173 12.8841 12.8992 k = 0.5000 0.2887 0.0127 ( 4538 PWs) bands (ev): -3.3507 -3.3505 -3.1428 -3.1423 -2.7602 -2.7599 0.6730 0.6808 0.7451 0.7559 0.8126 0.8190 0.9063 0.9142 0.9661 0.9712 0.9928 1.0014 1.0543 1.0590 1.1356 1.1371 1.2245 1.2274 1.3006 1.3043 1.3358 1.3408 1.3730 1.3771 1.4132 1.4149 1.4841 1.4851 1.7812 1.7856 2.4664 2.4747 2.7498 2.7593 3.2127 3.2243 5.4609 5.5111 5.7906 5.8579 6.0692 6.1218 6.5690 6.6063 6.9817 7.0102 7.6071 7.6129 9.2323 9.2409 10.6669 10.6844 10.8399 10.8527 11.9136 11.9167 12.9005 12.9077 k = 0.5000 0.2887-0.0000 ( 4546 PWs) bands (ev): -3.3504 -3.3504 -3.1433 -3.1433 -2.7594 -2.7594 0.6770 0.6770 0.7505 0.7505 0.8158 0.8158 0.9105 0.9105 0.9686 0.9686 0.9966 0.9966 1.0562 1.0562 1.1365 1.1365 1.2261 1.2261 1.3025 1.3025 1.3383 1.3383 1.3751 1.3751 1.4140 1.4140 1.4843 1.4843 1.7847 1.7847 2.4688 2.4688 2.7591 2.7591 3.2093 3.2093 5.5153 5.5153 5.8061 5.8061 6.0937 6.0937 6.5837 6.5837 6.9979 6.9979 7.6122 7.6122 9.2257 9.2257 10.6846 10.6846 10.8372 10.8372 11.9152 11.9152 12.9089 12.9089 k = 0.3333 0.5774-0.0000 ( 4554 PWs) bands (ev): -3.0752 -3.0743 -2.9928 -2.9908 -2.8377 -2.8370 0.6551 0.7191 0.7535 0.7820 0.8362 0.8943 0.9097 0.9522 0.9737 0.9986 1.0034 1.0231 1.0478 1.0979 1.1214 1.1744 1.1897 1.1924 1.2489 1.2923 1.3004 1.3827 1.3871 1.4192 1.4937 1.5056 1.5175 1.5570 1.7775 1.8230 2.6941 2.8150 3.1307 3.2597 3.3469 3.4734 4.0449 4.1294 4.3225 4.3571 4.7034 4.8119 6.6755 6.7920 6.8181 6.8264 7.7068 7.8906 10.2983 10.3026 10.3039 10.3455 10.6502 10.7250 14.6548 14.7371 14.7794 14.9594 k = 0.3333 0.5774 0.0127 ( 4548 PWs) bands (ev): -3.0796 -3.0788 -2.9863 -2.9843 -2.8396 -2.8389 0.6601 0.7207 0.7480 0.7843 0.8347 0.8939 0.9080 0.9512 0.9744 0.9984 1.0047 1.0243 1.0482 1.0997 1.1193 1.1729 1.1889 1.1923 1.2466 1.2935 1.3027 1.3830 1.3873 1.4188 1.4959 1.5035 1.5137 1.5606 1.7775 1.8218 2.6587 2.7823 3.1236 3.2414 3.3965 3.5289 4.0862 4.1739 4.3415 4.3964 4.6417 4.7497 6.5789 6.6822 6.8209 6.8423 7.7884 7.9747 10.2916 10.3116 10.4139 10.4350 10.5563 10.6314 14.5960 14.7319 14.7645 14.9384 k = 0.3333 0.5774 0.0255 ( 4554 PWs) bands (ev): -3.0835 -3.0827 -2.9797 -2.9778 -2.8421 -2.8414 0.6656 0.7212 0.7425 0.7878 0.8328 0.8937 0.9061 0.9496 0.9749 0.9989 1.0058 1.0257 1.0489 1.1015 1.1168 1.1712 1.1879 1.1918 1.2448 1.2949 1.3048 1.3833 1.3876 1.4182 1.4984 1.5014 1.5104 1.5645 1.7754 1.8186 2.6276 2.7535 3.1107 3.2180 3.4465 3.5857 4.1329 4.2258 4.3652 4.4440 4.5899 4.6921 6.4698 6.5659 6.8133 6.8412 7.8565 8.0434 10.3013 10.3311 10.4716 10.5451 10.5522 10.5547 14.5211 14.7098 14.7210 14.9097 k = 0.3333 0.5774 0.0382 ( 4554 PWs) bands (ev): -3.0869 -3.0861 -2.9730 -2.9712 -2.8453 -2.8445 0.6716 0.7206 0.7372 0.7925 0.8309 0.8937 0.9038 0.9476 0.9750 1.0001 1.0067 1.0275 1.0500 1.1032 1.1139 1.1693 1.1867 1.1911 1.2436 1.2965 1.3070 1.3837 1.3880 1.4174 1.4994 1.5012 1.5074 1.5686 1.7713 1.8136 2.6011 2.7288 3.0932 3.1913 3.4957 3.6427 4.1844 4.2841 4.3828 4.4989 4.5588 4.6403 6.3543 6.4448 6.7913 6.8234 7.9085 8.0939 10.3317 10.3710 10.4176 10.4978 10.6756 10.6805 14.4335 14.6267 14.7022 14.8701 k = 0.3333 0.5774 0.0509 ( 4548 PWs) bands (ev): -3.0897 -3.0890 -2.9663 -2.9646 -2.8490 -2.8482 0.6780 0.7191 0.7319 0.7983 0.8287 0.8939 0.9013 0.9453 0.9748 1.0019 1.0072 1.0296 1.0517 1.1048 1.1106 1.1675 1.1853 1.1901 1.2428 1.2983 1.3090 1.3840 1.3885 1.4166 1.4974 1.5044 1.5050 1.5731 1.7651 1.8069 2.5793 2.7086 3.0724 3.1627 3.5426 3.6979 4.2403 4.3478 4.3792 4.5601 4.5638 4.5958 6.2348 6.3205 6.7553 6.7901 7.9425 8.1236 10.3769 10.3829 10.4313 10.4673 10.8173 10.8173 14.3362 14.5258 14.6723 14.8150 k = 0.3333 0.5774 0.0637 ( 4551 PWs) bands (ev): -3.0920 -3.0914 -2.9596 -2.9580 -2.8532 -2.8525 0.6848 0.7166 0.7269 0.8050 0.8265 0.8943 0.8986 0.9428 0.9744 1.0040 1.0075 1.0319 1.0538 1.1061 1.1068 1.1656 1.1837 1.1889 1.2424 1.3003 1.3108 1.3843 1.3891 1.4155 1.4955 1.5029 1.5081 1.5779 1.7569 1.7985 2.5623 2.6927 3.0494 3.1335 3.5856 3.7488 4.3002 4.3585 4.4159 4.5603 4.6022 4.6266 6.1130 6.1944 6.7065 6.7428 7.9573 8.1313 10.3709 10.4091 10.4900 10.5107 10.9611 10.9661 14.2318 14.4137 14.6268 14.7398 k = 0.3333 0.5774 0.0764 ( 4563 PWs) bands (ev): -3.0937 -3.0932 -2.9529 -2.9513 -2.8581 -2.8574 0.6918 0.7134 0.7219 0.8124 0.8241 0.8949 0.8956 0.9401 0.9737 1.0065 1.0074 1.0345 1.0563 1.1025 1.1073 1.1638 1.1820 1.1877 1.2425 1.3023 1.3124 1.3846 1.3899 1.4143 1.4936 1.5013 1.5121 1.5830 1.7469 1.7887 2.5501 2.6814 3.0254 3.1046 3.6223 3.7912 4.3388 4.3634 4.4877 4.5357 4.6584 4.6976 5.9902 6.0677 6.6468 6.6837 7.9530 8.1174 10.3807 10.4219 10.5698 10.6074 11.1104 11.1205 14.1224 14.2945 14.5610 14.6419 k = 0.3333 0.5774 0.0891 ( 4569 PWs) bands (ev): -3.0949 -3.0946 -2.9462 -2.9447 -2.8635 -2.8628 0.6992 0.7096 0.7173 0.8203 0.8218 0.8925 0.8958 0.9375 0.9727 1.0071 1.0091 1.0373 1.0592 1.0976 1.1082 1.1622 1.1802 1.1865 1.2430 1.3045 1.3138 1.3849 1.3909 1.4129 1.4919 1.5000 1.5167 1.5884 1.7354 1.7777 2.5426 2.6743 3.0012 3.0768 3.6507 3.8201 4.3323 4.4295 4.5241 4.5624 4.7238 4.7723 5.8677 5.9417 6.5785 6.6149 7.9305 8.0834 10.4097 10.4438 10.6742 10.7193 11.2640 11.2792 14.0106 14.1718 14.4718 14.5221 k = 0.3333 0.5774 0.1019 ( 4566 PWs) bands (ev): -3.0956 -3.0954 -2.9394 -2.9380 -2.8694 -2.8687 0.7054 0.7068 0.7129 0.8194 0.8285 0.8892 0.8970 0.9349 0.9715 1.0067 1.0119 1.0402 1.0624 1.0923 1.1089 1.1608 1.1783 1.1855 1.2439 1.3066 1.3149 1.3851 1.3920 1.4114 1.4903 1.4992 1.5219 1.5943 1.7226 1.7657 2.5396 2.6715 2.9776 3.0506 3.6690 3.8315 4.3452 4.4976 4.5267 4.6393 4.7943 4.8497 5.7468 5.8179 6.5037 6.5389 7.8921 8.0324 10.4538 10.4784 10.7941 10.8446 11.4207 11.4411 13.8989 14.0484 14.3591 14.3836 k = 0.3333 0.5774 0.1146 ( 4566 PWs) bands (ev): -3.0958 -3.0957 -2.9327 -2.9314 -2.8759 -2.8752 0.7007 0.7087 0.7146 0.8171 0.8368 0.8858 0.8985 0.9324 0.9702 1.0061 1.0147 1.0431 1.0658 1.0864 1.1093 1.1597 1.1765 1.1846 1.2451 1.3087 1.3156 1.3854 1.3934 1.4097 1.4887 1.4987 1.5277 1.6006 1.7089 1.7530 2.5408 2.6728 2.9551 3.0265 3.6764 3.8252 4.3781 4.5431 4.5672 4.7177 4.8673 4.9288 5.6289 5.6981 6.4249 6.4581 7.8405 7.9679 10.5080 10.5228 10.9262 10.9811 11.5794 11.6049 13.7902 13.9277 14.2261 14.2310 k = 0.3333 0.5774 0.1274 ( 4560 PWs) bands (ev): -3.0955 -3.0955 -2.9261 -2.9249 -2.8828 -2.8822 0.6958 0.7048 0.7225 0.8148 0.8452 0.8823 0.9004 0.9299 0.9687 1.0054 1.0175 1.0459 1.0692 1.0801 1.1095 1.1590 1.1747 1.1840 1.2466 1.3108 1.3160 1.3856 1.3948 1.4078 1.4874 1.4986 1.5342 1.6073 1.6946 1.7399 2.5461 2.6778 2.9343 3.0047 3.6733 3.8050 4.4266 4.5720 4.6368 4.7965 4.9401 5.0085 5.5158 5.5849 6.3447 6.3751 7.7788 7.8932 10.5668 10.5726 11.0682 11.1270 11.7385 11.7691 13.6876 13.8130 14.0690 14.0775 k = 0.3333 0.5774 0.1401 ( 4548 PWs) bands (ev): -3.0949 -3.0947 -2.9195 -2.9184 -2.8901 -2.8896 0.6908 0.7013 0.7304 0.8126 0.8532 0.8787 0.9027 0.9276 0.9670 1.0047 1.0204 1.0485 1.0727 1.0735 1.1094 1.1586 1.1731 1.1836 1.2484 1.3127 1.3160 1.3859 1.3965 1.4057 1.4861 1.4988 1.5414 1.6146 1.6800 1.7266 2.5551 2.6865 2.9156 2.9857 3.6609 3.7757 4.4842 4.6090 4.7057 4.8744 5.0093 5.0874 5.4103 5.4830 6.2656 6.2928 7.7101 7.8118 10.6229 10.6248 11.2180 11.2805 11.8965 11.9317 13.5947 13.7080 13.9022 13.9188 k = 0.3333 0.5774 0.1528 ( 4548 PWs) bands (ev): -3.0938 -3.0935 -2.9129 -2.9120 -2.8978 -2.8974 0.6855 0.6980 0.7383 0.8104 0.8609 0.8750 0.9055 0.9254 0.9652 1.0040 1.0230 1.0507 1.0667 1.0759 1.1093 1.1586 1.1716 1.1834 1.2503 1.3143 1.3157 1.3860 1.3983 1.4034 1.4850 1.4992 1.5492 1.6224 1.6654 1.7133 2.5677 2.6987 2.8992 2.9695 3.6413 3.7411 4.5434 4.6470 4.7731 4.9495 5.0682 5.1638 5.3166 5.4020 6.1910 6.2146 7.6374 7.7267 10.6685 10.6765 11.3737 11.4397 12.0509 12.0900 13.5148 13.6165 13.7361 13.7551 k = 0.3333 0.5774 0.1656 ( 4536 PWs) bands (ev): -3.0922 -3.0918 -2.9068 -2.9065 -2.9056 -2.9048 0.6803 0.6951 0.7461 0.8084 0.8680 0.8713 0.9090 0.9233 0.9634 1.0034 1.0256 1.0525 1.0598 1.0790 1.1093 1.1590 1.1705 1.1836 1.2524 1.3150 1.3156 1.3862 1.4001 1.4010 1.4841 1.4999 1.5578 1.6307 1.6511 1.7001 2.5835 2.7142 2.8854 2.9564 3.6161 3.7038 4.5946 4.6753 4.8386 5.0192 5.1050 5.2356 5.2415 5.3595 6.1244 6.1452 7.5635 7.6404 10.7047 10.7169 11.5331 11.6027 12.1978 12.2389 13.4494 13.5425 13.5793 13.5925 k = 0.3333 0.5774 0.1783 ( 4539 PWs) bands (ev): -3.0903 -3.0897 -2.9145 -2.9141 -2.9002 -2.8993 0.6750 0.6925 0.7538 0.8064 0.8676 0.8744 0.9130 0.9214 0.9615 1.0029 1.0278 1.0531 1.0537 1.0816 1.1095 1.1597 1.1696 1.1838 1.2547 1.3139 1.3166 1.3863 1.3985 1.4020 1.4833 1.5008 1.5670 1.6373 1.6396 1.6873 2.6024 2.7327 2.8744 2.9464 3.5869 3.6653 4.6245 4.6808 4.9007 5.0791 5.1182 5.1944 5.3004 5.3677 6.0703 6.0904 7.4910 7.5555 10.7269 10.7417 11.6938 11.7671 12.3303 12.3690 13.3840 13.4398 13.4605 13.4897 k = 0.3333 0.5774 0.1910 ( 4539 PWs) bands (ev): -3.0879 -3.0872 -2.9231 -2.9229 -2.8941 -2.8933 0.6698 0.6903 0.7612 0.8045 0.8638 0.8799 0.9177 0.9195 0.9595 1.0027 1.0294 1.0469 1.0542 1.0839 1.1100 1.1607 1.1690 1.1843 1.2570 1.3126 1.3171 1.3864 1.3959 1.4038 1.4826 1.5019 1.5768 1.6242 1.6490 1.6750 2.6241 2.7542 2.8664 2.9398 3.5549 3.6268 4.6198 4.6560 4.9523 5.1230 5.1369 5.1846 5.3562 5.4083 6.0338 6.0572 7.4224 7.4742 10.7318 10.7476 11.8529 11.9298 12.4340 12.4611 13.2974 13.3123 13.4235 13.4611 k = 0.3333 0.5774 0.2038 ( 4536 PWs) bands (ev): -3.0852 -3.0843 -2.9320 -2.9319 -2.8881 -2.8874 0.6648 0.6885 0.7683 0.8028 0.8601 0.8848 0.9178 0.9227 0.9576 1.0026 1.0296 1.0422 1.0539 1.0857 1.1109 1.1619 1.1688 1.1849 1.2594 1.3110 1.3170 1.3864 1.3933 1.4057 1.4821 1.5031 1.5870 1.6120 1.6590 1.6634 2.6484 2.7785 2.8614 2.9365 3.5207 3.5885 4.5796 4.6054 4.9797 5.1440 5.1824 5.2166 5.4025 5.4587 6.0194 6.0518 7.3602 7.3987 10.7174 10.7333 12.0059 12.0858 12.4833 12.4852 13.2372 13.2574 13.4319 13.4581 k = 0.3333 0.5774 0.2165 ( 4530 PWs) bands (ev): -3.0821 -3.0811 -2.9411 -2.9410 -2.8822 -2.8816 0.6601 0.6871 0.7750 0.8011 0.8564 0.8889 0.9161 0.9279 0.9557 1.0029 1.0270 1.0405 1.0529 1.0869 1.1122 1.1634 1.1690 1.1856 1.2619 1.3092 1.3162 1.3865 1.3909 1.4074 1.4817 1.5044 1.5973 1.6007 1.6529 1.6695 2.6751 2.8054 2.8596 2.9367 3.4849 3.5509 4.5160 4.5398 4.9770 5.1372 5.2510 5.2831 5.4404 5.5083 6.0297 6.0762 7.3066 7.3311 10.6836 10.6991 12.1464 12.2252 12.4266 12.4566 13.2397 13.2943 13.4700 13.4807 Writing output data file ZnTe.save init_run : 0.54s CPU 0.74s WALL ( 1 calls) electrons : 478.47s CPU 482.21s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.04s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 478.46s CPU 482.20s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.04s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.03s WALL ( 1 calls) newd : 0.22s CPU 0.22s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.06s WALL ( 306 calls) cegterg : 452.71s CPU 456.05s WALL ( 652 calls) Called by sum_band: Called by *egterg: h_psi : 238.90s CPU 245.50s WALL ( 10058 calls) s_psi : 28.79s CPU 28.94s WALL ( 10058 calls) g_psi : 0.50s CPU 0.55s WALL ( 9100 calls) cdiaghg : 144.34s CPU 140.83s WALL ( 9406 calls) cegterg:over : 23.75s CPU 22.38s WALL ( 9100 calls) cegterg:upda : 9.35s CPU 12.17s WALL ( 9100 calls) cegterg:last : 8.65s CPU 9.36s WALL ( 1707 calls) Called by h_psi: h_psi:vloc : 204.70s CPU 208.49s WALL ( 10058 calls) h_psi:vnl : 34.06s CPU 36.59s WALL ( 10058 calls) add_vuspsi : 17.91s CPU 20.22s WALL ( 10058 calls) General routines calbec : 16.12s CPU 16.35s WALL ( 10058 calls) fft : 0.03s CPU 0.06s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 201.35s CPU 199.65s WALL ( 1310848 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.04s CPU 0.15s WALL ( 612 calls) Parallel routines fft_scatter : 174.87s CPU 131.35s WALL ( 1310871 calls) PWSCF : 8m28.83s CPU 8m42.34s WALL This run was terminated on: 14:47:50 27Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=