Program PWSCF v.5.1.1 starts on 27Jul2015 at 14:11:59 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: ./HgS.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 52 21 6 4070 1065 170 Max 54 22 7 4079 1096 183 Sum 1687 703 211 130393 34653 5591 bravais-lattice index = 14 lattice parameter (alat) = 7.6987 a.u. unit-cell volume = 911.3097 (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 = 43.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.698744 celldm(2)= 1.000000 celldm(3)= 2.306087 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 2.306087 ) 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 0.433635 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 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 1151 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 Hg read from file: /home/autes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Hg 12.00 200.59000 Hg( 1.00) 6 Sym. Ops. (no inversion) found ( 4 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.3333333 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.7686958 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.3333333 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7686958 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.3333333 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7686958 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.3333333 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7686958 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_3 (32) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 3C2' 2 5 -6 2C3 3 4 3C2' 6 -5 -2 -E -1 -2C3 -3 -4 Cartesian axes number of k points= 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 0.0127540), wk = 0.0032680 k( 129) = ( 0.0000000 0.0000000 0.0255079), wk = 0.0032680 k( 130) = ( 0.0000000 0.0000000 0.0382619), wk = 0.0032680 k( 131) = ( 0.0000000 0.0000000 0.0510159), wk = 0.0032680 k( 132) = ( 0.0000000 0.0000000 0.0637698), wk = 0.0032680 k( 133) = ( 0.0000000 0.0000000 0.0765238), wk = 0.0032680 k( 134) = ( 0.0000000 0.0000000 0.0892778), wk = 0.0032680 k( 135) = ( 0.0000000 0.0000000 0.1020317), wk = 0.0032680 k( 136) = ( 0.0000000 0.0000000 0.1147857), wk = 0.0032680 k( 137) = ( 0.0000000 0.0000000 0.1275397), wk = 0.0032680 k( 138) = ( 0.0000000 0.0000000 0.1402936), wk = 0.0032680 k( 139) = ( 0.0000000 0.0000000 0.1530476), wk = 0.0032680 k( 140) = ( 0.0000000 0.0000000 0.1658016), wk = 0.0032680 k( 141) = ( 0.0000000 0.0000000 0.1785556), wk = 0.0032680 k( 142) = ( 0.0000000 0.0000000 0.1913095), wk = 0.0032680 k( 143) = ( 0.0000000 0.0000000 0.2040635), wk = 0.0032680 k( 144) = ( 0.0000000 0.0000000 0.2168175), wk = 0.0032680 k( 145) = ( 0.0000000 0.0000000 0.2168175), wk = 0.0032680 k( 146) = ( 0.0111111 0.0064150 0.2168175), wk = 0.0032680 k( 147) = ( 0.0222222 0.0128300 0.2168175), wk = 0.0032680 k( 148) = ( 0.0333333 0.0192450 0.2168175), wk = 0.0032680 k( 149) = ( 0.0444444 0.0256600 0.2168175), wk = 0.0032680 k( 150) = ( 0.0555556 0.0320750 0.2168175), wk = 0.0032680 k( 151) = ( 0.0666667 0.0384900 0.2168175), wk = 0.0032680 k( 152) = ( 0.0777778 0.0449050 0.2168175), wk = 0.0032680 k( 153) = ( 0.0888889 0.0513200 0.2168175), wk = 0.0032680 k( 154) = ( 0.1000000 0.0577350 0.2168175), wk = 0.0032680 k( 155) = ( 0.1111111 0.0641500 0.2168175), wk = 0.0032680 k( 156) = ( 0.1222222 0.0705650 0.2168175), wk = 0.0032680 k( 157) = ( 0.1333333 0.0769800 0.2168175), wk = 0.0032680 k( 158) = ( 0.1444444 0.0833950 0.2168175), wk = 0.0032680 k( 159) = ( 0.1555556 0.0898100 0.2168175), wk = 0.0032680 k( 160) = ( 0.1666667 0.0962250 0.2168175), wk = 0.0032680 k( 161) = ( 0.1777778 0.1026400 0.2168175), wk = 0.0032680 k( 162) = ( 0.1888889 0.1090551 0.2168175), wk = 0.0032680 k( 163) = ( 0.2000000 0.1154701 0.2168175), wk = 0.0032680 k( 164) = ( 0.2111111 0.1218851 0.2168175), wk = 0.0032680 k( 165) = ( 0.2222222 0.1283001 0.2168175), wk = 0.0032680 k( 166) = ( 0.2333333 0.1347151 0.2168175), wk = 0.0032680 k( 167) = ( 0.2444444 0.1411301 0.2168175), wk = 0.0032680 k( 168) = ( 0.2555556 0.1475451 0.2168175), wk = 0.0032680 k( 169) = ( 0.2666667 0.1539601 0.2168175), wk = 0.0032680 k( 170) = ( 0.2777778 0.1603751 0.2168175), wk = 0.0032680 k( 171) = ( 0.2888889 0.1667901 0.2168175), wk = 0.0032680 k( 172) = ( 0.3000000 0.1732051 0.2168175), wk = 0.0032680 k( 173) = ( 0.3111111 0.1796201 0.2168175), wk = 0.0032680 k( 174) = ( 0.3222222 0.1860351 0.2168175), wk = 0.0032680 k( 175) = ( 0.3333333 0.1924501 0.2168175), wk = 0.0032680 k( 176) = ( 0.3444444 0.1988651 0.2168175), wk = 0.0032680 k( 177) = ( 0.3555556 0.2052801 0.2168175), wk = 0.0032680 k( 178) = ( 0.3666667 0.2116951 0.2168175), wk = 0.0032680 k( 179) = ( 0.3777778 0.2181101 0.2168175), wk = 0.0032680 k( 180) = ( 0.3888889 0.2245251 0.2168175), wk = 0.0032680 k( 181) = ( 0.4000000 0.2309401 0.2168175), wk = 0.0032680 k( 182) = ( 0.4111111 0.2373551 0.2168175), wk = 0.0032680 k( 183) = ( 0.4222222 0.2437701 0.2168175), wk = 0.0032680 k( 184) = ( 0.4333333 0.2501851 0.2168175), wk = 0.0032680 k( 185) = ( 0.4444444 0.2566001 0.2168175), wk = 0.0032680 k( 186) = ( 0.4555556 0.2630151 0.2168175), wk = 0.0032680 k( 187) = ( 0.4666667 0.2694301 0.2168175), wk = 0.0032680 k( 188) = ( 0.4777778 0.2758451 0.2168175), wk = 0.0032680 k( 189) = ( 0.4888889 0.2822601 0.2168175), wk = 0.0032680 k( 190) = ( 0.5000000 0.2886751 0.2168175), wk = 0.0032680 k( 191) = ( 0.5000000 0.2886751 0.2168175), wk = 0.0032680 k( 192) = ( 0.4935897 0.2997780 0.2168175), wk = 0.0032680 k( 193) = ( 0.4871795 0.3108809 0.2168175), wk = 0.0032680 k( 194) = ( 0.4807692 0.3219838 0.2168175), wk = 0.0032680 k( 195) = ( 0.4743590 0.3330867 0.2168175), wk = 0.0032680 k( 196) = ( 0.4679487 0.3441896 0.2168175), wk = 0.0032680 k( 197) = ( 0.4615385 0.3552925 0.2168175), wk = 0.0032680 k( 198) = ( 0.4551282 0.3663954 0.2168175), wk = 0.0032680 k( 199) = ( 0.4487179 0.3774983 0.2168175), wk = 0.0032680 k( 200) = ( 0.4423077 0.3886011 0.2168175), wk = 0.0032680 k( 201) = ( 0.4358974 0.3997040 0.2168175), wk = 0.0032680 k( 202) = ( 0.4294872 0.4108069 0.2168175), wk = 0.0032680 k( 203) = ( 0.4230769 0.4219098 0.2168175), wk = 0.0032680 k( 204) = ( 0.4166667 0.4330127 0.2168175), wk = 0.0032680 k( 205) = ( 0.4102564 0.4441156 0.2168175), wk = 0.0032680 k( 206) = ( 0.4038462 0.4552185 0.2168175), wk = 0.0032680 k( 207) = ( 0.3974359 0.4663214 0.2168175), wk = 0.0032680 k( 208) = ( 0.3910256 0.4774243 0.2168175), wk = 0.0032680 k( 209) = ( 0.3846154 0.4885271 0.2168175), wk = 0.0032680 k( 210) = ( 0.3782051 0.4996300 0.2168175), wk = 0.0032680 k( 211) = ( 0.3717949 0.5107329 0.2168175), wk = 0.0032680 k( 212) = ( 0.3653846 0.5218358 0.2168175), wk = 0.0032680 k( 213) = ( 0.3589744 0.5329387 0.2168175), wk = 0.0032680 k( 214) = ( 0.3525641 0.5440416 0.2168175), wk = 0.0032680 k( 215) = ( 0.3461538 0.5551445 0.2168175), wk = 0.0032680 k( 216) = ( 0.3397436 0.5662474 0.2168175), wk = 0.0032680 k( 217) = ( 0.3333333 0.5773503 0.2168175), wk = 0.0032680 k( 218) = ( 0.3333333 0.5773503 0.2168175), wk = 0.0032680 k( 219) = ( 0.3269231 0.5662474 0.2168175), wk = 0.0032680 k( 220) = ( 0.3205128 0.5551445 0.2168175), wk = 0.0032680 k( 221) = ( 0.3141026 0.5440416 0.2168175), wk = 0.0032680 k( 222) = ( 0.3076923 0.5329387 0.2168175), wk = 0.0032680 k( 223) = ( 0.3012821 0.5218358 0.2168175), wk = 0.0032680 k( 224) = ( 0.2948718 0.5107329 0.2168175), wk = 0.0032680 k( 225) = ( 0.2884615 0.4996300 0.2168175), wk = 0.0032680 k( 226) = ( 0.2820513 0.4885271 0.2168175), wk = 0.0032680 k( 227) = ( 0.2756410 0.4774243 0.2168175), wk = 0.0032680 k( 228) = ( 0.2692308 0.4663214 0.2168175), wk = 0.0032680 k( 229) = ( 0.2628205 0.4552185 0.2168175), wk = 0.0032680 k( 230) = ( 0.2564103 0.4441156 0.2168175), wk = 0.0032680 k( 231) = ( 0.2500000 0.4330127 0.2168175), wk = 0.0032680 k( 232) = ( 0.2435897 0.4219098 0.2168175), wk = 0.0032680 k( 233) = ( 0.2371795 0.4108069 0.2168175), wk = 0.0032680 k( 234) = ( 0.2307692 0.3997040 0.2168175), wk = 0.0032680 k( 235) = ( 0.2243590 0.3886011 0.2168175), wk = 0.0032680 k( 236) = ( 0.2179487 0.3774983 0.2168175), wk = 0.0032680 k( 237) = ( 0.2115385 0.3663954 0.2168175), wk = 0.0032680 k( 238) = ( 0.2051282 0.3552925 0.2168175), wk = 0.0032680 k( 239) = ( 0.1987180 0.3441896 0.2168175), wk = 0.0032680 k( 240) = ( 0.1923077 0.3330867 0.2168175), wk = 0.0032680 k( 241) = ( 0.1858974 0.3219838 0.2168175), wk = 0.0032680 k( 242) = ( 0.1794872 0.3108809 0.2168175), wk = 0.0032680 k( 243) = ( 0.1730769 0.2997780 0.2168175), wk = 0.0032680 k( 244) = ( 0.1666667 0.2886751 0.2168175), wk = 0.0032680 k( 245) = ( 0.1602564 0.2775722 0.2168175), wk = 0.0032680 k( 246) = ( 0.1538461 0.2664693 0.2168175), wk = 0.0032680 k( 247) = ( 0.1474359 0.2553665 0.2168175), wk = 0.0032680 k( 248) = ( 0.1410256 0.2442636 0.2168175), wk = 0.0032680 k( 249) = ( 0.1346154 0.2331607 0.2168175), wk = 0.0032680 k( 250) = ( 0.1282051 0.2220578 0.2168175), wk = 0.0032680 k( 251) = ( 0.1217949 0.2109549 0.2168175), wk = 0.0032680 k( 252) = ( 0.1153846 0.1998520 0.2168175), wk = 0.0032680 k( 253) = ( 0.1089744 0.1887491 0.2168175), wk = 0.0032680 k( 254) = ( 0.1025641 0.1776462 0.2168175), wk = 0.0032680 k( 255) = ( 0.0961538 0.1665434 0.2168175), wk = 0.0032680 k( 256) = ( 0.0897436 0.1554405 0.2168175), wk = 0.0032680 k( 257) = ( 0.0833333 0.1443376 0.2168175), wk = 0.0032680 k( 258) = ( 0.0769231 0.1332347 0.2168175), wk = 0.0032680 k( 259) = ( 0.0705128 0.1221318 0.2168175), wk = 0.0032680 k( 260) = ( 0.0641026 0.1110289 0.2168175), wk = 0.0032680 k( 261) = ( 0.0576923 0.0999260 0.2168175), wk = 0.0032680 k( 262) = ( 0.0512821 0.0888231 0.2168175), wk = 0.0032680 k( 263) = ( 0.0448718 0.0777202 0.2168175), wk = 0.0032680 k( 264) = ( 0.0384615 0.0666173 0.2168175), wk = 0.0032680 k( 265) = ( 0.0320513 0.0555144 0.2168175), wk = 0.0032680 k( 266) = ( 0.0256410 0.0444116 0.2168175), wk = 0.0032680 k( 267) = ( 0.0192308 0.0333087 0.2168175), wk = 0.0032680 k( 268) = ( 0.0128205 0.0222058 0.2168175), wk = 0.0032680 k( 269) = ( 0.0064103 0.0111029 0.2168175), wk = 0.0032680 k( 270) = ( 0.0000000 0.0000000 0.2168175), wk = 0.0032680 k( 271) = ( 0.5000000 0.2886751 0.2168175), wk = 0.0032680 k( 272) = ( 0.5000000 0.2886751 0.2040635), wk = 0.0032680 k( 273) = ( 0.5000000 0.2886751 0.1913095), wk = 0.0032680 k( 274) = ( 0.5000000 0.2886751 0.1785556), wk = 0.0032680 k( 275) = ( 0.5000000 0.2886751 0.1658016), wk = 0.0032680 k( 276) = ( 0.5000000 0.2886751 0.1530476), wk = 0.0032680 k( 277) = ( 0.5000000 0.2886751 0.1402936), wk = 0.0032680 k( 278) = ( 0.5000000 0.2886751 0.1275397), wk = 0.0032680 k( 279) = ( 0.5000000 0.2886751 0.1147857), wk = 0.0032680 k( 280) = ( 0.5000000 0.2886751 0.1020317), wk = 0.0032680 k( 281) = ( 0.5000000 0.2886751 0.0892778), wk = 0.0032680 k( 282) = ( 0.5000000 0.2886751 0.0765238), wk = 0.0032680 k( 283) = ( 0.5000000 0.2886751 0.0637698), wk = 0.0032680 k( 284) = ( 0.5000000 0.2886751 0.0510159), wk = 0.0032680 k( 285) = ( 0.5000000 0.2886751 0.0382619), wk = 0.0032680 k( 286) = ( 0.5000000 0.2886751 0.0255079), wk = 0.0032680 k( 287) = ( 0.5000000 0.2886751 0.0127540), 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 0.0127540), wk = 0.0032680 k( 291) = ( 0.3333333 0.5773503 0.0255079), wk = 0.0032680 k( 292) = ( 0.3333333 0.5773503 0.0382619), wk = 0.0032680 k( 293) = ( 0.3333333 0.5773503 0.0510159), wk = 0.0032680 k( 294) = ( 0.3333333 0.5773503 0.0637698), wk = 0.0032680 k( 295) = ( 0.3333333 0.5773503 0.0765238), wk = 0.0032680 k( 296) = ( 0.3333333 0.5773503 0.0892778), wk = 0.0032680 k( 297) = ( 0.3333333 0.5773503 0.1020317), wk = 0.0032680 k( 298) = ( 0.3333333 0.5773503 0.1147857), wk = 0.0032680 k( 299) = ( 0.3333333 0.5773503 0.1275397), wk = 0.0032680 k( 300) = ( 0.3333333 0.5773503 0.1402936), wk = 0.0032680 k( 301) = ( 0.3333333 0.5773503 0.1530476), wk = 0.0032680 k( 302) = ( 0.3333333 0.5773503 0.1658016), wk = 0.0032680 k( 303) = ( 0.3333333 0.5773503 0.1785556), wk = 0.0032680 k( 304) = ( 0.3333333 0.5773503 0.1913095), wk = 0.0032680 k( 305) = ( 0.3333333 0.5773503 0.2040635), wk = 0.0032680 k( 306) = ( 0.3333333 0.5773503 0.2168175), 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: 130393 G-vectors FFT dimensions: ( 50, 50, 120) Smooth grid: 34653 G-vectors FFT dimensions: ( 36, 36, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.27 Mb ( 280, 64) NL pseudopotentials 0.44 Mb ( 140, 204) Each V/rho on FFT grid 0.15 Mb ( 10000) Each G-vector array 0.03 Mb ( 4071) G-vector shells 0.01 Mb ( 1921) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.09 Mb ( 280, 256) Each subspace H/S matrix 1.00 Mb ( 256, 256) Each matrix 0.40 Mb ( 204, 2, 64) The potential is recalculated from file : ./HgS.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 5.0 secs Computing kpt #: 2 total cpu time spent up to now is 7.0 secs Computing kpt #: 3 total cpu time spent up to now is 9.0 secs Computing kpt #: 4 total cpu time spent up to now is 11.1 secs Computing kpt #: 5 total cpu time spent up to now is 13.1 secs Computing kpt #: 6 total cpu time spent up to now is 15.1 secs Computing kpt #: 7 total cpu time spent up to now is 17.1 secs Computing kpt #: 8 total cpu time spent up to now is 19.1 secs Computing kpt #: 9 total cpu time spent up to now is 21.1 secs Computing kpt #: 10 total cpu time spent up to now is 23.1 secs Computing kpt #: 11 total cpu time spent up to now is 25.1 secs Computing kpt #: 12 total cpu time spent up to now is 27.1 secs Computing kpt #: 13 total cpu time spent up to now is 29.2 secs Computing kpt #: 14 total cpu time spent up to now is 31.2 secs Computing kpt #: 15 total cpu time spent up to now is 33.3 secs Computing kpt #: 16 total cpu time spent up to now is 35.3 secs Computing kpt #: 17 total cpu time spent up to now is 37.3 secs Computing kpt #: 18 total cpu time spent up to now is 39.4 secs Computing kpt #: 19 total cpu time spent up to now is 41.5 secs Computing kpt #: 20 total cpu time spent up to now is 43.7 secs Computing kpt #: 21 total cpu time spent up to now is 45.8 secs Computing kpt #: 22 total cpu time spent up to now is 48.1 secs Computing kpt #: 23 total cpu time spent up to now is 50.5 secs Computing kpt #: 24 total cpu time spent up to now is 52.9 secs Computing kpt #: 25 total cpu time spent up to now is 55.3 secs Computing kpt #: 26 total cpu time spent up to now is 57.5 secs Computing kpt #: 27 total cpu time spent up to now is 59.8 secs Computing kpt #: 28 total cpu time spent up to now is 62.1 secs Computing kpt #: 29 total cpu time spent up to now is 64.4 secs Computing kpt #: 30 total cpu time spent up to now is 66.7 secs Computing kpt #: 31 total cpu time spent up to now is 69.0 secs Computing kpt #: 32 total cpu time spent up to now is 71.4 secs Computing kpt #: 33 total cpu time spent up to now is 73.8 secs Computing kpt #: 34 total cpu time spent up to now is 76.2 secs Computing kpt #: 35 total cpu time spent up to now is 78.5 secs Computing kpt #: 36 total cpu time spent up to now is 80.8 secs Computing kpt #: 37 total cpu time spent up to now is 83.1 secs Computing kpt #: 38 total cpu time spent up to now is 85.2 secs Computing kpt #: 39 total cpu time spent up to now is 87.4 secs Computing kpt #: 40 total cpu time spent up to now is 89.6 secs Computing kpt #: 41 total cpu time spent up to now is 91.7 secs Computing kpt #: 42 total cpu time spent up to now is 93.8 secs Computing kpt #: 43 total cpu time spent up to now is 97.9 secs Computing kpt #: 44 total cpu time spent up to now is 100.2 secs Computing kpt #: 45 total cpu time spent up to now is 102.3 secs Computing kpt #: 46 total cpu time spent up to now is 104.3 secs Computing kpt #: 47 total cpu time spent up to now is 106.3 secs Computing kpt #: 48 total cpu time spent up to now is 108.3 secs Computing kpt #: 49 total cpu time spent up to now is 110.4 secs Computing kpt #: 50 total cpu time spent up to now is 112.4 secs Computing kpt #: 51 total cpu time spent up to now is 114.4 secs Computing kpt #: 52 total cpu time spent up to now is 116.5 secs Computing kpt #: 53 total cpu time spent up to now is 118.6 secs Computing kpt #: 54 total cpu time spent up to now is 120.6 secs Computing kpt #: 55 total cpu time spent up to now is 122.6 secs Computing kpt #: 56 total cpu time spent up to now is 124.6 secs Computing kpt #: 57 total cpu time spent up to now is 126.6 secs Computing kpt #: 58 total cpu time spent up to now is 128.7 secs Computing kpt #: 59 total cpu time spent up to now is 130.7 secs Computing kpt #: 60 total cpu time spent up to now is 132.7 secs Computing kpt #: 61 total cpu time spent up to now is 134.7 secs Computing kpt #: 62 total cpu time spent up to now is 136.8 secs Computing kpt #: 63 total cpu time spent up to now is 138.8 secs Computing kpt #: 64 total cpu time spent up to now is 140.9 secs Computing kpt #: 65 total cpu time spent up to now is 143.0 secs Computing kpt #: 66 total cpu time spent up to now is 145.2 secs Computing kpt #: 67 total cpu time spent up to now is 147.3 secs Computing kpt #: 68 total cpu time spent up to now is 149.5 secs Computing kpt #: 69 total cpu time spent up to now is 151.8 secs Computing kpt #: 70 total cpu time spent up to now is 154.0 secs Computing kpt #: 71 total cpu time spent up to now is 156.4 secs Computing kpt #: 72 total cpu time spent up to now is 158.6 secs Computing kpt #: 73 total cpu time spent up to now is 161.1 secs Computing kpt #: 74 total cpu time spent up to now is 163.6 secs Computing kpt #: 75 total cpu time spent up to now is 166.1 secs Computing kpt #: 76 total cpu time spent up to now is 168.5 secs Computing kpt #: 77 total cpu time spent up to now is 171.0 secs Computing kpt #: 78 total cpu time spent up to now is 173.5 secs Computing kpt #: 79 total cpu time spent up to now is 176.0 secs Computing kpt #: 80 total cpu time spent up to now is 178.4 secs Computing kpt #: 81 total cpu time spent up to now is 180.8 secs Computing kpt #: 82 total cpu time spent up to now is 183.1 secs Computing kpt #: 83 total cpu time spent up to now is 185.4 secs Computing kpt #: 84 total cpu time spent up to now is 187.6 secs Computing kpt #: 85 total cpu time spent up to now is 189.9 secs Computing kpt #: 86 total cpu time spent up to now is 192.1 secs Computing kpt #: 87 total cpu time spent up to now is 194.3 secs Computing kpt #: 88 total cpu time spent up to now is 196.6 secs Computing kpt #: 89 total cpu time spent up to now is 198.8 secs Computing kpt #: 90 total cpu time spent up to now is 201.0 secs Computing kpt #: 91 total cpu time spent up to now is 203.2 secs Computing kpt #: 92 total cpu time spent up to now is 205.4 secs Computing kpt #: 93 total cpu time spent up to now is 207.6 secs Computing kpt #: 94 total cpu time spent up to now is 209.8 secs Computing kpt #: 95 total cpu time spent up to now is 212.1 secs Computing kpt #: 96 total cpu time spent up to now is 214.3 secs Computing kpt #: 97 total cpu time spent up to now is 216.4 secs Computing kpt #: 98 total cpu time spent up to now is 218.7 secs Computing kpt #: 99 total cpu time spent up to now is 220.9 secs Computing kpt #: 100 total cpu time spent up to now is 223.2 secs Computing kpt #: 101 total cpu time spent up to now is 225.4 secs Computing kpt #: 102 total cpu time spent up to now is 227.6 secs Computing kpt #: 103 total cpu time spent up to now is 229.9 secs Computing kpt #: 104 total cpu time spent up to now is 232.0 secs Computing kpt #: 105 total cpu time spent up to now is 234.2 secs Computing kpt #: 106 total cpu time spent up to now is 236.3 secs Computing kpt #: 107 total cpu time spent up to now is 238.4 secs Computing kpt #: 108 total cpu time spent up to now is 240.5 secs Computing kpt #: 109 total cpu time spent up to now is 242.6 secs Computing kpt #: 110 total cpu time spent up to now is 244.6 secs Computing kpt #: 111 total cpu time spent up to now is 246.7 secs Computing kpt #: 112 total cpu time spent up to now is 248.7 secs Computing kpt #: 113 total cpu time spent up to now is 250.7 secs Computing kpt #: 114 total cpu time spent up to now is 252.7 secs Computing kpt #: 115 total cpu time spent up to now is 254.7 secs Computing kpt #: 116 total cpu time spent up to now is 256.7 secs Computing kpt #: 117 total cpu time spent up to now is 258.7 secs Computing kpt #: 118 total cpu time spent up to now is 260.8 secs Computing kpt #: 119 total cpu time spent up to now is 262.8 secs Computing kpt #: 120 total cpu time spent up to now is 264.8 secs Computing kpt #: 121 total cpu time spent up to now is 266.8 secs Computing kpt #: 122 total cpu time spent up to now is 268.9 secs Computing kpt #: 123 total cpu time spent up to now is 270.9 secs Computing kpt #: 124 total cpu time spent up to now is 272.9 secs Computing kpt #: 125 total cpu time spent up to now is 274.9 secs Computing kpt #: 126 total cpu time spent up to now is 276.8 secs Computing kpt #: 127 total cpu time spent up to now is 278.8 secs Computing kpt #: 128 total cpu time spent up to now is 280.7 secs Computing kpt #: 129 total cpu time spent up to now is 282.7 secs Computing kpt #: 130 total cpu time spent up to now is 284.7 secs Computing kpt #: 131 total cpu time spent up to now is 286.7 secs Computing kpt #: 132 total cpu time spent up to now is 288.7 secs Computing kpt #: 133 total cpu time spent up to now is 290.7 secs Computing kpt #: 134 total cpu time spent up to now is 292.8 secs Computing kpt #: 135 total cpu time spent up to now is 294.8 secs Computing kpt #: 136 total cpu time spent up to now is 296.9 secs Computing kpt #: 137 total cpu time spent up to now is 299.2 secs Computing kpt #: 138 total cpu time spent up to now is 301.3 secs Computing kpt #: 139 total cpu time spent up to now is 303.4 secs Computing kpt #: 140 total cpu time spent up to now is 306.2 secs Computing kpt #: 141 total cpu time spent up to now is 308.6 secs Computing kpt #: 142 total cpu time spent up to now is 311.0 secs Computing kpt #: 143 total cpu time spent up to now is 313.4 secs Computing kpt #: 144 total cpu time spent up to now is 315.6 secs Computing kpt #: 145 total cpu time spent up to now is 317.7 secs Computing kpt #: 146 total cpu time spent up to now is 320.0 secs Computing kpt #: 147 total cpu time spent up to now is 322.3 secs Computing kpt #: 148 total cpu time spent up to now is 324.6 secs Computing kpt #: 149 total cpu time spent up to now is 326.8 secs Computing kpt #: 150 total cpu time spent up to now is 328.9 secs Computing kpt #: 151 total cpu time spent up to now is 331.1 secs Computing kpt #: 152 total cpu time spent up to now is 333.3 secs Computing kpt #: 153 total cpu time spent up to now is 335.5 secs Computing kpt #: 154 total cpu time spent up to now is 337.6 secs Computing kpt #: 155 total cpu time spent up to now is 339.8 secs Computing kpt #: 156 total cpu time spent up to now is 342.0 secs Computing kpt #: 157 total cpu time spent up to now is 344.1 secs Computing kpt #: 158 total cpu time spent up to now is 346.3 secs Computing kpt #: 159 total cpu time spent up to now is 348.5 secs Computing kpt #: 160 total cpu time spent up to now is 350.7 secs Computing kpt #: 161 total cpu time spent up to now is 352.9 secs Computing kpt #: 162 total cpu time spent up to now is 355.2 secs Computing kpt #: 163 total cpu time spent up to now is 357.4 secs Computing kpt #: 164 total cpu time spent up to now is 359.6 secs Computing kpt #: 165 total cpu time spent up to now is 361.8 secs Computing kpt #: 166 total cpu time spent up to now is 364.0 secs Computing kpt #: 167 total cpu time spent up to now is 366.2 secs Computing kpt #: 168 total cpu time spent up to now is 368.5 secs Computing kpt #: 169 total cpu time spent up to now is 370.8 secs Computing kpt #: 170 total cpu time spent up to now is 373.1 secs Computing kpt #: 171 total cpu time spent up to now is 375.3 secs Computing kpt #: 172 total cpu time spent up to now is 377.5 secs Computing kpt #: 173 total cpu time spent up to now is 379.8 secs Computing kpt #: 174 total cpu time spent up to now is 382.0 secs Computing kpt #: 175 total cpu time spent up to now is 384.1 secs Computing kpt #: 176 total cpu time spent up to now is 386.3 secs Computing kpt #: 177 total cpu time spent up to now is 388.4 secs Computing kpt #: 178 total cpu time spent up to now is 390.6 secs Computing kpt #: 179 total cpu time spent up to now is 392.7 secs Computing kpt #: 180 total cpu time spent up to now is 395.9 secs Computing kpt #: 181 total cpu time spent up to now is 399.4 secs Computing kpt #: 182 total cpu time spent up to now is 401.7 secs Computing kpt #: 183 total cpu time spent up to now is 403.9 secs Computing kpt #: 184 total cpu time spent up to now is 406.0 secs Computing kpt #: 185 total cpu time spent up to now is 408.2 secs Computing kpt #: 186 total cpu time spent up to now is 410.4 secs Computing kpt #: 187 total cpu time spent up to now is 412.6 secs Computing kpt #: 188 total cpu time spent up to now is 414.8 secs Computing kpt #: 189 total cpu time spent up to now is 416.9 secs Computing kpt #: 190 total cpu time spent up to now is 419.0 secs Computing kpt #: 191 total cpu time spent up to now is 421.1 secs Computing kpt #: 192 total cpu time spent up to now is 423.2 secs Computing kpt #: 193 total cpu time spent up to now is 425.4 secs Computing kpt #: 194 total cpu time spent up to now is 427.5 secs Computing kpt #: 195 total cpu time spent up to now is 429.7 secs Computing kpt #: 196 total cpu time spent up to now is 431.9 secs Computing kpt #: 197 total cpu time spent up to now is 434.0 secs Computing kpt #: 198 total cpu time spent up to now is 436.3 secs Computing kpt #: 199 total cpu time spent up to now is 438.4 secs Computing kpt #: 200 total cpu time spent up to now is 440.6 secs Computing kpt #: 201 total cpu time spent up to now is 442.9 secs Computing kpt #: 202 total cpu time spent up to now is 445.1 secs Computing kpt #: 203 total cpu time spent up to now is 447.3 secs Computing kpt #: 204 total cpu time spent up to now is 449.6 secs Computing kpt #: 205 total cpu time spent up to now is 451.8 secs Computing kpt #: 206 total cpu time spent up to now is 454.1 secs Computing kpt #: 207 total cpu time spent up to now is 456.3 secs Computing kpt #: 208 total cpu time spent up to now is 458.6 secs Computing kpt #: 209 total cpu time spent up to now is 460.9 secs Computing kpt #: 210 total cpu time spent up to now is 463.3 secs Computing kpt #: 211 total cpu time spent up to now is 465.6 secs Computing kpt #: 212 total cpu time spent up to now is 468.0 secs Computing kpt #: 213 total cpu time spent up to now is 470.3 secs Computing kpt #: 214 total cpu time spent up to now is 472.7 secs Computing kpt #: 215 total cpu time spent up to now is 475.0 secs Computing kpt #: 216 total cpu time spent up to now is 477.3 secs Computing kpt #: 217 total cpu time spent up to now is 479.5 secs Computing kpt #: 218 total cpu time spent up to now is 481.8 secs Computing kpt #: 219 total cpu time spent up to now is 484.1 secs Computing kpt #: 220 total cpu time spent up to now is 486.4 secs Computing kpt #: 221 total cpu time spent up to now is 488.8 secs Computing kpt #: 222 total cpu time spent up to now is 491.1 secs Computing kpt #: 223 total cpu time spent up to now is 493.4 secs Computing kpt #: 224 total cpu time spent up to now is 495.6 secs Computing kpt #: 225 total cpu time spent up to now is 497.8 secs Computing kpt #: 226 total cpu time spent up to now is 500.0 secs Computing kpt #: 227 total cpu time spent up to now is 502.1 secs Computing kpt #: 228 total cpu time spent up to now is 504.2 secs Computing kpt #: 229 total cpu time spent up to now is 506.4 secs Computing kpt #: 230 total cpu time spent up to now is 508.5 secs Computing kpt #: 231 total cpu time spent up to now is 510.6 secs Computing kpt #: 232 total cpu time spent up to now is 512.8 secs Computing kpt #: 233 total cpu time spent up to now is 514.9 secs Computing kpt #: 234 total cpu time spent up to now is 517.1 secs Computing kpt #: 235 total cpu time spent up to now is 519.2 secs Computing kpt #: 236 total cpu time spent up to now is 521.3 secs Computing kpt #: 237 total cpu time spent up to now is 523.5 secs Computing kpt #: 238 total cpu time spent up to now is 525.6 secs Computing kpt #: 239 total cpu time spent up to now is 527.8 secs Computing kpt #: 240 total cpu time spent up to now is 529.9 secs Computing kpt #: 241 total cpu time spent up to now is 532.1 secs Computing kpt #: 242 total cpu time spent up to now is 534.2 secs Computing kpt #: 243 total cpu time spent up to now is 536.4 secs Computing kpt #: 244 total cpu time spent up to now is 538.5 secs Computing kpt #: 245 total cpu time spent up to now is 540.7 secs Computing kpt #: 246 total cpu time spent up to now is 542.8 secs Computing kpt #: 247 total cpu time spent up to now is 544.9 secs Computing kpt #: 248 total cpu time spent up to now is 547.0 secs Computing kpt #: 249 total cpu time spent up to now is 549.2 secs Computing kpt #: 250 total cpu time spent up to now is 551.3 secs Computing kpt #: 251 total cpu time spent up to now is 553.4 secs Computing kpt #: 252 total cpu time spent up to now is 555.6 secs Computing kpt #: 253 total cpu time spent up to now is 557.7 secs Computing kpt #: 254 total cpu time spent up to now is 559.8 secs Computing kpt #: 255 total cpu time spent up to now is 561.9 secs Computing kpt #: 256 total cpu time spent up to now is 564.1 secs Computing kpt #: 257 total cpu time spent up to now is 566.2 secs Computing kpt #: 258 total cpu time spent up to now is 568.3 secs Computing kpt #: 259 total cpu time spent up to now is 570.4 secs Computing kpt #: 260 total cpu time spent up to now is 572.6 secs Computing kpt #: 261 total cpu time spent up to now is 574.7 secs Computing kpt #: 262 total cpu time spent up to now is 576.8 secs Computing kpt #: 263 total cpu time spent up to now is 579.1 secs Computing kpt #: 264 total cpu time spent up to now is 581.3 secs Computing kpt #: 265 total cpu time spent up to now is 583.4 secs Computing kpt #: 266 total cpu time spent up to now is 585.6 secs Computing kpt #: 267 total cpu time spent up to now is 587.8 secs Computing kpt #: 268 total cpu time spent up to now is 590.2 secs Computing kpt #: 269 total cpu time spent up to now is 592.5 secs Computing kpt #: 270 total cpu time spent up to now is 594.6 secs Computing kpt #: 271 total cpu time spent up to now is 596.7 secs Computing kpt #: 272 total cpu time spent up to now is 598.9 secs Computing kpt #: 273 total cpu time spent up to now is 601.2 secs Computing kpt #: 274 total cpu time spent up to now is 603.4 secs Computing kpt #: 275 total cpu time spent up to now is 605.7 secs Computing kpt #: 276 total cpu time spent up to now is 608.0 secs Computing kpt #: 277 total cpu time spent up to now is 610.4 secs Computing kpt #: 278 total cpu time spent up to now is 612.7 secs Computing kpt #: 279 total cpu time spent up to now is 615.0 secs Computing kpt #: 280 total cpu time spent up to now is 617.2 secs Computing kpt #: 281 total cpu time spent up to now is 619.3 secs Computing kpt #: 282 total cpu time spent up to now is 621.5 secs Computing kpt #: 283 total cpu time spent up to now is 623.7 secs Computing kpt #: 284 total cpu time spent up to now is 625.8 secs Computing kpt #: 285 total cpu time spent up to now is 627.9 secs Computing kpt #: 286 total cpu time spent up to now is 630.0 secs Computing kpt #: 287 total cpu time spent up to now is 632.1 secs Computing kpt #: 288 total cpu time spent up to now is 634.1 secs Computing kpt #: 289 total cpu time spent up to now is 636.6 secs Computing kpt #: 290 total cpu time spent up to now is 639.0 secs Computing kpt #: 291 total cpu time spent up to now is 641.5 secs Computing kpt #: 292 total cpu time spent up to now is 644.0 secs Computing kpt #: 293 total cpu time spent up to now is 646.5 secs Computing kpt #: 294 total cpu time spent up to now is 649.0 secs Computing kpt #: 295 total cpu time spent up to now is 651.5 secs Computing kpt #: 296 total cpu time spent up to now is 653.9 secs Computing kpt #: 297 total cpu time spent up to now is 656.4 secs Computing kpt #: 298 total cpu time spent up to now is 658.8 secs Computing kpt #: 299 total cpu time spent up to now is 661.3 secs Computing kpt #: 300 total cpu time spent up to now is 663.7 secs Computing kpt #: 301 total cpu time spent up to now is 666.1 secs Computing kpt #: 302 total cpu time spent up to now is 668.6 secs Computing kpt #: 303 total cpu time spent up to now is 670.9 secs Computing kpt #: 304 total cpu time spent up to now is 673.2 secs Computing kpt #: 305 total cpu time spent up to now is 675.5 secs Computing kpt #: 306 total cpu time spent up to now is 677.7 secs ethr = 1.85E-11, avg # of iterations = 37.4 total cpu time spent up to now is 677.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4297 PWs) bands (ev): -5.6795 -5.6795 -4.6413 -4.6413 -4.6313 -4.6313 -0.0540 -0.0540 -0.0417 -0.0417 0.3260 0.3260 0.5963 0.5963 0.7429 0.7429 0.7450 0.7450 1.2254 1.2254 1.3442 1.3442 2.0098 2.0098 2.0755 2.0755 2.1879 2.1879 2.2413 2.2413 2.5816 2.5816 2.6877 2.6877 2.7272 2.7272 3.7873 3.7873 3.8279 3.8279 5.9884 5.9884 6.4734 6.4734 6.4846 6.4846 6.6855 6.6855 7.6341 7.6341 8.0126 8.0126 8.0233 8.0233 9.6030 9.6030 11.3635 11.3635 11.3771 11.3771 12.9096 12.9096 13.0561 13.0561 k = 0.0111 0.0064-0.0000 ( 4305 PWs) bands (ev): -5.6789 -5.6788 -4.6413 -4.6410 -4.6311 -4.6311 -0.0568 -0.0518 -0.0416 -0.0415 0.3241 0.3290 0.5962 0.5968 0.7424 0.7426 0.7450 0.7460 1.2255 1.2256 1.3393 1.3498 2.0090 2.0110 2.0736 2.0777 2.1868 2.1890 2.2415 2.2415 2.5815 2.5815 2.6842 2.6913 2.7261 2.7283 3.7875 3.7876 3.8275 3.8292 5.9850 5.9892 6.4442 6.4482 6.4781 6.4814 6.7115 6.7142 7.6305 7.6348 8.0071 8.0116 8.0212 8.0221 9.6017 9.6065 11.3663 11.3709 11.3820 11.3821 12.9041 12.9048 13.0486 13.0493 k = 0.0222 0.0128-0.0000 ( 4305 PWs) bands (ev): -5.6769 -5.6768 -4.6409 -4.6402 -4.6306 -4.6305 -0.0601 -0.0508 -0.0413 -0.0404 0.3232 0.3330 0.5963 0.5975 0.7414 0.7421 0.7457 0.7473 1.2258 1.2259 1.3351 1.3562 2.0087 2.0127 2.0721 2.0802 2.1857 2.1902 2.2422 2.2424 2.5813 2.5813 2.6809 2.6951 2.7250 2.7294 3.7882 3.7887 3.8283 3.8316 5.9791 5.9874 6.3740 6.3802 6.4754 6.4821 6.7670 6.7705 7.6239 7.6324 7.9960 8.0031 8.0143 8.0197 9.6029 9.6122 11.3795 11.3879 11.3964 11.3976 12.8864 12.8908 13.0261 13.0313 k = 0.0333 0.0192-0.0000 ( 4293 PWs) bands (ev): -5.6737 -5.6734 -4.6402 -4.6392 -4.6296 -4.6294 -0.0635 -0.0508 -0.0412 -0.0385 0.3235 0.3380 0.5968 0.5984 0.7402 0.7416 0.7467 0.7488 1.2262 1.2266 1.3317 1.3632 2.0088 2.0148 2.0709 2.0829 2.1846 2.1915 2.2433 2.2437 2.5809 2.5810 2.6777 2.6990 2.7240 2.7306 3.7889 3.7906 3.8302 3.8350 5.9706 5.9827 6.2899 6.2976 6.4730 6.4828 6.8270 6.8311 7.6142 7.6270 7.9793 7.9885 8.0034 8.0153 9.6073 9.6204 11.4025 11.4132 11.4199 11.4237 12.8545 12.8683 12.9897 13.0067 k = 0.0444 0.0257-0.0000 ( 4290 PWs) bands (ev): -5.6692 -5.6688 -4.6391 -4.6379 -4.6282 -4.6278 -0.0671 -0.0515 -0.0411 -0.0361 0.3248 0.3440 0.5975 0.5996 0.7391 0.7413 0.7478 0.7504 1.2267 1.2275 1.3291 1.3708 2.0095 2.0173 2.0701 2.0859 2.1833 2.1930 2.2446 2.2457 2.5803 2.5806 2.6747 2.7030 2.7231 2.7318 3.7897 3.7935 3.8332 3.8396 5.9595 5.9747 6.1998 6.2092 6.4705 6.4833 6.8828 6.8878 7.6012 7.6184 7.9572 7.9680 7.9902 8.0087 9.6155 9.6317 11.4343 11.4450 11.4531 11.4597 12.8080 12.8374 12.9424 12.9792 k = 0.0556 0.0321-0.0000 ( 4284 PWs) bands (ev): -5.6634 -5.6629 -4.6379 -4.6364 -4.6264 -4.6256 -0.0707 -0.0526 -0.0412 -0.0335 0.3272 0.3509 0.5986 0.6009 0.7381 0.7410 0.7489 0.7521 1.2272 1.2287 1.3273 1.3790 2.0106 2.0203 2.0697 2.0891 2.1819 2.1949 2.2462 2.2483 2.5795 2.5800 2.6719 2.7070 2.7223 2.7331 3.7902 3.7972 3.8370 3.8457 5.9456 5.9627 6.1070 6.1189 6.4679 6.4834 6.9312 6.9375 7.5848 7.6064 7.9306 7.9420 7.9761 8.0000 9.6286 9.6468 11.4731 11.4820 11.4958 11.5046 12.7491 12.7976 12.8879 12.9501 k = 0.0667 0.0385-0.0000 ( 4292 PWs) bands (ev): -5.6563 -5.6558 -4.6366 -4.6347 -4.6240 -4.6228 -0.0743 -0.0539 -0.0414 -0.0309 0.3306 0.3586 0.6000 0.6025 0.7371 0.7409 0.7501 0.7539 1.2277 1.2301 1.3264 1.3877 2.0122 2.0237 2.0697 2.0924 2.1804 2.1972 2.2481 2.2515 2.5786 2.5795 2.6692 2.7107 2.7220 2.7346 3.7906 3.8018 3.8414 3.8534 5.9279 5.9420 6.0141 6.0322 6.4649 6.4829 6.9701 6.9782 7.5646 7.5907 7.9001 7.9113 7.9620 7.9901 9.6473 9.6666 11.5166 11.5241 11.5466 11.5566 12.6814 12.7476 12.8310 12.9194 k = 0.0778 0.0449-0.0000 ( 4296 PWs) bands (ev): -5.6480 -5.6474 -4.6352 -4.6329 -4.6210 -4.6193 -0.0778 -0.0553 -0.0418 -0.0284 0.3350 0.3672 0.6017 0.6042 0.7363 0.7409 0.7514 0.7558 1.2282 1.2318 1.3262 1.3968 2.0142 2.0275 2.0700 2.0959 2.1788 2.2000 2.2501 2.2552 2.5775 2.5789 2.6666 2.7135 2.7227 2.7363 3.7908 3.8072 3.8466 3.8626 5.8916 5.8966 5.9336 5.9698 6.4617 6.4819 6.9983 7.0086 7.5404 7.5707 7.8663 7.8778 7.9486 7.9796 9.6724 9.6919 11.5618 11.5715 11.6036 11.6138 12.6087 12.6875 12.7756 12.8868 k = 0.0889 0.0513-0.0000 ( 4300 PWs) bands (ev): -5.6385 -5.6378 -4.6337 -4.6311 -4.6174 -4.6152 -0.0812 -0.0567 -0.0423 -0.0259 0.3404 0.3765 0.6036 0.6060 0.7354 0.7410 0.7527 0.7579 1.2285 1.2336 1.3269 1.4064 2.0167 2.0317 2.0708 2.0994 2.1770 2.2034 2.2522 2.2595 2.5763 2.5782 2.6642 2.7146 2.7250 2.7382 3.7909 3.8132 3.8524 3.8733 5.8066 5.8166 5.8990 5.9394 6.4580 6.4802 7.0151 7.0281 7.5116 7.5456 7.8294 7.8435 7.9365 7.9692 9.7044 9.7234 11.6070 11.6227 11.6641 11.6733 12.5353 12.6212 12.7225 12.8528 k = 0.1000 0.0577-0.0000 ( 4308 PWs) bands (ev): -5.6279 -5.6270 -4.6322 -4.6293 -4.6131 -4.6105 -0.0844 -0.0581 -0.0428 -0.0235 0.3467 0.3866 0.6057 0.6081 0.7347 0.7412 0.7540 0.7601 1.2287 1.2356 1.3283 1.4163 2.0197 2.0362 2.0721 2.1029 2.1752 2.2075 2.2544 2.2641 2.5749 2.5776 2.6620 2.7146 2.7284 2.7406 3.7908 3.8195 3.8589 3.8852 5.7127 5.7241 5.8747 5.9163 6.4539 6.4778 7.0204 7.0366 7.4779 7.5145 7.7908 7.8095 7.9261 7.9594 9.7437 9.7615 11.6506 11.6756 11.7241 11.7309 12.4653 12.5550 12.6716 12.8182 k = 0.1111 0.0642-0.0000 ( 4316 PWs) bands (ev): -5.6160 -5.6151 -4.6306 -4.6274 -4.6084 -4.6053 -0.0875 -0.0594 -0.0433 -0.0212 0.3539 0.3972 0.6078 0.6104 0.7341 0.7416 0.7553 0.7624 1.2289 1.2376 1.3304 1.4264 2.0232 2.0411 2.0738 2.1065 2.1732 2.2122 2.2567 2.2693 2.5735 2.5770 2.6598 2.7140 2.7320 2.7435 3.7905 3.8260 3.8663 3.8983 5.6177 5.6304 5.8497 5.8930 6.4490 6.4745 7.0145 7.0345 7.4389 7.4766 7.7523 7.7762 7.9173 7.9504 9.7902 9.8063 11.6895 11.7283 11.7766 11.7830 12.4041 12.4957 12.6242 12.7851 k = 0.1222 0.0706-0.0000 ( 4316 PWs) bands (ev): -5.6031 -5.6021 -4.6289 -4.6254 -4.6030 -4.5996 -0.0903 -0.0607 -0.0437 -0.0189 0.3619 0.4084 0.6098 0.6131 0.7336 0.7421 0.7567 0.7650 1.2288 1.2396 1.3332 1.4367 2.0271 2.0463 2.0760 2.1100 2.1713 2.2177 2.2591 2.2747 2.5719 2.5765 2.6578 2.7133 2.7355 2.7472 3.7902 3.8325 3.8746 3.9123 5.5233 5.5374 5.8233 5.8685 6.4434 6.4702 6.9981 7.0225 7.3946 7.4314 7.7155 7.7442 7.9098 7.9421 9.8436 9.8577 11.7185 11.7784 11.8097 11.8291 12.3573 12.4487 12.5851 12.7566 k = 0.1333 0.0770-0.0000 ( 4308 PWs) bands (ev): -5.5891 -5.5880 -4.6272 -4.6235 -4.5972 -4.5934 -0.0929 -0.0619 -0.0440 -0.0166 0.3706 0.4201 0.6117 0.6161 0.7332 0.7427 0.7582 0.7678 1.2287 1.2415 1.3367 1.4472 2.0315 2.0517 2.0788 2.1134 2.1693 2.2239 2.2615 2.2806 2.5702 2.5760 2.6559 2.7126 2.7387 2.7515 3.7896 3.8388 3.8838 3.9271 5.4303 5.4456 5.7956 5.8426 6.4367 6.4649 6.9723 7.0016 7.3453 7.3794 7.6814 7.7137 7.9029 7.9342 9.9034 9.9152 11.7295 11.8057 11.8353 11.8661 12.3274 12.4124 12.5661 12.7379 k = 0.1444 0.0834-0.0000 ( 4316 PWs) bands (ev): -5.5742 -5.5730 -4.6254 -4.6215 -4.5908 -4.5868 -0.0953 -0.0631 -0.0441 -0.0144 0.3800 0.4322 0.6135 0.6194 0.7330 0.7435 0.7597 0.7708 1.2283 1.2433 1.3408 1.4576 2.0363 2.0572 2.0823 2.1167 2.1673 2.2309 2.2639 2.2867 2.5685 2.5756 2.6542 2.7120 2.7417 2.7563 3.7887 3.8446 3.8936 3.9424 5.3391 5.3557 5.7667 5.8153 6.4287 6.4583 6.9379 6.9728 7.2918 7.3219 7.6501 7.6848 7.8958 7.9262 9.9686 9.9780 11.7160 11.7841 11.8765 11.8964 12.3086 12.3768 12.5816 12.7363 k = 0.1556 0.0898-0.0000 ( 4320 PWs) bands (ev): -5.5582 -5.5569 -4.6236 -4.6194 -4.5841 -4.5797 -0.0973 -0.0643 -0.0439 -0.0122 0.3899 0.4446 0.6151 0.6230 0.7328 0.7443 0.7614 0.7741 1.2279 1.2448 1.3455 1.4680 2.0415 2.0627 2.0867 2.1199 2.1654 2.2386 2.2664 2.2930 2.5668 2.5752 2.6526 2.7115 2.7446 2.7614 3.7876 3.8500 3.9040 3.9580 5.2501 5.2679 5.7371 5.7871 6.4190 6.4503 6.8959 6.9367 7.2352 7.2607 7.6214 7.6577 7.8881 7.9176 10.0382 10.0451 11.6794 11.7373 11.9130 11.9233 12.2865 12.3388 12.6324 12.7585 k = 0.1667 0.0962-0.0000 ( 4308 PWs) bands (ev): -5.5414 -5.5400 -4.6217 -4.6174 -4.5769 -4.5723 -0.0989 -0.0654 -0.0434 -0.0100 0.4003 0.4571 0.6166 0.6267 0.7328 0.7453 0.7633 0.7777 1.2273 1.2461 1.3506 1.4782 2.0471 2.0680 2.0920 2.1228 2.1636 2.2470 2.2691 2.2996 2.5651 2.5750 2.6511 2.7111 2.7474 2.7668 3.7860 3.8549 3.9147 3.9736 5.1637 5.1829 5.7072 5.7583 6.4071 6.4408 6.8467 6.8939 7.1768 7.1982 7.5949 7.6323 7.8790 7.9080 10.1108 10.1152 11.6274 11.6759 11.9374 11.9491 12.2510 12.3021 12.7078 12.8059 k = 0.1778 0.1026-0.0000 ( 4320 PWs) bands (ev): -5.5238 -5.5223 -4.6198 -4.6153 -4.5694 -4.5646 -0.1003 -0.0664 -0.0426 -0.0077 0.4110 0.4697 0.6180 0.6307 0.7330 0.7463 0.7655 0.7818 1.2265 1.2470 1.3561 1.4881 2.0530 2.0732 2.0983 2.1256 2.1620 2.2560 2.2720 2.3063 2.5634 2.5749 2.6499 2.7110 2.7504 2.7722 3.7838 3.8591 3.9251 3.9888 5.0804 5.1008 5.6774 5.7293 6.3926 6.4294 6.7905 6.8444 7.1182 7.1370 7.5702 7.6083 7.8683 7.8969 10.1850 10.1867 11.5674 11.6077 11.9501 11.9688 12.2074 12.2638 12.7980 12.8733 k = 0.1889 0.1091-0.0000 ( 4320 PWs) bands (ev): -5.5054 -5.5038 -4.6179 -4.6132 -4.5615 -4.5565 -0.1013 -0.0674 -0.0415 -0.0054 0.4219 0.4822 0.6192 0.6348 0.7333 0.7475 0.7680 0.7862 1.2256 1.2476 1.3620 1.4977 2.0592 2.0780 2.1057 2.1282 2.1606 2.2652 2.2757 2.3131 2.5618 2.5748 2.6488 2.7110 2.7534 2.7776 3.7810 3.8627 3.9350 4.0033 5.0005 5.0222 5.6483 5.7008 6.3747 6.4160 6.7278 6.7884 7.0612 7.0791 7.5472 7.5858 7.8556 7.8843 10.2577 10.2593 11.5045 11.5382 11.9523 11.9758 12.1648 12.2218 12.8952 12.9538 k = 0.2000 0.1155-0.0000 ( 4324 PWs) bands (ev): -5.4863 -5.4846 -4.6160 -4.6112 -4.5534 -4.5482 -0.1019 -0.0683 -0.0400 -0.0031 0.4329 0.4944 0.6202 0.6391 0.7337 0.7487 0.7711 0.7912 1.2245 1.2478 1.3681 1.5069 2.0656 2.0827 2.1137 2.1306 2.1595 2.2729 2.2818 2.3200 2.5603 2.5749 2.6479 2.7114 2.7565 2.7829 3.7773 3.8656 3.9440 4.0167 4.9244 4.9475 5.6205 5.6732 6.3525 6.4002 6.6588 6.7266 7.0077 7.0255 7.5254 7.5645 7.8408 7.8700 10.3266 10.3312 11.4418 11.4715 11.9431 11.9659 12.1294 12.1775 12.9906 13.0431 k = 0.2111 0.1219-0.0000 ( 4322 PWs) bands (ev): -5.4666 -5.4648 -4.6140 -4.6091 -4.5450 -4.5397 -0.1022 -0.0690 -0.0382 -0.0006 0.4437 0.5061 0.6211 0.6435 0.7343 0.7499 0.7747 0.7968 1.2232 1.2477 1.3744 1.5156 2.0720 2.0873 2.1217 2.1337 2.1588 2.2781 2.2915 2.3269 2.5589 2.5751 2.6473 2.7120 2.7597 2.7881 3.7728 3.8675 3.9514 4.0284 4.8526 4.8771 5.5946 5.6471 6.3247 6.3816 6.5847 6.6606 6.9591 6.9767 7.5048 7.5443 7.8238 7.8539 10.3909 10.3985 11.3816 11.4106 11.9221 11.9385 12.1026 12.1328 13.0725 13.1411 k = 0.2222 0.1283-0.0000 ( 4318 PWs) bands (ev): -5.4463 -5.4445 -4.6121 -4.6071 -4.5364 -4.5310 -0.1021 -0.0697 -0.0361 0.0019 0.4543 0.5173 0.6217 0.6479 0.7350 0.7512 0.7792 0.8031 1.2218 1.2471 1.3808 1.5237 2.0783 2.0919 2.1274 2.1394 2.1586 2.2824 2.3031 2.3338 2.5577 2.5755 2.6471 2.7131 2.7629 2.7932 3.7671 3.8685 3.9569 4.0382 4.7855 4.8116 5.5709 5.6230 6.2897 6.3591 6.5072 6.5929 6.9156 6.9329 7.4853 7.5250 7.8048 7.8362 10.4479 10.4586 11.3260 11.3579 11.8889 11.9000 12.0771 12.0923 13.1341 13.2445 k = 0.2333 0.1347-0.0000 ( 4320 PWs) bands (ev): -5.4257 -5.4238 -4.6102 -4.6051 -4.5276 -4.5222 -0.1017 -0.0701 -0.0337 0.0045 0.4644 0.5276 0.6222 0.6523 0.7359 0.7524 0.7845 0.8102 1.2203 1.2461 1.3873 1.5311 2.0844 2.0963 2.1296 2.1489 2.1588 2.2870 2.3156 2.3407 2.5568 2.5760 2.6472 2.7145 2.7661 2.7980 3.7602 3.8682 3.9599 4.0454 4.7234 4.7514 5.5500 5.6014 6.2455 6.3296 6.4301 6.5269 6.8772 6.8940 7.4668 7.5066 7.7837 7.8168 10.4952 10.5083 11.2778 11.3141 11.8450 11.8575 12.0382 12.0651 13.1747 13.3441 k = 0.2444 0.1411-0.0000 ( 4312 PWs) bands (ev): -5.4047 -5.4027 -4.6083 -4.6032 -4.5187 -4.5133 -0.1009 -0.0704 -0.0310 0.0071 0.4739 0.5371 0.6224 0.6567 0.7368 0.7537 0.7910 0.8181 1.2186 1.2448 1.3938 1.5378 2.0902 2.1007 2.1302 2.1590 2.1605 2.2922 2.3285 2.3476 2.5562 2.5766 2.6478 2.7165 2.7693 2.8025 3.7520 3.8665 3.9601 4.0496 4.6670 4.6968 5.5322 5.5826 6.1904 6.2837 6.3642 6.4656 6.8433 6.8599 7.4492 7.4890 7.7609 7.7960 10.5303 10.5444 11.2392 11.2794 11.7960 11.8122 11.9938 12.0402 13.1978 13.3894 k = 0.2556 0.1475-0.0000 ( 4312 PWs) bands (ev): -5.3834 -5.3813 -4.6065 -4.6013 -4.5098 -4.5043 -0.0998 -0.0705 -0.0280 0.0099 0.4825 0.5455 0.6225 0.6608 0.7379 0.7550 0.7986 0.8270 1.2167 1.2431 1.4001 1.5437 2.0955 2.1047 2.1303 2.1601 2.1727 2.2982 2.3412 2.3552 2.5562 2.5775 2.6489 2.7190 2.7725 2.8068 3.7424 3.8633 3.9570 4.0505 4.6163 4.6483 5.5176 5.5670 6.1242 6.2127 6.3191 6.4108 6.8132 6.8304 7.4324 7.4720 7.7363 7.7740 10.5514 10.5646 11.2113 11.2531 11.7460 11.7656 11.9480 12.0125 13.2088 13.3753 k = 0.2667 0.1540-0.0000 ( 4322 PWs) bands (ev): -5.3620 -5.3598 -4.6047 -4.5995 -4.5008 -4.4954 -0.0983 -0.0704 -0.0248 0.0127 0.4903 0.5527 0.6224 0.6645 0.7391 0.7562 0.8075 0.8368 1.2147 1.2410 1.4064 1.5488 2.1003 2.1081 2.1301 2.1610 2.1858 2.3052 2.3522 2.3644 2.5567 2.5785 2.6507 2.7223 2.7756 2.8107 3.7314 3.8582 3.9506 4.0479 4.5718 4.6058 5.5062 5.5546 6.0489 6.1282 6.2845 6.3620 6.7867 6.8052 7.4165 7.4555 7.7104 7.7508 10.5579 10.5686 11.1926 11.2334 11.6966 11.7201 11.9011 11.9818 13.2129 13.3617 k = 0.2778 0.1604-0.0000 ( 4336 PWs) bands (ev): -5.3405 -5.3383 -4.6029 -4.5977 -4.4918 -4.4865 -0.0966 -0.0701 -0.0214 0.0155 0.4970 0.5589 0.6222 0.6678 0.7404 0.7573 0.8177 0.8475 1.2125 1.2386 1.4125 1.5530 2.1043 2.1108 2.1301 2.1620 2.1995 2.3130 2.3604 2.3764 2.5582 2.5799 2.6533 2.7264 2.7787 2.8144 3.7191 3.8509 3.9412 4.0418 4.5332 4.5693 5.4977 5.5454 5.9671 6.0398 6.2524 6.3176 6.7633 6.7839 7.4014 7.4396 7.6833 7.7269 10.5496 10.5589 11.1793 11.2180 11.6483 11.6785 11.8537 11.9489 13.2144 13.3553 k = 0.2889 0.1668-0.0000 ( 4340 PWs) bands (ev): -5.3191 -5.3168 -4.6012 -4.5960 -4.4829 -4.4777 -0.0946 -0.0696 -0.0178 0.0185 0.5027 0.5639 0.6219 0.6706 0.7418 0.7584 0.8291 0.8591 1.2103 1.2360 1.4184 1.5564 2.1069 2.1134 2.1304 2.1628 2.2136 2.3218 2.3667 2.3895 2.5608 2.5816 2.6569 2.7316 2.7817 2.8176 3.7055 3.8410 3.9292 4.0325 4.5003 4.5382 5.4913 5.5392 5.8817 5.9512 6.2206 6.2763 6.7431 6.7663 7.3871 7.4241 7.6554 7.7023 10.5270 10.5397 11.1654 11.2053 11.6013 11.6423 11.8063 11.9147 13.2167 13.3583 k = 0.3000 0.1732-0.0000 ( 4342 PWs) bands (ev): -5.2978 -5.2955 -4.5995 -4.5944 -4.4742 -4.4690 -0.0923 -0.0689 -0.0140 0.0214 0.5073 0.5677 0.6216 0.6727 0.7433 0.7595 0.8415 0.8715 1.2079 1.2330 1.4240 1.5588 2.1073 2.1165 2.1311 2.1633 2.2279 2.3313 2.3722 2.4025 2.5650 2.5837 2.6618 2.7380 2.7847 2.8205 3.6909 3.8283 3.9155 4.0204 4.4723 4.5118 5.4856 5.5358 5.7950 5.8650 6.1887 6.2370 6.7259 6.7520 7.3735 7.4091 7.6269 7.6773 10.4934 10.5124 11.1460 11.1943 11.5558 11.6117 11.7595 11.8802 13.2222 13.3716 k = 0.3111 0.1796-0.0000 ( 4348 PWs) bands (ev): -5.2768 -5.2745 -4.5979 -4.5928 -4.4656 -4.4605 -0.0898 -0.0680 -0.0100 0.0244 0.5110 0.5705 0.6212 0.6742 0.7448 0.7604 0.8549 0.8845 1.2055 1.2299 1.4295 1.5603 2.1060 2.1200 2.1320 2.1636 2.2422 2.3413 2.3771 2.4144 2.5706 2.5864 2.6685 2.7457 2.7877 2.8231 3.6756 3.8125 3.9013 4.0060 4.4484 4.4889 5.4782 5.5345 5.7093 5.7842 6.1567 6.1991 6.7116 6.7407 7.3607 7.3944 7.5983 7.6523 10.4525 10.4779 11.1208 11.1827 11.5117 11.5852 11.7139 11.8459 13.2326 13.3953 k = 0.3222 0.1860-0.0000 ( 4348 PWs) bands (ev): -5.2562 -5.2539 -4.5963 -4.5913 -4.4572 -4.4523 -0.0871 -0.0669 -0.0060 0.0274 0.5137 0.5721 0.6209 0.6750 0.7464 0.7613 0.8689 0.8980 1.2030 1.2267 1.4347 1.5610 2.1036 2.1233 2.1329 2.1635 2.2564 2.3515 2.3816 2.4246 2.5773 2.5903 2.6777 2.7551 2.7909 2.8254 3.6599 3.7937 3.8874 3.9901 4.4273 4.4682 5.4650 5.5338 5.6271 5.7132 6.1249 6.1624 6.7003 6.7325 7.3486 7.3801 7.5698 7.6274 10.4063 10.4368 11.0918 11.1689 11.4692 11.5605 11.6702 11.8121 13.2482 13.4293 k = 0.3333 0.1925-0.0000 ( 4348 PWs) bands (ev): -5.2361 -5.2338 -4.5948 -4.5899 -4.4490 -4.4443 -0.0843 -0.0656 -0.0018 0.0303 0.5156 0.5728 0.6206 0.6753 0.7480 0.7621 0.8835 0.9116 1.2005 1.2233 1.4396 1.5608 2.1005 2.1259 2.1341 2.1632 2.2701 2.3615 2.3859 2.4329 2.5838 2.5961 2.6901 2.7659 2.7947 2.8276 3.6441 3.7725 3.8742 3.9732 4.4077 4.4483 5.4401 5.5219 5.5612 5.6581 6.0936 6.1270 6.6921 6.7273 7.3373 7.3661 7.5417 7.6029 10.3561 10.3901 11.0620 11.1527 11.4284 11.5353 11.6290 11.7786 13.2687 13.4727 k = 0.3444 0.1989-0.0000 ( 4348 PWs) bands (ev): -5.2167 -5.2143 -4.5933 -4.5886 -4.4412 -4.4367 -0.0813 -0.0641 0.0025 0.0332 0.5169 0.5725 0.6205 0.6750 0.7495 0.7628 0.8983 0.9253 1.1980 1.2198 1.4444 1.5597 2.0970 2.1270 2.1359 2.1628 2.2831 2.3708 2.3899 2.4393 2.5889 2.6038 2.7068 2.7772 2.8001 2.8302 3.6287 3.7496 3.8619 3.9558 4.3880 4.4277 5.4001 5.4614 5.5496 5.6227 6.0631 6.0929 6.6871 6.7251 7.3267 7.3526 7.5143 7.5790 10.3029 10.3383 11.0337 11.1348 11.3891 11.5079 11.5910 11.7454 13.2926 13.5245 k = 0.3556 0.2053-0.0000 ( 4356 PWs) bands (ev): -5.1979 -5.1955 -4.5919 -4.5873 -4.4337 -4.4294 -0.0783 -0.0625 0.0067 0.0360 0.5175 0.5714 0.6205 0.6743 0.7510 0.7634 0.9131 0.9388 1.1955 1.2163 1.4489 1.5579 2.0933 2.1267 2.1385 2.1623 2.2953 2.3792 2.3937 2.4443 2.5932 2.6119 2.7281 2.7869 2.8087 2.8345 3.6139 3.7261 3.8503 3.9382 4.3668 4.4049 5.3496 5.3937 5.5514 5.6033 6.0335 6.0602 6.6853 6.7259 7.3168 7.3394 7.4879 7.5559 10.2473 10.2824 11.0086 11.1163 11.3517 11.4774 11.5564 11.7122 13.3183 13.5829 k = 0.3667 0.2117-0.0000 ( 4352 PWs) bands (ev): -5.1800 -5.1777 -4.5906 -4.5862 -4.4265 -4.4225 -0.0752 -0.0608 0.0111 0.0387 0.5178 0.5695 0.6206 0.6730 0.7525 0.7639 0.9277 0.9518 1.1932 1.2129 1.4532 1.5554 2.0894 2.1250 2.1413 2.1618 2.3063 2.3862 2.3973 2.4482 2.5972 2.6192 2.7536 2.7941 2.8180 2.8450 3.6000 3.7026 3.8395 3.9209 4.3428 4.3787 5.2967 5.3314 5.5538 5.5926 6.0053 6.0293 6.6870 6.7296 7.3077 7.3267 7.4627 7.5337 10.1901 10.2234 10.9878 11.0986 11.3162 11.4445 11.5247 11.6790 13.3441 13.6454 k = 0.3778 0.2181-0.0000 ( 4350 PWs) bands (ev): -5.1630 -5.1608 -4.5893 -4.5851 -4.4198 -4.4161 -0.0721 -0.0590 0.0153 0.0413 0.5177 0.5670 0.6209 0.6714 0.7539 0.7643 0.9419 0.9643 1.1909 1.2095 1.4574 1.5522 2.0856 2.1224 2.1442 2.1614 2.3163 2.3913 2.4010 2.4514 2.6012 2.6253 2.7784 2.8042 2.8235 2.8654 3.5872 3.6798 3.8294 3.9039 4.3149 4.3479 5.2476 5.2765 5.5553 5.5853 5.9785 6.0001 6.6921 6.7363 7.2992 7.3146 7.4389 7.5124 10.1319 10.1623 10.9717 11.0824 11.2829 11.4102 11.4953 11.6457 13.3684 13.6834 k = 0.3889 0.2245-0.0000 ( 4354 PWs) bands (ev): -5.1471 -5.1449 -4.5880 -4.5841 -4.4136 -4.4101 -0.0690 -0.0572 0.0196 0.0437 0.5175 0.5639 0.6214 0.6694 0.7552 0.7647 0.9554 0.9760 1.1889 1.2062 1.4615 1.5485 2.0820 2.1190 2.1469 2.1612 2.3250 2.3942 2.4054 2.4542 2.6051 2.6301 2.7908 2.8198 2.8364 2.8932 3.5757 3.6581 3.8198 3.8874 4.2822 4.3120 5.2054 5.2301 5.5550 5.5787 5.9535 5.9731 6.7005 6.7457 7.2914 7.3032 7.4168 7.4922 10.0737 10.1005 10.9604 11.0684 11.2519 11.3754 11.4678 11.6127 13.3904 13.6683 k = 0.4000 0.2309-0.0000 ( 4342 PWs) bands (ev): -5.1323 -5.1303 -4.5868 -4.5831 -4.4078 -4.4046 -0.0660 -0.0554 0.0237 0.0458 0.5172 0.5604 0.6221 0.6671 0.7564 0.7649 0.9682 0.9868 1.1870 1.2031 1.4654 1.5443 2.0786 2.1150 2.1494 2.1611 2.3327 2.3950 2.4103 2.4566 2.6090 2.6338 2.7956 2.8225 2.8718 2.9259 3.5656 3.6379 3.8106 3.8713 4.2446 4.2710 5.1715 5.1926 5.5527 5.5713 5.9305 5.9482 6.7119 6.7574 7.2840 7.2928 7.3965 7.4731 10.0165 10.0394 10.9539 11.0570 11.2233 11.3410 11.4423 11.5801 13.4095 13.6494 k = 0.4111 0.2374-0.0000 ( 4350 PWs) bands (ev): -5.1188 -5.1169 -4.5857 -4.5823 -4.4026 -4.3997 -0.0631 -0.0538 0.0277 0.0477 0.5169 0.5566 0.6230 0.6645 0.7576 0.7651 0.9801 0.9966 1.1854 1.2000 1.4693 1.5398 2.0757 2.1105 2.1517 2.1611 2.3393 2.3944 2.4156 2.4584 2.6128 2.6366 2.7986 2.8227 2.9135 2.9624 3.5569 3.6193 3.8016 3.8555 4.2026 4.2257 5.1461 5.1638 5.5483 5.5627 5.9095 5.9256 6.7260 6.7708 7.2766 7.2837 7.3785 7.4550 9.9612 9.9803 10.9516 11.0483 11.1972 11.3072 11.4190 11.5483 13.4258 13.6304 k = 0.4222 0.2438-0.0000 ( 4352 PWs) bands (ev): -5.1067 -5.1049 -4.5847 -4.5816 -4.3978 -4.3953 -0.0604 -0.0522 0.0316 0.0494 0.5168 0.5525 0.6242 0.6616 0.7586 0.7652 0.9909 1.0053 1.1840 1.1972 1.4731 1.5350 2.0733 2.1056 2.1538 2.1613 2.3450 2.3928 2.4208 2.4597 2.6165 2.6386 2.8011 2.8223 2.9581 3.0017 3.5497 3.6024 3.7925 3.8397 4.1575 4.1776 5.1284 5.1431 5.5420 5.5527 5.8908 5.9055 6.7421 6.7853 7.2689 7.2763 7.3629 7.4379 9.9090 9.9244 10.9533 11.0421 11.1736 11.2744 11.3986 11.5176 13.4398 13.6122 k = 0.4333 0.2502-0.0000 ( 4356 PWs) bands (ev): -5.0960 -5.0944 -4.5837 -4.5810 -4.3937 -4.3915 -0.0579 -0.0508 0.0352 0.0507 0.5169 0.5483 0.6256 0.6586 0.7596 0.7652 1.0005 1.0128 1.1830 1.1945 1.4769 1.5301 2.0714 2.1006 2.1556 2.1614 2.3501 2.3906 2.4260 2.4603 2.6200 2.6399 2.8033 2.8217 3.0042 3.0428 3.5439 3.5875 3.7830 3.8236 4.1112 4.1287 5.1175 5.1293 5.5341 5.5417 5.8746 5.8877 6.7595 6.8000 7.2613 7.2699 7.3503 7.4217 9.8609 9.8731 10.9586 11.0382 11.1527 11.2427 11.3815 11.4884 13.4518 13.5948 k = 0.4444 0.2566-0.0000 ( 4368 PWs) bands (ev): -5.0867 -5.0854 -4.5828 -4.5806 -4.3901 -4.3883 -0.0555 -0.0496 0.0386 0.0516 0.5174 0.5441 0.6273 0.6555 0.7604 0.7651 1.0089 1.0191 1.1822 1.1920 1.4807 1.5250 2.0702 2.0956 2.1571 2.1616 2.3545 2.3879 2.4310 2.4603 2.6234 2.6405 2.8054 2.8207 3.0505 3.0843 3.5395 3.5743 3.7726 3.8065 4.0663 4.0815 5.1118 5.1210 5.5252 5.5304 5.8609 5.8724 6.7774 6.8140 7.2545 7.2639 7.3411 7.4065 9.8182 9.8275 10.9669 11.0362 11.1345 11.2123 11.3682 11.4611 13.4625 13.5784 k = 0.4556 0.2630-0.0000 ( 4368 PWs) bands (ev): -5.0791 -5.0779 -4.5821 -4.5802 -4.3871 -4.3856 -0.0535 -0.0487 0.0417 0.0522 0.5182 0.5399 0.6293 0.6523 0.7612 0.7649 1.0161 1.0242 1.1818 1.1898 1.4845 1.5200 2.0697 2.0907 2.1584 2.1618 2.3585 2.3850 2.4357 2.4596 2.6265 2.6406 2.8073 2.8197 3.0955 3.1243 3.5364 3.5631 3.7609 3.7883 4.0259 4.0388 5.1099 5.1168 5.5162 5.5195 5.8498 5.8595 6.7949 6.8262 7.2487 7.2581 7.3356 7.3922 9.7817 9.7885 10.9778 11.0358 11.1191 11.1836 11.3590 11.4361 13.4724 13.5630 k = 0.4667 0.2694-0.0000 ( 4360 PWs) bands (ev): -5.0730 -5.0721 -4.5814 -4.5800 -4.3847 -4.3836 -0.0517 -0.0481 0.0444 0.0524 0.5194 0.5360 0.6315 0.6490 0.7619 0.7647 1.0218 1.0279 1.1817 1.1878 1.4885 1.5151 2.0700 2.0861 2.1594 2.1618 2.3623 2.3819 2.4402 2.4583 2.6294 2.6402 2.8092 2.8185 3.1370 3.1603 3.5345 3.5538 3.7482 3.7690 3.9928 4.0031 5.1103 5.1153 5.5079 5.5098 5.8415 5.8491 6.8109 6.8358 7.2444 7.2525 7.3338 7.3789 9.7523 9.7571 10.9906 11.0362 11.1069 11.1570 11.3542 11.4137 13.4820 13.5488 k = 0.4778 0.2758-0.0000 ( 4360 PWs) bands (ev): -5.0686 -5.0680 -4.5808 -4.5799 -4.3830 -4.3822 -0.0502 -0.0478 0.0468 0.0521 0.5211 0.5322 0.6340 0.6458 0.7625 0.7644 1.0263 1.0303 1.1819 1.1860 1.4925 1.5103 2.0710 2.0819 2.1603 2.1618 2.3658 2.3788 2.4443 2.4565 2.6320 2.6393 2.8110 2.8172 3.1723 3.1889 3.5338 3.5464 3.7361 3.7503 3.9692 3.9764 5.1119 5.1151 5.5011 5.5021 5.8360 5.8412 6.8245 6.8419 7.2416 7.2475 7.3354 7.3668 9.7310 9.7340 11.0044 11.0363 11.0986 11.1333 11.3537 11.3943 13.4916 13.5356 k = 0.4889 0.2823-0.0000 ( 4364 PWs) bands (ev): -5.0659 -5.0656 -4.5804 -4.5799 -4.3819 -4.3815 -0.0491 -0.0479 0.0487 0.0514 0.5232 0.5288 0.6367 0.6426 0.7631 0.7640 1.0293 1.0314 1.1825 1.1845 1.4967 1.5056 2.0727 2.0782 2.1609 2.1617 2.3691 2.3756 2.4480 2.4541 2.6343 2.6380 2.8127 2.8158 3.1976 3.2064 3.5345 3.5407 3.7279 3.7352 3.9559 3.9596 5.1136 5.1151 5.4967 5.4971 5.8332 5.8359 6.8350 6.8439 7.2405 7.2436 7.3399 7.3561 9.7182 9.7196 11.0177 11.0344 11.0959 11.1139 11.3578 11.3783 13.5016 13.5234 k = 0.5000 0.2887-0.0000 ( 4362 PWs) bands (ev): -5.0649 -5.0649 -4.5801 -4.5801 -4.3814 -4.3814 -0.0483 -0.0483 0.0503 0.0503 0.5258 0.5258 0.6396 0.6396 0.7636 0.7636 1.0310 1.0310 1.1833 1.1833 1.5011 1.5011 2.0752 2.0752 2.1614 2.1614 2.3724 2.3724 2.4513 2.4513 2.6363 2.6363 2.8143 2.8143 3.2096 3.2096 3.5368 3.5368 3.7271 3.7271 3.9528 3.9528 5.1147 5.1147 5.4953 5.4953 5.8332 5.8332 6.8416 6.8416 7.2412 7.2412 7.3470 7.3470 9.7143 9.7143 11.0283 11.0283 11.1009 11.1009 11.3660 11.3660 13.5121 13.5121 k = 0.5000 0.2887-0.0000 ( 4362 PWs) bands (ev): -5.0649 -5.0649 -4.5801 -4.5801 -4.3814 -4.3814 -0.0483 -0.0483 0.0503 0.0503 0.5258 0.5258 0.6396 0.6396 0.7636 0.7636 1.0310 1.0310 1.1833 1.1833 1.5011 1.5011 2.0752 2.0752 2.1614 2.1614 2.3724 2.3724 2.4513 2.4513 2.6363 2.6363 2.8143 2.8143 3.2096 3.2096 3.5368 3.5368 3.7271 3.7271 3.9528 3.9528 5.1147 5.1147 5.4953 5.4953 5.8332 5.8332 6.8416 6.8416 7.2412 7.2412 7.3470 7.3470 9.7143 9.7143 11.0283 11.0283 11.1009 11.1009 11.3660 11.3660 13.5121 13.5121 k = 0.4936 0.2998-0.0000 ( 4358 PWs) bands (ev): -5.0646 -5.0645 -4.5800 -4.5797 -4.3817 -4.3814 -0.0484 -0.0482 0.0470 0.0534 0.5261 0.5267 0.6378 0.6416 0.7615 0.7661 1.0300 1.0315 1.1802 1.1871 1.5000 1.5022 2.0752 2.0752 2.1599 2.1631 2.3718 2.3733 2.4497 2.4532 2.6354 2.6372 2.8130 2.8147 3.2074 3.2103 3.5367 3.5378 3.7267 3.7291 3.9542 3.9548 5.1154 5.1156 5.4668 5.4798 5.8459 5.8614 6.8399 6.8426 7.2343 7.2379 7.3398 7.3461 9.7139 9.7186 11.0332 11.0365 11.1021 11.1049 11.3651 11.3737 13.4900 13.5153 k = 0.4872 0.3109-0.0000 ( 4354 PWs) bands (ev): -5.0637 -5.0637 -4.5794 -4.5789 -4.3824 -4.3817 -0.0485 -0.0482 0.0434 0.0563 0.5276 0.5289 0.6363 0.6439 0.7598 0.7688 1.0284 1.0314 1.1776 1.1915 1.4989 1.5033 2.0752 2.0753 2.1586 2.1650 2.3715 2.3746 2.4484 2.4554 2.6343 2.6380 2.8109 2.8144 3.2037 3.2094 3.5375 3.5395 3.7278 3.7326 3.9590 3.9601 5.1172 5.1179 5.4086 5.4289 5.8909 5.9163 6.8374 6.8430 7.2177 7.2245 7.3250 7.3373 9.7176 9.7265 11.0500 11.0579 11.1088 11.1124 11.3715 11.3893 13.4504 13.4992 k = 0.4808 0.3220-0.0000 ( 4358 PWs) bands (ev): -5.0623 -5.0622 -4.5784 -4.5776 -4.3835 -4.3824 -0.0486 -0.0481 0.0397 0.0590 0.5303 0.5322 0.6351 0.6464 0.7584 0.7719 1.0264 1.0307 1.1757 1.1964 1.4980 1.5044 2.0753 2.0755 2.1575 2.1671 2.3714 2.3762 2.4473 2.4578 2.6331 2.6388 2.8080 2.8133 3.1986 3.2068 3.5391 3.5421 3.7304 3.7374 3.9673 3.9687 5.1196 5.1215 5.3361 5.3607 5.9504 5.9820 6.8341 6.8428 7.1922 7.2016 7.3036 7.3210 9.7253 9.7379 11.0744 11.0916 11.1204 11.1226 11.3873 11.4151 13.3957 13.4648 k = 0.4744 0.3331-0.0000 ( 4354 PWs) bands (ev): -5.0603 -5.0602 -4.5769 -4.5758 -4.3850 -4.3835 -0.0488 -0.0481 0.0359 0.0614 0.5341 0.5366 0.6343 0.6489 0.7574 0.7752 1.0238 1.0294 1.1743 1.2018 1.4971 1.5054 2.0753 2.0758 2.1566 2.1696 2.3716 2.3783 2.4466 2.4606 2.6318 2.6397 2.8045 2.8117 3.1922 3.2028 3.5418 3.5455 3.7343 3.7435 3.9792 3.9806 5.1205 5.1256 5.2580 5.2873 6.0134 6.0499 6.8297 6.8420 7.1592 7.1702 7.2769 7.2983 9.7371 9.7526 11.0930 11.1244 11.1376 11.1523 11.4152 11.4538 13.3287 13.4143 k = 0.4679 0.3442-0.0000 ( 4358 PWs) bands (ev): -5.0578 -5.0577 -4.5749 -4.5736 -4.3867 -4.3849 -0.0489 -0.0482 0.0319 0.0636 0.5391 0.5421 0.6338 0.6515 0.7569 0.7788 1.0208 1.0274 1.1736 1.2077 1.4963 1.5065 2.0753 2.0762 2.1560 2.1722 2.3718 2.3806 2.4461 2.4636 2.6304 2.6406 2.8002 2.8094 3.1844 3.1971 3.5455 3.5496 3.7394 3.7505 3.9945 3.9957 5.1123 5.1256 5.1825 5.2206 6.0739 6.1152 6.8239 6.8408 7.1207 7.1316 7.2467 7.2705 9.7530 9.7705 11.0974 11.1243 11.1921 11.2020 11.4574 11.5068 13.2524 13.3505 k = 0.4615 0.3553-0.0000 ( 4354 PWs) bands (ev): -5.0548 -5.0547 -4.5725 -4.5709 -4.3888 -4.3867 -0.0490 -0.0482 0.0278 0.0657 0.5452 0.5485 0.6338 0.6541 0.7567 0.7826 1.0173 1.0248 1.1735 1.2140 1.4956 1.5074 2.0752 2.0767 2.1557 2.1752 2.3722 2.3833 2.4459 2.4668 2.6290 2.6418 2.7955 2.8068 3.1754 3.1900 3.5502 3.5546 3.7454 3.7584 4.0133 4.0139 5.0739 5.0808 5.1517 5.1840 6.1279 6.1743 6.8163 6.8393 7.0792 7.0877 7.2149 7.2394 9.7729 9.7913 11.0913 11.1173 11.2550 11.2644 11.5142 11.5740 13.1700 13.2770 k = 0.4551 0.3664-0.0000 ( 4362 PWs) bands (ev): -5.0514 -5.0512 -4.5697 -4.5678 -4.3913 -4.3888 -0.0491 -0.0482 0.0236 0.0675 0.5523 0.5558 0.6342 0.6567 0.7570 0.7865 1.0133 1.0215 1.1739 1.2206 1.4951 1.5084 2.0750 2.0772 2.1559 2.1786 2.3726 2.3863 2.4460 2.4702 2.6276 2.6431 2.7903 2.8038 3.1653 3.1814 3.5560 3.5604 3.7524 3.7671 4.0351 4.0355 5.0026 5.0057 5.1553 5.1778 6.1718 6.2236 6.8064 6.8379 7.0384 7.0407 7.1839 7.2069 9.7966 9.8151 11.0773 11.1040 11.3235 11.3347 11.5847 11.6539 13.0847 13.1977 k = 0.4487 0.3775-0.0000 ( 4362 PWs) bands (ev): -5.0475 -5.0472 -4.5664 -4.5643 -4.3940 -4.3912 -0.0492 -0.0482 0.0195 0.0691 0.5603 0.5637 0.6352 0.6592 0.7578 0.7906 1.0090 1.0176 1.1747 1.2276 1.4947 1.5092 2.0748 2.0777 2.1565 2.1822 2.3729 2.3895 2.4464 2.4737 2.6262 2.6447 2.7848 2.8007 3.1540 3.1714 3.5629 3.5672 3.7601 3.7765 4.0591 4.0608 4.9224 4.9291 5.1622 5.1814 6.2021 6.2592 6.7933 6.8369 6.9932 7.0027 7.1560 7.1750 9.8239 9.8417 11.0572 11.0853 11.3949 11.4089 11.6668 11.7448 13.0003 13.1166 k = 0.4423 0.3886-0.0000 ( 4358 PWs) bands (ev): -5.0431 -5.0429 -4.5628 -4.5605 -4.3971 -4.3939 -0.0492 -0.0482 0.0153 0.0705 0.5692 0.5721 0.6369 0.6615 0.7589 0.7948 1.0042 1.0130 1.1760 1.2348 1.4946 1.5100 2.0744 2.0781 2.1577 2.1862 2.3732 2.3928 2.4471 2.4772 2.6251 2.6467 2.7792 2.7975 3.1416 3.1599 3.5711 3.5748 3.7687 3.7866 4.0856 4.0889 4.8435 4.8516 5.1691 5.1873 6.2154 6.2769 6.7760 6.8352 6.9493 6.9770 7.1334 7.1457 9.8548 9.8711 11.0319 11.0618 11.4657 11.4825 11.7589 11.8449 12.9211 13.0381 k = 0.4359 0.3997-0.0000 ( 4370 PWs) bands (ev): -5.0385 -5.0382 -4.5589 -4.5563 -4.4004 -4.3969 -0.0492 -0.0482 0.0112 0.0718 0.5787 0.5806 0.6395 0.6637 0.7605 0.7991 0.9990 1.0078 1.1776 1.2422 1.4946 1.5107 2.0739 2.0785 2.1595 2.1906 2.3734 2.3962 2.4480 2.4807 2.6243 2.6491 2.7737 2.7942 3.1280 3.1470 3.5804 3.5835 3.7779 3.7974 4.1142 4.1195 4.7671 4.7756 5.1753 5.1932 6.2099 6.2739 6.7541 6.8266 6.9174 6.9650 7.1177 7.1207 9.8890 9.9033 11.0024 11.0343 11.5314 11.5502 11.8594 11.9523 12.8523 12.9674 k = 0.4295 0.4108-0.0000 ( 4360 PWs) bands (ev): -5.0335 -5.0332 -4.5546 -4.5517 -4.4040 -4.4002 -0.0491 -0.0481 0.0071 0.0730 0.5888 0.5889 0.6432 0.6658 0.7624 0.8034 0.9935 1.0020 1.1796 1.2496 1.4949 1.5114 2.0733 2.0787 2.1620 2.1952 2.3734 2.3996 2.4493 2.4841 2.6240 2.6520 2.7683 2.7911 3.1132 3.1327 3.5909 3.5932 3.7880 3.8091 4.1446 4.1521 4.6936 4.7022 5.1799 5.1980 6.1856 6.2497 6.7284 6.8021 6.9077 6.9667 7.1014 7.1097 9.9263 9.9382 10.9694 11.0033 11.5869 11.6052 11.9670 12.0656 12.8004 12.9101 k = 0.4231 0.4219-0.0000 ( 4356 PWs) bands (ev): -5.0283 -5.0280 -4.5500 -4.5469 -4.4078 -4.4037 -0.0489 -0.0480 0.0031 0.0740 0.5966 0.5992 0.6483 0.6679 0.7647 0.8077 0.9876 0.9956 1.1817 1.2571 1.4954 1.5119 2.0726 2.0787 2.1653 2.2000 2.3732 2.4029 2.4508 2.4873 2.6244 2.6554 2.7632 2.7881 3.0972 3.1170 3.6027 3.6038 3.7989 3.8216 4.1761 4.1861 4.6238 4.6322 5.1824 5.2009 6.1449 6.2068 6.7005 6.7665 6.9145 6.9785 7.0892 7.1098 9.9666 9.9758 10.9338 10.9695 11.6262 11.6405 12.0804 12.1832 12.7720 12.8722 k = 0.4167 0.4330-0.0000 ( 4358 PWs) bands (ev): -5.0230 -5.0226 -4.5451 -4.5418 -4.4119 -4.4074 -0.0487 -0.0478 -0.0008 0.0749 0.6033 0.6098 0.6551 0.6700 0.7672 0.8118 0.9814 0.9886 1.1839 1.2645 1.4960 1.5123 2.0719 2.0785 2.1694 2.2050 2.3729 2.4060 2.4526 2.4902 2.6257 2.6594 2.7586 2.7853 3.0801 3.1000 3.6155 3.6156 3.8107 3.8351 4.2079 4.2209 4.5583 4.5664 5.1825 5.2015 6.0909 6.1493 6.6723 6.7291 6.9274 6.9945 7.0856 7.1174 10.0096 10.0159 10.8962 10.9335 11.6439 11.6502 12.1986 12.3037 12.7722 12.8591 k = 0.4103 0.4441-0.0000 ( 4358 PWs) bands (ev): -5.0175 -5.0172 -4.5400 -4.5365 -4.4161 -4.4114 -0.0483 -0.0475 -0.0045 0.0758 0.6088 0.6200 0.6637 0.6726 0.7699 0.8159 0.9749 0.9812 1.1862 1.2717 1.4969 1.5126 2.0711 2.0781 2.1743 2.2102 2.3722 2.4088 2.4546 2.4927 2.6280 2.6641 2.7545 2.7828 3.0618 3.0817 3.6282 3.6296 3.8233 3.8496 4.2389 4.2553 4.4981 4.5059 5.1798 5.1993 6.0271 6.0814 6.6453 6.6940 6.9416 7.0086 7.0924 7.1312 10.0550 10.0584 10.8572 10.8962 11.6329 11.6374 12.3205 12.4256 12.8022 12.8733 k = 0.4038 0.4552-0.0000 ( 4362 PWs) bands (ev): -5.0120 -5.0116 -4.5347 -4.5310 -4.4206 -4.4155 -0.0479 -0.0472 -0.0081 0.0765 0.6132 0.6293 0.6737 0.6760 0.7726 0.8197 0.9683 0.9734 1.1885 1.2787 1.4979 1.5128 2.0703 2.0775 2.1799 2.2153 2.3713 2.4113 2.4568 2.4949 2.6316 2.6695 2.7510 2.7804 3.0425 3.0623 3.6417 3.6446 3.8369 3.8651 4.2665 4.2866 4.4453 4.4530 5.1744 5.1945 5.9567 6.0067 6.6207 6.6630 6.9556 7.0181 7.1087 7.1493 10.1026 10.1031 10.8176 10.8581 11.5917 11.6075 12.4448 12.5477 12.8581 12.9135 k = 0.3974 0.4663-0.0000 ( 4356 PWs) bands (ev): -5.0065 -5.0062 -4.5293 -4.5253 -4.4251 -4.4198 -0.0474 -0.0469 -0.0115 0.0772 0.6168 0.6372 0.6807 0.6849 0.7754 0.8233 0.9615 0.9652 1.1908 1.2854 1.4990 1.5128 2.0695 2.0767 2.1862 2.2203 2.3701 2.4134 2.4593 2.4966 2.6366 2.6756 2.7482 2.7783 3.0223 3.0419 3.6560 3.6603 3.8514 3.8817 4.2840 4.3066 4.4078 4.4138 5.1665 5.1872 5.8821 5.9279 6.5995 6.6366 6.9693 7.0246 7.1300 7.1693 10.1499 10.1521 10.7782 10.8202 11.5325 11.5582 12.5702 12.6685 12.9336 12.9750 k = 0.3910 0.4774-0.0000 ( 4360 PWs) bands (ev): -5.0012 -5.0008 -4.5237 -4.5196 -4.4299 -4.4243 -0.0468 -0.0464 -0.0147 0.0778 0.6198 0.6429 0.6873 0.6967 0.7780 0.8264 0.9547 0.9569 1.1930 1.2917 1.5002 1.5126 2.0688 2.0758 2.1930 2.2251 2.3686 2.4151 2.4620 2.4979 2.6430 2.6824 2.7460 2.7765 3.0013 3.0207 3.6709 3.6767 3.8668 3.8993 4.2788 4.2973 4.4004 4.4030 5.1570 5.1783 5.8056 5.8471 6.5822 6.6152 6.9830 7.0307 7.1519 7.1892 10.1984 10.2029 10.7397 10.7833 11.4614 11.4949 12.6954 12.7867 13.0220 13.0516 k = 0.3846 0.4885-0.0000 ( 4356 PWs) bands (ev): -4.9961 -4.9957 -4.5180 -4.5137 -4.4347 -4.4288 -0.0461 -0.0459 -0.0177 0.0784 0.6224 0.6464 0.6957 0.7090 0.7803 0.8290 0.9480 0.9485 1.1950 1.2975 1.5015 1.5123 2.0681 2.0748 2.2002 2.2296 2.3668 2.4164 2.4650 2.4987 2.6510 2.6898 2.7446 2.7749 2.9798 2.9990 3.6861 3.6932 3.8831 3.9179 4.2515 4.2658 4.4113 4.4227 5.1470 5.1687 5.7288 5.7661 6.5689 6.5986 6.9973 7.0377 7.1717 7.2073 10.2482 10.2545 10.7032 10.7487 11.3833 11.4224 12.8187 12.9007 13.1174 13.1373 k = 0.3782 0.4996-0.0000 ( 4350 PWs) bands (ev): -4.9912 -4.9909 -4.5123 -4.5079 -4.4396 -4.4335 -0.0454 -0.0453 -0.0205 0.0789 0.6248 0.6482 0.7054 0.7213 0.7823 0.8309 0.9404 0.9415 1.1969 1.3028 1.5027 1.5118 2.0675 2.0737 2.2077 2.2336 2.3647 2.4173 2.4683 2.4992 2.6604 2.6978 2.7439 2.7735 2.9582 2.9770 3.7014 3.7097 3.9000 3.9374 4.2170 4.2312 4.4306 4.4469 5.1379 5.1599 5.6532 5.6861 6.5596 6.5862 7.0128 7.0460 7.1877 7.2224 10.2986 10.3059 10.6695 10.7178 11.3019 11.3446 12.9386 13.0091 13.2150 13.2267 k = 0.3718 0.5107-0.0000 ( 4346 PWs) bands (ev): -4.9867 -4.9864 -4.5066 -4.5021 -4.4446 -4.4382 -0.0448 -0.0445 -0.0231 0.0793 0.6271 0.6487 0.7156 0.7334 0.7837 0.8319 0.9329 0.9353 1.1985 1.3075 1.5039 1.5112 2.0669 2.0725 2.2151 2.2372 2.3625 2.4178 2.4717 2.4992 2.6710 2.7061 2.7441 2.7725 2.9368 2.9550 3.7164 3.7254 3.9174 3.9576 4.1827 4.1992 4.4500 4.4688 5.1317 5.1536 5.5801 5.6085 6.5537 6.5774 7.0296 7.0560 7.1990 7.2335 10.3485 10.3554 10.6402 10.6926 11.2201 11.2647 13.0530 13.1100 13.3108 13.3151 k = 0.3654 0.5218-0.0000 ( 4352 PWs) bands (ev): -4.9827 -4.9824 -4.5009 -4.4963 -4.4496 -4.4429 -0.0442 -0.0436 -0.0255 0.0797 0.6292 0.6485 0.7259 0.7450 0.7843 0.8317 0.9262 0.9298 1.2000 1.3115 1.5050 1.5105 2.0665 2.0714 2.2222 2.2401 2.3602 2.4181 2.4754 2.4989 2.6825 2.7142 2.7453 2.7720 2.9161 2.9335 3.7306 3.7399 3.9348 3.9780 4.1510 4.1714 4.4663 4.4857 5.1300 5.1512 5.5108 5.5346 6.5509 6.5715 7.0481 7.0677 7.2050 7.2401 10.3959 10.4002 10.6176 10.6764 11.1401 11.1849 13.1597 13.2014 13.3987 13.4011 k = 0.3590 0.5329-0.0000 ( 4360 PWs) bands (ev): -4.9792 -4.9790 -4.4953 -4.4907 -4.4546 -4.4475 -0.0435 -0.0427 -0.0277 0.0800 0.6314 0.6476 0.7358 0.7559 0.7842 0.8301 0.9208 0.9249 1.2011 1.3148 1.5060 1.5098 2.0662 2.0703 2.2289 2.2424 2.3579 2.4182 2.4790 2.4983 2.6944 2.7211 2.7479 2.7722 2.8969 2.9129 3.7436 3.7524 3.9517 3.9983 4.1228 4.1486 4.4782 4.4965 5.1345 5.1542 5.4466 5.4655 6.5504 6.5676 7.0681 7.0811 7.2054 7.2418 10.4360 10.4363 10.6060 10.6738 11.0637 11.1070 13.2555 13.2813 13.4745 13.4828 k = 0.3526 0.5440-0.0000 ( 4358 PWs) bands (ev): -4.9764 -4.9762 -4.4898 -4.4854 -4.4596 -4.4521 -0.0429 -0.0419 -0.0295 0.0803 0.6336 0.6462 0.7451 0.7657 0.7833 0.8271 0.9169 0.9209 1.2021 1.3175 1.5068 1.5091 2.0661 2.0693 2.2347 2.2439 2.3558 2.4182 2.4826 2.4972 2.7059 2.7261 2.7518 2.7734 2.8802 2.8939 3.7549 3.7625 3.9673 4.0175 4.0987 4.1312 4.4857 4.5012 5.1455 5.1629 5.3890 5.4027 6.5515 6.5650 7.0895 7.0962 7.2000 7.2388 10.4586 10.4626 10.6117 10.6891 10.9931 11.0325 13.3366 13.3475 13.5404 13.5531 k = 0.3462 0.5551-0.0000 ( 4362 PWs) bands (ev): -4.9742 -4.9741 -4.4845 -4.4805 -4.4646 -4.4564 -0.0423 -0.0412 -0.0310 0.0805 0.6358 0.6446 0.7532 0.7738 0.7816 0.8232 0.9146 0.9178 1.2027 1.3193 1.5074 1.5085 2.0661 2.0683 2.2394 2.2448 2.3542 2.4182 2.4861 2.4958 2.7158 2.7288 2.7564 2.7758 2.8672 2.8773 3.7639 3.7694 3.9802 4.0346 4.0791 4.1193 4.4895 4.5007 5.1624 5.1768 5.3400 5.3484 6.5536 6.5630 7.1115 7.1127 7.1888 7.2315 10.4685 10.4724 10.6353 10.7213 10.9314 10.9630 13.3979 13.3981 13.5953 13.6098 k = 0.3397 0.5662-0.0000 ( 4362 PWs) bands (ev): -4.9729 -4.9728 -4.4793 -4.4765 -4.4695 -4.4600 -0.0417 -0.0409 -0.0320 0.0806 0.6381 0.6426 0.7595 0.7791 0.7799 0.8197 0.9139 0.9156 1.2031 1.3204 1.5077 1.5080 2.0664 2.0675 2.2427 2.2449 2.3531 2.4182 2.4891 2.4940 2.7232 2.7294 2.7597 2.7789 2.8596 2.8648 3.7702 3.7730 3.9887 4.0479 4.0649 4.1131 4.4914 4.4972 5.1811 5.1923 5.3037 5.3070 6.5562 6.5611 7.1305 7.1322 7.1720 7.2218 10.4711 10.4729 10.6638 10.7630 10.8850 10.9017 13.4308 13.4351 13.6395 13.6512 k = 0.3333 0.5774-0.0000 ( 4350 PWs) bands (ev): -4.9724 -4.9724 -4.4747 -4.4747 -4.4741 -4.4616 -0.0411 -0.0411 -0.0323 0.0807 0.6404 0.6404 0.7620 0.7800 0.7800 0.8182 0.9143 0.9143 1.2033 1.3208 1.5079 1.5079 2.0668 2.0668 2.2444 2.2444 2.3527 2.4182 2.4918 2.4918 2.7276 2.7276 2.7607 2.7805 2.8586 2.8586 3.7733 3.7733 3.9916 4.0563 4.0563 4.1115 4.4935 4.4935 5.1907 5.2002 5.2895 5.2895 6.5589 6.5589 7.1453 7.1453 7.1540 7.2159 10.4717 10.4717 10.6773 10.7912 10.8671 10.8671 13.4447 13.4447 13.6716 13.6765 k = 0.3333 0.5774-0.0000 ( 4350 PWs) bands (ev): -4.9724 -4.9724 -4.4747 -4.4747 -4.4741 -4.4616 -0.0411 -0.0411 -0.0323 0.0807 0.6404 0.6404 0.7620 0.7800 0.7800 0.8182 0.9143 0.9143 1.2033 1.3208 1.5079 1.5079 2.0668 2.0668 2.2444 2.2444 2.3527 2.4182 2.4918 2.4918 2.7276 2.7276 2.7607 2.7805 2.8586 2.8586 3.7733 3.7733 3.9916 4.0563 4.0563 4.1115 4.4935 4.4935 5.1907 5.2002 5.2895 5.2895 6.5589 6.5589 7.1453 7.1453 7.1540 7.2159 10.4717 10.4717 10.6773 10.7912 10.8671 10.8671 13.4447 13.4447 13.6716 13.6765 k = 0.3269 0.5662-0.0000 ( 4358 PWs) bands (ev): -4.9729 -4.9728 -4.4793 -4.4763 -4.4698 -4.4601 -0.0419 -0.0407 -0.0320 0.0806 0.6379 0.6427 0.7598 0.7760 0.7829 0.8195 0.9137 0.9157 1.2031 1.3205 1.5077 1.5080 2.0664 2.0675 2.2433 2.2444 2.3531 2.4182 2.4892 2.4939 2.7233 2.7294 2.7602 2.7784 2.8605 2.8635 3.7705 3.7728 3.9894 4.0519 4.0603 4.1119 4.4924 4.4978 5.1821 5.1936 5.3037 5.3044 6.5560 6.5611 7.1212 7.1401 7.1707 7.2246 10.4722 10.4733 10.6643 10.7630 10.8858 10.8991 13.4291 13.4379 13.6312 13.6865 k = 0.3205 0.5551-0.0000 ( 4358 PWs) bands (ev): -4.9744 -4.9742 -4.4840 -4.4797 -4.4655 -4.4569 -0.0430 -0.0403 -0.0313 0.0805 0.6353 0.6451 0.7547 0.7686 0.7870 0.8227 0.9135 0.9176 1.2028 1.3194 1.5073 1.5086 2.0661 2.0685 2.2416 2.2427 2.3540 2.4180 2.4862 2.4956 2.7163 2.7288 2.7596 2.7732 2.8694 2.8726 3.7653 3.7687 3.9849 4.0483 4.0608 4.1112 4.4966 4.5063 5.1682 5.1833 5.3351 5.3387 6.5525 6.5627 7.0892 7.1183 7.1915 7.2461 10.4760 10.4778 10.6365 10.7200 10.9284 10.9550 13.3944 13.4100 13.5957 13.6845 k = 0.3141 0.5440-0.0000 ( 4362 PWs) bands (ev): -4.9770 -4.9767 -4.4887 -4.4839 -4.4615 -4.4534 -0.0444 -0.0401 -0.0303 0.0802 0.6325 0.6475 0.7482 0.7594 0.7909 0.8263 0.9136 0.9200 1.2022 1.3178 1.5067 1.5096 2.0661 2.0697 2.2394 2.2396 2.3552 2.4177 2.4830 2.4967 2.7076 2.7260 2.7597 2.7671 2.8820 2.8839 3.7582 3.7613 3.9799 4.0435 4.0582 4.1080 4.5076 4.5201 5.1593 5.1781 5.3742 5.3812 6.5480 6.5636 7.0529 7.0880 7.2128 7.2728 10.4834 10.4858 10.6068 10.6805 10.9814 11.0155 13.3465 13.3646 13.5668 13.6738 k = 0.3077 0.5329-0.0000 ( 4354 PWs) bands (ev): -4.9807 -4.9802 -4.4933 -4.4882 -4.4579 -4.4500 -0.0459 -0.0399 -0.0292 0.0798 0.6296 0.6499 0.7411 0.7494 0.7943 0.8295 0.9138 0.9224 1.2013 1.3157 1.5057 1.5110 2.0664 2.0711 2.2351 2.2367 2.3565 2.4169 2.4797 2.4973 2.6979 2.7210 2.7604 2.7624 2.8959 2.8959 3.7502 3.7512 3.9748 4.0376 4.0516 4.1034 4.5257 4.5394 5.1589 5.1806 5.4175 5.4279 6.5428 6.5636 7.0130 7.0524 7.2346 7.3013 10.4938 10.4978 10.5816 10.6472 11.0389 11.0776 13.2898 13.3071 13.5412 13.6565 k = 0.3013 0.5218-0.0000 ( 4350 PWs) bands (ev): -4.9855 -4.9849 -4.4978 -4.4926 -4.4546 -4.4469 -0.0475 -0.0399 -0.0281 0.0793 0.6265 0.6523 0.7336 0.7391 0.7969 0.8321 0.9138 0.9248 1.2004 1.3132 1.5044 1.5129 2.0670 2.0729 2.2297 2.2337 2.3574 2.4157 2.4763 2.4976 2.6881 2.7140 2.7596 2.7616 2.9075 2.9093 3.7392 3.7418 3.9687 4.0324 4.0399 4.0997 4.5502 4.5640 5.1676 5.1911 5.4633 5.4771 6.5368 6.5627 6.9702 7.0134 7.2565 7.3305 10.5051 10.5135 10.5651 10.6211 11.0985 11.1403 13.2269 13.2421 13.5162 13.6345 k = 0.2949 0.5107-0.0000 ( 4338 PWs) bands (ev): -4.9914 -4.9907 -4.5022 -4.4970 -4.4519 -4.4442 -0.0492 -0.0401 -0.0270 0.0786 0.6233 0.6545 0.7259 0.7290 0.7987 0.8338 0.9135 0.9270 1.1992 1.3104 1.5029 1.5152 2.0680 2.0749 2.2234 2.2303 2.3577 2.4139 2.4731 2.4977 2.6785 2.7058 2.7585 2.7630 2.9178 2.9208 3.7264 3.7341 3.9602 4.0234 4.0303 4.0983 4.5800 4.5932 5.1853 5.2094 5.5108 5.5278 6.5302 6.5609 6.9254 6.9720 7.2784 7.3598 10.5115 10.5321 10.5638 10.6030 11.1589 11.2028 13.1598 13.1724 13.4908 13.6089 k = 0.2885 0.4996-0.0000 ( 4342 PWs) bands (ev): -4.9985 -4.9977 -4.5066 -4.5014 -4.4495 -4.4419 -0.0509 -0.0404 -0.0259 0.0777 0.6199 0.6564 0.7183 0.7194 0.7998 0.8347 0.9127 0.9289 1.1980 1.3073 1.5010 1.5178 2.0692 2.0772 2.2165 2.2267 2.3571 2.4113 2.4702 2.4976 2.6693 2.6970 2.7587 2.7644 2.9262 2.9296 3.7139 3.7276 3.9487 4.0038 4.0330 4.0997 4.6139 4.6262 5.2112 5.2350 5.5594 5.5795 6.5232 6.5583 6.8791 6.9290 7.3003 7.3887 10.5112 10.5506 10.5796 10.5959 11.2196 11.2649 13.0895 13.0996 13.4647 13.5806 k = 0.2821 0.4885-0.0000 ( 4340 PWs) bands (ev): -5.0068 -5.0058 -4.5109 -4.5057 -4.4477 -4.4401 -0.0528 -0.0408 -0.0250 0.0766 0.6165 0.6579 0.7107 0.7109 0.8002 0.8348 0.9114 0.9303 1.1968 1.3042 1.4988 1.5208 2.0709 2.0798 2.2092 2.2228 2.3554 2.4080 2.4677 2.4974 2.6605 2.6880 2.7598 2.7658 2.9320 2.9348 3.7028 3.7233 3.9351 3.9827 4.0406 4.1037 4.6509 4.6622 5.2445 5.2669 5.6085 5.6317 6.5159 6.5550 6.8325 6.8855 7.3221 7.4171 10.5110 10.5617 10.6052 10.6065 11.2798 11.3261 13.0169 13.0246 13.4381 13.5505 k = 0.2756 0.4774-0.0000 ( 4334 PWs) bands (ev): -5.0163 -5.0151 -4.5152 -4.5101 -4.4463 -4.4388 -0.0547 -0.0414 -0.0242 0.0754 0.6129 0.6586 0.7031 0.7037 0.8000 0.8340 0.9094 0.9310 1.1956 1.3010 1.4962 1.5240 2.0728 2.0826 2.2016 2.2188 2.3525 2.4040 2.4658 2.4972 2.6520 2.6792 2.7615 2.7669 2.9349 2.9359 3.6938 3.7217 3.9209 3.9615 4.0523 4.1104 4.6901 4.7002 5.2842 5.3044 5.6580 5.6841 6.5086 6.5509 6.7863 6.8424 7.3438 7.4449 10.5147 10.5670 10.6328 10.6365 11.3394 11.3861 12.9426 12.9481 13.4111 13.5190 k = 0.2692 0.4663-0.0000 ( 4338 PWs) bands (ev): -5.0269 -5.0256 -4.5194 -4.5144 -4.4455 -4.4380 -0.0567 -0.0421 -0.0235 0.0740 0.6093 0.6580 0.6969 0.6973 0.7991 0.8324 0.9068 0.9311 1.1945 1.2978 1.4933 1.5274 2.0751 2.0856 2.1939 2.2146 2.3484 2.3991 2.4644 2.4970 2.6439 2.6706 2.7635 2.7677 2.9326 2.9348 3.6875 3.7231 3.9073 3.9414 4.0677 4.1197 4.7308 4.7398 5.3293 5.3465 5.7075 5.7365 6.5015 6.5462 6.7416 6.8006 7.3655 7.4719 10.5232 10.5742 10.6662 10.6717 11.3979 11.4446 12.8674 12.8709 13.3842 13.4867 k = 0.2628 0.4552-0.0000 ( 4338 PWs) bands (ev): -5.0387 -5.0373 -4.5236 -4.5187 -4.4451 -4.4377 -0.0588 -0.0430 -0.0230 0.0723 0.6055 0.6559 0.6905 0.6935 0.7976 0.8299 0.9035 0.9304 1.1936 1.2948 1.4901 1.5309 2.0778 2.0889 2.1861 2.2103 2.3431 2.3936 2.4635 2.4966 2.6360 2.6623 2.7657 2.7679 2.9252 2.9320 3.6842 3.7274 3.8952 3.9230 4.0864 4.1317 4.7723 4.7802 5.3787 5.3921 5.7569 5.7888 6.4949 6.5407 6.6999 6.7613 7.3873 7.4983 10.5364 10.5856 10.7037 10.7101 11.4549 11.5013 12.7916 12.7933 13.3575 13.4539 k = 0.2564 0.4441-0.0000 ( 4350 PWs) bands (ev): -5.0516 -5.0500 -4.5278 -4.5230 -4.4453 -4.4379 -0.0610 -0.0440 -0.0227 0.0704 0.6017 0.6523 0.6845 0.6919 0.7957 0.8268 0.8996 0.9289 1.1929 1.2918 1.4866 1.5344 2.0806 2.0923 2.1783 2.2059 2.3367 2.3874 2.4628 2.4960 2.6282 2.6543 2.7675 2.7680 2.9138 2.9267 3.6837 3.7344 3.8854 3.9073 4.1078 4.1464 4.8142 4.8209 5.4313 5.4405 5.8060 5.8409 6.4891 6.5341 6.6624 6.7254 7.4092 7.5239 10.5541 10.6012 10.7442 10.7510 11.5101 11.5557 12.7160 12.7161 13.3314 13.4212 k = 0.2500 0.4330-0.0000 ( 4346 PWs) bands (ev): -5.0655 -5.0638 -4.5319 -4.5273 -4.4461 -4.4387 -0.0633 -0.0451 -0.0227 0.0683 0.5979 0.6475 0.6789 0.6917 0.7933 0.8228 0.8950 0.9265 1.1924 1.2890 1.4827 1.5380 2.0837 2.0959 2.1707 2.2014 2.3293 2.3806 2.4623 2.4951 2.6206 2.6467 2.7662 2.7701 2.8992 2.9195 3.6859 3.7432 3.8784 3.8948 4.1318 4.1637 4.8560 4.8614 5.4862 5.4905 5.8548 5.8926 6.4843 6.5261 6.6310 6.6941 7.4313 7.5489 10.5758 10.6209 10.7870 10.7939 11.5630 11.6074 12.6397 12.6413 13.3060 13.3890 k = 0.2436 0.4219-0.0000 ( 4352 PWs) bands (ev): -5.0805 -5.0787 -4.5360 -4.5316 -4.4473 -4.4400 -0.0656 -0.0463 -0.0228 0.0660 0.5939 0.6423 0.6738 0.6926 0.7905 0.8182 0.8897 0.9232 1.1924 1.2864 1.4785 1.5414 2.0870 2.0997 2.1632 2.1969 2.3211 2.3734 2.4617 2.4937 2.6131 2.6396 2.7640 2.7718 2.8822 2.9112 3.6902 3.7528 3.8745 3.8866 4.1579 4.1834 4.8974 4.9014 5.5412 5.5422 5.9032 5.9440 6.4809 6.5167 6.6072 6.6685 7.4537 7.5732 10.6009 10.6440 10.8314 10.8381 11.6129 11.6557 12.5653 12.5684 13.2817 13.3579 k = 0.2372 0.4108-0.0000 ( 4340 PWs) bands (ev): -5.0964 -5.0945 -4.5402 -4.5359 -4.4491 -4.4419 -0.0680 -0.0476 -0.0232 0.0635 0.5899 0.6369 0.6690 0.6939 0.7874 0.8130 0.8839 0.9190 1.1927 1.2840 1.4740 1.5446 2.0903 2.1035 2.1561 2.1923 2.3122 2.3658 2.4610 2.4917 2.6056 2.6328 2.7609 2.7730 2.8637 2.9023 3.6961 3.7616 3.8740 3.8835 4.1858 4.2053 4.9380 4.9404 5.5917 5.5982 5.9512 5.9949 6.4793 6.5068 6.5914 6.6497 7.4763 7.5970 10.6290 10.6701 10.8768 10.8831 11.6590 11.6998 12.4940 12.4984 13.2588 13.3284 k = 0.2308 0.3997-0.0000 ( 4342 PWs) bands (ev): -5.1133 -5.1113 -4.5443 -4.5401 -4.4514 -4.4443 -0.0704 -0.0489 -0.0238 0.0608 0.5857 0.6316 0.6646 0.6955 0.7840 0.8072 0.8777 0.9139 1.1933 1.2817 1.4693 1.5476 2.0937 2.1074 2.1493 2.1877 2.3027 2.3580 2.4598 2.4890 2.5984 2.6265 2.7568 2.7730 2.8449 2.8934 3.7032 3.7685 3.8771 3.8864 4.2151 4.2290 4.9775 4.9783 5.6410 5.6532 5.9988 6.0454 6.4799 6.4992 6.5826 6.6384 7.4992 7.6202 10.6595 10.6985 10.9223 10.9280 11.6998 11.7383 12.4276 12.4332 13.2375 13.3009 k = 0.2244 0.3886-0.0000 ( 4342 PWs) bands (ev): -5.1310 -5.1290 -4.5483 -4.5443 -4.4543 -4.4473 -0.0729 -0.0503 -0.0245 0.0579 0.5814 0.6265 0.6606 0.6970 0.7805 0.8009 0.8710 0.9081 1.1944 1.2796 1.4642 1.5502 2.0969 2.1113 2.1430 2.1830 2.2927 2.3499 2.4580 2.4854 2.5913 2.6207 2.7518 2.7710 2.8273 2.8849 3.7109 3.7728 3.8836 3.8953 4.2451 4.2541 5.0148 5.0160 5.6885 5.7062 6.0460 6.0952 6.4834 6.4971 6.5792 6.6354 7.5224 7.6428 10.6920 10.7289 10.9672 10.9720 11.7336 11.7693 12.3687 12.3752 13.2181 13.2756 k = 0.2179 0.3775-0.0000 ( 4346 PWs) bands (ev): -5.1495 -5.1475 -4.5524 -4.5485 -4.4576 -4.4507 -0.0754 -0.0518 -0.0255 0.0549 0.5768 0.6215 0.6569 0.6983 0.7768 0.7942 0.8641 0.9016 1.1957 1.2777 1.4590 1.5525 2.0999 2.1152 2.1371 2.1784 2.2823 2.3418 2.4555 2.4806 2.5846 2.6153 2.7462 2.7656 2.8131 2.8771 3.7189 3.7751 3.8934 3.9091 4.2757 4.2802 5.0499 5.0532 5.7337 5.7563 6.0925 6.1441 6.4905 6.5030 6.5802 6.6409 7.5457 7.6649 10.7261 10.7608 11.0101 11.0139 11.7579 11.7903 12.3207 12.3278 13.2006 13.2527 k = 0.2115 0.3664-0.0000 ( 4346 PWs) bands (ev): -5.1688 -5.1667 -4.5564 -4.5527 -4.4615 -4.4547 -0.0779 -0.0533 -0.0267 0.0516 0.5719 0.6167 0.6536 0.6994 0.7730 0.7872 0.8569 0.8944 1.1974 1.2759 1.4536 1.5544 2.1025 2.1189 2.1319 2.1738 2.2716 2.3336 2.4521 2.4747 2.5785 2.6104 2.7402 2.7556 2.8039 2.8699 3.7272 3.7763 3.9061 3.9264 4.3062 4.3071 5.0836 5.0892 5.7766 5.8031 6.1380 6.1918 6.5016 6.5182 6.5853 6.6552 7.5690 7.6863 10.7616 10.7939 11.0496 11.0522 11.7703 11.7989 12.2875 12.2945 13.1852 13.2321 k = 0.2051 0.3553-0.0000 ( 4340 PWs) bands (ev): -5.1887 -5.1865 -4.5604 -4.5569 -4.4658 -4.4591 -0.0804 -0.0547 -0.0280 0.0483 0.5666 0.6120 0.6505 0.6999 0.7692 0.7801 0.8496 0.8868 1.1994 1.2742 1.4481 1.5557 2.1044 2.1225 2.1277 2.1692 2.2607 2.3255 2.4477 2.4675 2.5730 2.6058 2.7342 2.7422 2.7989 2.8634 3.7356 3.7770 3.9211 3.9458 4.3344 4.3366 5.1160 5.1241 5.8176 5.8467 6.1820 6.2375 6.5172 6.5426 6.5955 6.6781 7.5922 7.7070 10.7983 10.8279 11.0836 11.0848 11.7697 11.7942 12.2716 12.2781 13.1718 13.2136 k = 0.1987 0.3442-0.0000 ( 4338 PWs) bands (ev): -5.2091 -5.2069 -4.5644 -4.5610 -4.4705 -4.4640 -0.0829 -0.0562 -0.0294 0.0448 0.5608 0.6073 0.6477 0.6997 0.7655 0.7731 0.8423 0.8788 1.2015 1.2726 1.4424 1.5566 2.1050 2.1247 2.1258 2.1646 2.2497 2.3175 2.4422 2.4588 2.5682 2.6017 2.7279 2.7283 2.7961 2.8574 3.7441 3.7779 3.9377 3.9661 4.3621 4.3665 5.1474 5.1580 5.8575 5.8880 6.2235 6.2805 6.5376 6.5735 6.6136 6.7094 7.6151 7.7270 10.8361 10.8628 11.1090 11.1094 11.7588 11.7792 12.2725 12.2782 13.1603 13.1965 k = 0.1923 0.3331-0.0000 ( 4330 PWs) bands (ev): -5.2300 -5.2278 -4.5683 -4.5650 -4.4757 -4.4693 -0.0853 -0.0576 -0.0310 0.0412 0.5544 0.6026 0.6452 0.6987 0.7618 0.7665 0.8351 0.8707 1.2038 1.2711 1.4366 1.5568 2.1041 2.1234 2.1286 2.1601 2.2387 2.3098 2.4357 2.4488 2.5643 2.5980 2.7142 2.7228 2.7941 2.8517 3.7525 3.7792 3.9553 3.9862 4.3903 4.3962 5.1781 5.1912 5.8975 5.9281 6.2616 6.3194 6.5634 6.6048 6.6456 6.7481 7.6374 7.7462 10.8752 10.8983 11.1217 11.1239 11.7432 11.7603 12.2867 12.2919 13.1504 13.1803 k = 0.1859 0.3220-0.0000 ( 4338 PWs) bands (ev): -5.2514 -5.2492 -4.5722 -4.5690 -4.4812 -4.4751 -0.0876 -0.0590 -0.0325 0.0375 0.5474 0.5976 0.6430 0.6965 0.7582 0.7607 0.8281 0.8624 1.2062 1.2696 1.4307 1.5563 2.1017 2.1233 2.1309 2.1557 2.2279 2.3024 2.4283 2.4376 2.5612 2.5946 2.7018 2.7179 2.7924 2.8463 3.7609 3.7809 3.9729 4.0051 4.4194 4.4259 5.2083 5.2240 5.9386 5.9685 6.2954 6.3533 6.5946 6.6349 6.6924 6.7935 7.6591 7.7644 10.9157 10.9343 11.1194 11.1240 11.7299 11.7446 12.3101 12.3149 13.1419 13.1642 k = 0.1795 0.3109-0.0000 ( 4354 PWs) bands (ev): -5.2730 -5.2708 -4.5761 -4.5730 -4.4872 -4.4812 -0.0898 -0.0603 -0.0341 0.0338 0.5397 0.5922 0.6409 0.6931 0.7548 0.7558 0.8214 0.8541 1.2086 1.2682 1.4247 1.5552 2.0986 2.1239 2.1325 2.1516 2.2174 2.2955 2.4201 2.4252 2.5589 2.5916 2.6911 2.7136 2.7906 2.8409 3.7691 3.7830 3.9897 4.0220 4.4501 4.4562 5.2384 5.2566 5.9819 6.0103 6.3246 6.3811 6.6313 6.6683 6.7486 6.8443 7.6799 7.7815 10.9578 10.9694 11.1001 11.1090 11.7245 11.7374 12.3388 12.3433 13.1344 13.1474 k = 0.1731 0.2998-0.0000 ( 4346 PWs) bands (ev): -5.2948 -5.2927 -4.5799 -4.5769 -4.4934 -4.4876 -0.0919 -0.0616 -0.0357 0.0301 0.5313 0.5863 0.6391 0.6886 0.7516 0.7519 0.8150 0.8459 1.2111 1.2668 1.4187 1.5533 2.0951 2.1245 2.1328 2.1481 2.2074 2.2891 2.4113 2.4120 2.5573 2.5888 2.6820 2.7099 2.7886 2.8356 3.7770 3.7853 4.0049 4.0361 4.4829 4.4879 5.2687 5.2894 6.0282 6.0548 6.3492 6.4031 6.6728 6.7070 6.8104 6.8994 7.6996 7.7976 10.9967 11.0010 11.0643 11.0862 11.7293 11.7411 12.3698 12.3735 13.1274 13.1293 k = 0.1667 0.2887-0.0000 ( 4350 PWs) bands (ev): -5.3168 -5.3147 -4.5836 -4.5807 -4.4999 -4.4943 -0.0939 -0.0627 -0.0373 0.0264 0.5223 0.5798 0.6374 0.6830 0.7486 0.7492 0.8089 0.8380 1.2134 1.2654 1.4127 1.5508 2.0914 2.1249 2.1316 2.1454 2.1980 2.2833 2.3982 2.4020 2.5563 2.5863 2.6745 2.7069 2.7864 2.8302 3.7845 3.7879 4.0174 4.0467 4.5188 4.5220 5.2996 5.3226 6.0778 6.1024 6.3700 6.4198 6.7182 6.7507 6.8757 6.9576 7.7182 7.8124 10.9861 11.0075 11.0526 11.0882 11.7439 11.7546 12.4005 12.4030 13.1090 13.1201 k = 0.1603 0.2776-0.0000 ( 4350 PWs) bands (ev): -5.3388 -5.3367 -4.5872 -4.5844 -4.5067 -4.5013 -0.0956 -0.0638 -0.0388 0.0227 0.5126 0.5724 0.6358 0.6768 0.7459 0.7472 0.8033 0.8303 1.2157 1.2640 1.4067 1.5474 2.0877 2.1246 2.1287 2.1436 2.1895 2.2781 2.3842 2.3924 2.5558 2.5841 2.6685 2.7046 2.7840 2.8247 3.7905 3.7915 4.0268 4.0533 4.5585 4.5593 5.3312 5.3564 6.1310 6.1536 6.3876 6.4325 6.7665 6.7982 6.9430 7.0179 7.7354 7.8261 10.9335 10.9457 11.0999 11.1228 11.7659 11.7757 12.4287 12.4294 13.0858 13.1102 k = 0.1538 0.2665-0.0000 ( 4334 PWs) bands (ev): -5.3607 -5.3587 -4.5907 -4.5881 -4.5137 -4.5084 -0.0971 -0.0647 -0.0401 0.0191 0.5023 0.5642 0.6342 0.6704 0.7435 0.7460 0.7981 0.8229 1.2179 1.2626 1.4006 1.5434 2.0839 2.1237 2.1245 2.1424 2.1821 2.2734 2.3701 2.3827 2.5558 2.5821 2.6637 2.7029 2.7813 2.8192 3.7931 3.7979 4.0325 4.0559 4.6007 4.6024 5.3637 5.3910 6.1875 6.2081 6.4029 6.4424 6.8166 6.8484 7.0113 7.0793 7.7513 7.8385 10.8643 10.8735 11.1520 11.1681 11.7931 11.8016 12.4507 12.4525 13.0586 13.0929 k = 0.1474 0.2554-0.0000 ( 4336 PWs) bands (ev): -5.3825 -5.3805 -4.5942 -4.5916 -4.5208 -4.5158 -0.0984 -0.0654 -0.0414 0.0156 0.4916 0.5550 0.6327 0.6640 0.7413 0.7451 0.7933 0.8160 1.2199 1.2611 1.3946 1.5385 2.0799 2.1195 2.1217 2.1411 2.1761 2.2692 2.3562 2.3729 2.5561 2.5804 2.6600 2.7017 2.7784 2.8135 3.7955 3.8035 4.0344 4.0545 4.6466 4.6508 5.3971 5.4264 6.2467 6.2653 6.4170 6.4506 6.8678 6.9003 7.0797 7.1410 7.7658 7.8497 10.7869 10.7949 11.2076 11.2187 11.8232 11.8302 12.4652 12.4703 13.0260 13.0626 k = 0.1410 0.2443-0.0000 ( 4336 PWs) bands (ev): -5.4040 -5.4021 -4.5976 -4.5951 -4.5281 -4.5233 -0.0995 -0.0660 -0.0425 0.0121 0.4804 0.5448 0.6312 0.6579 0.7394 0.7446 0.7889 0.8094 1.2218 1.2595 1.3886 1.5329 2.0759 2.1141 2.1188 2.1397 2.1716 2.2654 2.3428 2.3631 2.5567 2.5789 2.6571 2.7010 2.7754 2.8076 3.7977 3.8084 4.0327 4.0494 4.6975 4.7039 5.4315 5.4626 6.3068 6.3241 6.4316 6.4587 6.9194 6.9529 7.1474 7.2021 7.7789 7.8598 10.7046 10.7121 11.2667 11.2734 11.8545 11.8596 12.4720 12.4810 12.9864 13.0177 k = 0.1346 0.2332-0.0000 ( 4326 PWs) bands (ev): -5.4253 -5.4234 -4.6009 -4.5985 -4.5354 -4.5309 -0.1002 -0.0665 -0.0434 0.0088 0.4690 0.5338 0.6297 0.6521 0.7378 0.7442 0.7848 0.8033 1.2235 1.2579 1.3826 1.5267 2.0717 2.1082 2.1149 2.1380 2.1685 2.2618 2.3301 2.3535 2.5576 2.5776 2.6551 2.7008 2.7723 2.8017 3.7996 3.8124 4.0276 4.0413 4.7533 4.7616 5.4667 5.4995 6.3633 6.3805 6.4509 6.4705 6.9709 7.0057 7.2136 7.2621 7.7909 7.8688 10.6193 10.6268 11.3292 11.3319 11.8853 11.8880 12.4710 12.4845 12.9389 12.9615 k = 0.1282 0.2221-0.0000 ( 4316 PWs) bands (ev): -5.4461 -5.4443 -4.6040 -4.6017 -4.5428 -4.5385 -0.1007 -0.0668 -0.0442 0.0055 0.4574 0.5221 0.6282 0.6467 0.7365 0.7439 0.7811 0.7976 1.2250 1.2561 1.3767 1.5197 2.0674 2.1021 2.1104 2.1360 2.1667 2.2583 2.3182 2.3441 2.5586 2.5766 2.6536 2.7009 2.7691 2.7957 3.8011 3.8156 4.0196 4.0306 4.8140 4.8238 5.5027 5.5370 6.4046 6.4225 6.4862 6.4975 7.0218 7.0581 7.2780 7.3203 7.8017 7.8770 10.5324 10.5402 11.3940 11.3950 11.9138 11.9141 12.4626 12.4814 12.8839 12.8982 k = 0.1218 0.2110-0.0000 ( 4312 PWs) bands (ev): -5.4664 -5.4648 -4.6071 -4.6049 -4.5502 -4.5461 -0.1008 -0.0669 -0.0447 0.0024 0.4457 0.5098 0.6265 0.6417 0.7354 0.7436 0.7778 0.7923 1.2264 1.2544 1.3709 1.5121 2.0629 2.0958 2.1056 2.1338 2.1659 2.2545 2.3075 2.3349 2.5598 2.5758 2.6528 2.7013 2.7659 2.7896 3.8023 3.8179 4.0094 4.0179 4.8793 4.8902 5.5392 5.5748 6.4259 6.4408 6.5418 6.5487 7.0719 7.1098 7.3399 7.3763 7.8116 7.8844 10.4452 10.4533 11.4592 11.4638 11.9356 11.9390 12.4482 12.4726 12.8235 12.8318 k = 0.1154 0.1999-0.0000 ( 4320 PWs) bands (ev): -5.4862 -5.4846 -4.6101 -4.6079 -4.5575 -4.5536 -0.1006 -0.0668 -0.0451 -0.0006 0.4340 0.4971 0.6249 0.6371 0.7345 0.7433 0.7746 0.7875 1.2275 1.2525 1.3653 1.5039 2.0582 2.0894 2.1007 2.1314 2.1657 2.2505 2.2980 2.3260 2.5612 2.5752 2.6523 2.7020 2.7627 2.7834 3.8031 3.8194 3.9974 4.0038 4.9490 4.9606 5.5760 5.6127 6.4376 6.4479 6.6063 6.6109 7.1210 7.1604 7.3990 7.4296 7.8207 7.8913 10.3585 10.3672 11.5267 11.5347 11.9514 11.9579 12.4288 12.4586 12.7616 12.7666 k = 0.1090 0.1887-0.0000 ( 4324 PWs) bands (ev): -5.5054 -5.5039 -4.6129 -4.6108 -4.5647 -4.5611 -0.1001 -0.0665 -0.0453 -0.0034 0.4225 0.4841 0.6231 0.6327 0.7339 0.7431 0.7718 0.7831 1.2285 1.2506 1.3598 1.4952 2.0535 2.0829 2.0960 2.1288 2.1661 2.2459 2.2898 2.3175 2.5627 2.5749 2.6523 2.7030 2.7596 2.7773 3.8035 3.8202 3.9842 3.9886 5.0229 5.0348 5.6128 5.6504 6.4457 6.4515 6.6729 6.6754 7.1689 7.2097 7.4550 7.4800 7.8295 7.8978 10.2733 10.2827 11.5953 11.6066 11.9598 11.9688 12.4048 12.4385 12.7039 12.7085 k = 0.1026 0.1776-0.0000 ( 4340 PWs) bands (ev): -5.5239 -5.5224 -4.6156 -4.6136 -4.5717 -4.5684 -0.0992 -0.0661 -0.0454 -0.0062 0.4113 0.4710 0.6213 0.6287 0.7335 0.7427 0.7691 0.7791 1.2293 1.2486 1.3545 1.4860 2.0487 2.0765 2.0916 2.1260 2.1668 2.2408 2.2829 2.3093 2.5642 2.5747 2.6527 2.7040 2.7565 2.7711 3.8036 3.8202 3.9701 3.9730 5.1005 5.1124 5.6493 5.6875 6.4522 6.4536 6.7387 6.7392 7.2154 7.2574 7.5077 7.5275 7.8380 7.9042 10.1904 10.2007 11.6626 11.6771 11.9599 11.9698 12.3755 12.4100 12.6577 12.6650 k = 0.0962 0.1665-0.0000 ( 4332 PWs) bands (ev): -5.5415 -5.5402 -4.6183 -4.6163 -4.5785 -4.5755 -0.0980 -0.0655 -0.0452 -0.0088 0.4003 0.4580 0.6194 0.6248 0.7333 0.7424 0.7667 0.7755 1.2299 1.2465 1.3494 1.4765 2.0440 2.0701 2.0875 2.1231 2.1678 2.2354 2.2772 2.3014 2.5658 2.5747 2.6533 2.7052 2.7536 2.7650 3.8034 3.8197 3.9557 3.9571 5.1816 5.1933 5.6851 5.7238 6.4551 6.4575 6.8004 6.8016 7.2604 7.3033 7.5571 7.5719 7.8466 7.9106 10.1107 10.1221 11.7243 11.7419 11.9520 11.9604 12.3409 12.3728 12.6298 12.6417 k = 0.0897 0.1554-0.0000 ( 4328 PWs) bands (ev): -5.5583 -5.5571 -4.6207 -4.6188 -4.5851 -4.5823 -0.0965 -0.0647 -0.0450 -0.0114 0.3898 0.4452 0.6175 0.6211 0.7332 0.7421 0.7644 0.7722 1.2304 1.2445 1.3447 1.4667 2.0393 2.0638 2.0839 2.1200 2.1690 2.2298 2.2725 2.2940 2.5674 2.5749 2.6542 2.7065 2.7508 2.7590 3.8030 3.8185 3.9413 3.9414 5.2658 5.2771 5.7199 5.7588 6.4563 6.4622 6.8572 6.8600 7.3039 7.3470 7.6034 7.6137 7.8557 7.9173 10.0350 10.0476 11.7722 11.7928 11.9386 11.9424 12.3072 12.3341 12.6223 12.6385 k = 0.0833 0.1443-0.0000 ( 4324 PWs) bands (ev): -5.5743 -5.5731 -4.6231 -4.6213 -4.5914 -4.5889 -0.0946 -0.0637 -0.0446 -0.0139 0.3799 0.4326 0.6155 0.6177 0.7333 0.7417 0.7622 0.7692 1.2306 1.2424 1.3404 1.4566 2.0348 2.0578 2.0806 2.1168 2.1703 2.2242 2.2684 2.2870 2.5691 2.5752 2.6554 2.7079 2.7482 2.7530 3.8023 3.8168 3.9260 3.9271 5.3528 5.3635 5.7535 5.7923 6.4574 6.4662 6.9080 6.9121 7.3455 7.3884 7.6468 7.6532 7.8653 7.9245 9.9641 9.9779 11.7946 11.8166 11.9191 11.9225 12.2885 12.3085 12.6322 12.6506 k = 0.0769 0.1332-0.0000 ( 4302 PWs) bands (ev): -5.5892 -5.5881 -4.6253 -4.6235 -4.5973 -4.5951 -0.0924 -0.0626 -0.0441 -0.0163 0.3705 0.4203 0.6136 0.6145 0.7335 0.7414 0.7602 0.7665 1.2307 1.2404 1.3365 1.4464 2.0305 2.0520 2.0778 2.1134 2.1717 2.2190 2.2649 2.2804 2.5707 2.5756 2.6568 2.7092 2.7457 2.7472 3.8014 3.8147 3.9113 3.9134 5.4422 5.4523 5.7854 5.8239 6.4585 6.4697 6.9509 6.9560 7.3851 7.4272 7.6879 7.6911 7.8759 7.9322 9.8987 9.9139 11.7862 11.8060 11.8888 11.8989 12.2997 12.3116 12.6548 12.6733 k = 0.0705 0.1221-0.0000 ( 4298 PWs) bands (ev): -5.6032 -5.6022 -4.6275 -4.6257 -4.6029 -4.6010 -0.0899 -0.0614 -0.0436 -0.0187 0.3618 0.4085 0.6114 0.6116 0.7338 0.7411 0.7583 0.7640 1.2306 1.2383 1.3332 1.4362 2.0265 2.0464 2.0755 2.1100 2.1732 2.2141 2.2616 2.2743 2.5723 2.5762 2.6584 2.7105 2.7416 2.7434 3.8004 3.8123 3.8973 3.9005 5.5338 5.5429 5.8156 5.8534 6.4596 6.4728 6.9844 6.9899 7.4224 7.4630 7.7272 7.7280 7.8875 7.9405 9.8394 9.8560 11.7562 11.7717 11.8440 11.8589 12.3421 12.3471 12.6859 12.7029 k = 0.0641 0.1110-0.0000 ( 4296 PWs) bands (ev): -5.6161 -5.6152 -4.6295 -4.6277 -4.6081 -4.6064 -0.0872 -0.0600 -0.0430 -0.0211 0.3538 0.3973 0.6086 0.6096 0.7343 0.7409 0.7566 0.7616 1.2304 1.2364 1.3304 1.4261 2.0228 2.0412 2.0735 2.1065 2.1747 2.2097 2.2587 2.2686 2.5738 2.5768 2.6602 2.7117 2.7362 2.7413 3.7993 3.8095 3.8844 3.8885 5.6270 5.6350 5.8437 5.8807 6.4609 6.4754 7.0068 7.0125 7.4571 7.4957 7.7647 7.7651 7.9004 7.9495 9.7868 9.8047 11.7151 11.7261 11.7866 11.8041 12.4053 12.4061 12.7224 12.7368 k = 0.0577 0.0999-0.0000 ( 4298 PWs) bands (ev): -5.6279 -5.6271 -4.6314 -4.6297 -4.6127 -4.6114 -0.0842 -0.0586 -0.0425 -0.0235 0.3466 0.3866 0.6061 0.6077 0.7349 0.7407 0.7549 0.7595 1.2300 1.2345 1.3283 1.4160 2.0195 2.0362 2.0719 2.1029 2.1762 2.2057 2.2559 2.2635 2.5752 2.5774 2.6622 2.7127 2.7312 2.7394 3.7981 3.8066 3.8726 3.8774 5.7214 5.7279 5.8699 5.9059 6.4624 6.4777 7.0169 7.0224 7.4890 7.5250 7.8012 7.8021 7.9145 7.9592 9.7412 9.7602 11.6687 11.6757 11.7231 11.7417 12.4777 12.4788 12.7620 12.7733 k = 0.0513 0.0888-0.0000 ( 4302 PWs) bands (ev): -5.6386 -5.6379 -4.6332 -4.6315 -4.6169 -4.6159 -0.0810 -0.0571 -0.0420 -0.0259 0.3403 0.3765 0.6038 0.6059 0.7356 0.7406 0.7533 0.7575 1.2295 1.2327 1.3269 1.4062 2.0166 2.0317 2.0708 2.0994 2.1778 2.2023 2.2532 2.2588 2.5765 2.5781 2.6644 2.7132 2.7269 2.7376 3.7968 3.8035 3.8620 3.8675 5.8159 5.8198 5.8945 5.9301 6.4640 6.4794 7.0142 7.0194 7.5178 7.5507 7.8375 7.8380 7.9297 7.9693 9.7028 9.7226 11.6202 11.6235 11.6589 11.6773 12.5543 12.5558 12.8031 12.8110 k = 0.0449 0.0777-0.0000 ( 4296 PWs) bands (ev): -5.6481 -5.6474 -4.6348 -4.6332 -4.6206 -4.6198 -0.0777 -0.0556 -0.0416 -0.0284 0.3350 0.3672 0.6018 0.6041 0.7364 0.7406 0.7518 0.7555 1.2289 1.2311 1.3262 1.3967 2.0141 2.0275 2.0700 2.0958 2.1793 2.1994 2.2508 2.2547 2.5777 2.5787 2.6667 2.7126 2.7237 2.7360 3.7954 3.8004 3.8527 3.8587 5.8995 5.9025 5.9280 5.9612 6.4658 6.4808 6.9986 7.0034 7.5436 7.5729 7.8724 7.8730 7.9456 7.9796 9.6714 9.6914 11.5716 11.5718 11.5978 11.6146 12.6309 12.6317 12.8446 12.8490 k = 0.0385 0.0666-0.0000 ( 4294 PWs) bands (ev): -5.6564 -5.6558 -4.6364 -4.6349 -4.6236 -4.6231 -0.0742 -0.0541 -0.0412 -0.0310 0.3305 0.3586 0.6000 0.6024 0.7372 0.7407 0.7504 0.7537 1.2282 1.2296 1.3264 1.3876 2.0121 2.0237 2.0697 2.0924 2.1807 2.1969 2.2486 2.2511 2.5787 2.5794 2.6692 2.7104 2.7224 2.7345 3.7939 3.7974 3.8449 3.8511 5.9286 5.9454 6.0133 6.0289 6.4678 6.4818 6.9708 6.9751 7.5661 7.5915 7.9047 7.9068 7.9618 7.9898 9.6468 9.6664 11.5216 11.5254 11.5423 11.5562 12.7031 12.7034 12.8855 12.8870 k = 0.0321 0.0555-0.0000 ( 4290 PWs) bands (ev): -5.6634 -5.6629 -4.6379 -4.6364 -4.6261 -4.6259 -0.0706 -0.0527 -0.0411 -0.0336 0.3271 0.3509 0.5986 0.6009 0.7382 0.7409 0.7491 0.7520 1.2276 1.2284 1.3274 1.3789 2.0106 2.0203 2.0697 2.0891 2.1821 2.1948 2.2465 2.2481 2.5796 2.5800 2.6719 2.7069 2.7225 2.7331 3.7924 3.7946 3.8386 3.8446 5.9457 5.9634 6.1073 6.1179 6.4698 6.4823 6.9318 6.9358 7.5853 7.6067 7.9340 7.9376 7.9776 7.9994 9.6284 9.6467 11.4754 11.4826 11.4939 11.5038 12.7667 12.7681 12.9248 12.9255 k = 0.0256 0.0444-0.0000 ( 4286 PWs) bands (ev): -5.6692 -5.6688 -4.6391 -4.6379 -4.6281 -4.6280 -0.0671 -0.0516 -0.0410 -0.0361 0.3248 0.3440 0.5975 0.5996 0.7392 0.7412 0.7478 0.7503 1.2269 1.2273 1.3291 1.3708 2.0095 2.0173 2.0701 2.0859 2.1834 2.1930 2.2448 2.2456 2.5803 2.5805 2.6747 2.7030 2.7231 2.7318 3.7909 3.7921 3.8337 3.8392 5.9595 5.9749 6.2004 6.2088 6.4718 6.4824 6.8832 6.8869 7.6014 7.6185 7.9595 7.9645 7.9923 8.0079 9.6155 9.6316 11.4351 11.4448 11.4532 11.4589 12.8196 12.8215 12.9624 12.9639 k = 0.0192 0.0333-0.0000 ( 4296 PWs) bands (ev): -5.6737 -5.6734 -4.6402 -4.6392 -4.6295 -4.6295 -0.0635 -0.0508 -0.0411 -0.0385 0.3235 0.3380 0.5968 0.5984 0.7403 0.7416 0.7467 0.7488 1.2263 1.2265 1.3317 1.3632 2.0088 2.0148 2.0709 2.0829 2.1846 2.1915 2.2433 2.2437 2.5809 2.5810 2.6777 2.6990 2.7240 2.7305 3.7895 3.7900 3.8304 3.8349 5.9706 5.9827 6.2904 6.2974 6.4738 6.4822 6.8271 6.8306 7.6142 7.6270 7.9804 7.9865 8.0052 8.0146 9.6073 9.6204 11.4027 11.4129 11.4206 11.4230 12.8602 12.8618 12.9982 12.9994 k = 0.0128 0.0222-0.0000 ( 4305 PWs) bands (ev): -5.6769 -5.6768 -4.6409 -4.6402 -4.6306 -4.6305 -0.0601 -0.0508 -0.0413 -0.0404 0.3232 0.3330 0.5963 0.5975 0.7414 0.7421 0.7457 0.7473 1.2258 1.2259 1.3351 1.3562 2.0087 2.0127 2.0721 2.0802 2.1857 2.1901 2.2422 2.2423 2.5813 2.5813 2.6809 2.6951 2.7251 2.7294 3.7883 3.7885 3.8283 3.8315 5.9791 5.9874 6.3744 6.3800 6.4759 6.4816 6.7670 6.7704 7.6239 7.6324 7.9963 8.0025 8.0151 8.0193 9.6029 9.6122 11.3795 11.3878 11.3967 11.3973 12.8881 12.8891 13.0285 13.0290 k = 0.0064 0.0111-0.0000 ( 4307 PWs) bands (ev): -5.6789 -5.6788 -4.6413 -4.6410 -4.6311 -4.6311 -0.0568 -0.0518 -0.0416 -0.0415 0.3241 0.3290 0.5962 0.5968 0.7424 0.7426 0.7450 0.7460 1.2255 1.2256 1.3393 1.3498 2.0090 2.0110 2.0736 2.0777 2.1868 2.1890 2.2415 2.2415 2.5815 2.5815 2.6842 2.6913 2.7261 2.7283 3.7876 3.7876 3.8275 3.8292 5.9850 5.9892 6.4444 6.4481 6.4783 6.4812 6.7115 6.7141 7.6305 7.6348 8.0071 8.0116 8.0213 8.0220 9.6017 9.6065 11.3663 11.3708 11.3820 11.3821 12.9043 12.9047 13.0489 13.0490 k = 0.0000 0.0000 0.0000 ( 4297 PWs) bands (ev): -5.6795 -5.6795 -4.6413 -4.6413 -4.6313 -4.6313 -0.0540 -0.0540 -0.0417 -0.0417 0.3260 0.3260 0.5963 0.5963 0.7429 0.7429 0.7450 0.7450 1.2254 1.2254 1.3442 1.3442 2.0098 2.0098 2.0755 2.0755 2.1879 2.1879 2.2413 2.2413 2.5816 2.5816 2.6877 2.6877 2.7272 2.7272 3.7873 3.7873 3.8279 3.8279 5.9884 5.9884 6.4734 6.4734 6.4846 6.4846 6.6855 6.6855 7.6341 7.6341 8.0126 8.0126 8.0233 8.0233 9.6030 9.6030 11.3635 11.3635 11.3771 11.3771 12.9096 12.9096 13.0561 13.0561 k = 0.0000 0.0000 0.0000 ( 4297 PWs) bands (ev): -5.6795 -5.6795 -4.6413 -4.6413 -4.6313 -4.6313 -0.0540 -0.0540 -0.0417 -0.0417 0.3260 0.3260 0.5963 0.5963 0.7429 0.7429 0.7450 0.7450 1.2254 1.2254 1.3442 1.3442 2.0098 2.0098 2.0755 2.0755 2.1879 2.1879 2.2413 2.2413 2.5816 2.5816 2.6877 2.6877 2.7272 2.7272 3.7873 3.7873 3.8279 3.8279 5.9884 5.9884 6.4734 6.4734 6.4846 6.4846 6.6855 6.6855 7.6341 7.6341 8.0126 8.0126 8.0233 8.0233 9.6030 9.6030 11.3635 11.3635 11.3771 11.3771 12.9096 12.9096 13.0561 13.0561 k = 0.0000 0.0000 0.0128 ( 4309 PWs) bands (ev): -5.6786 -5.6783 -4.6901 -4.6802 -4.5929 -4.5829 -0.0829 -0.0772 -0.0270 -0.0075 0.3205 0.3312 0.5938 0.5996 0.7389 0.7427 0.7467 0.7471 1.1926 1.2596 1.3036 1.3863 1.9987 2.0199 2.0751 2.0766 2.1854 2.1907 2.2338 2.2485 2.5801 2.5835 2.6840 2.6913 2.7248 2.7293 3.7731 3.8045 3.8145 3.8437 5.9783 5.9788 6.4736 6.4741 6.4841 6.4861 6.6863 6.6894 7.6339 7.6413 8.0045 8.0139 8.0207 8.0322 9.6029 9.6106 11.3382 11.3455 11.3806 11.4014 12.9050 12.9213 13.0500 13.0684 k = 0.0000 0.0000 0.0255 ( 4315 PWs) bands (ev): -5.6756 -5.6749 -4.7390 -4.7292 -4.5452 -4.5352 -0.1136 -0.1136 -0.0021 0.0253 0.3145 0.3359 0.5921 0.6036 0.7345 0.7404 0.7492 0.7502 1.1614 1.2650 1.2948 1.4297 1.9868 2.0286 2.0753 2.0787 2.1831 2.1937 2.2260 2.2554 2.5790 2.5859 2.6802 2.6947 2.7222 2.7313 3.7616 3.8034 3.8251 3.8624 5.9493 5.9500 6.4746 6.4759 6.4845 6.4885 6.6913 6.6971 7.6405 7.6549 7.9963 8.0043 8.0284 8.0407 9.6105 9.6257 11.3065 11.3083 11.3884 11.4169 12.9062 12.9409 13.0487 13.0879 k = 0.0000 0.0000 0.0383 ( 4309 PWs) bands (ev): -5.6705 -5.6695 -4.7879 -4.7783 -4.4983 -4.4885 -0.1506 -0.1459 0.0208 0.0566 0.3083 0.3401 0.5911 0.6082 0.7299 0.7380 0.7512 0.7534 1.1321 1.2284 1.3307 1.4738 1.9743 2.0355 2.0759 2.0821 2.1811 2.1971 2.2182 2.2618 2.5784 2.5886 2.6763 2.6980 2.7194 2.7331 3.7525 3.7942 3.8494 3.8844 5.9037 5.9044 6.4765 6.4789 6.4858 6.4918 6.6989 6.7066 7.6534 7.6744 7.9884 7.9945 8.0358 8.0487 9.6258 9.6482 11.2670 11.2700 11.3857 11.4223 12.9123 12.9686 13.0510 13.1157 k = 0.0000 0.0000 0.0510 ( 4303 PWs) bands (ev): -5.6633 -5.6620 -4.8366 -4.8272 -4.4526 -4.4429 -0.1879 -0.1793 0.0416 0.0862 0.3017 0.3438 0.5910 0.6133 0.7251 0.7354 0.7531 0.7563 1.1048 1.1941 1.3668 1.5183 1.9614 2.0403 2.0769 2.0870 2.1793 2.2008 2.2103 2.2676 2.5784 2.5916 2.6722 2.7013 2.7164 2.7347 3.7456 3.7866 3.8776 3.9099 5.8445 5.8449 6.4791 6.4831 6.4879 6.4960 6.7073 6.7161 7.6719 7.6988 7.9808 7.9846 8.0427 8.0559 9.6487 9.6781 11.2233 11.2302 11.3722 11.4168 12.9219 13.0045 13.0557 13.1523 k = 0.0000 0.0000 0.0638 ( 4291 PWs) bands (ev): -5.6540 -5.6524 -4.8849 -4.8757 -4.4084 -4.3989 -0.2252 -0.2136 0.0606 0.1141 0.2949 0.3469 0.5917 0.6189 0.7200 0.7328 0.7549 0.7589 1.0797 1.1622 1.4030 1.5627 1.9480 2.0430 2.0783 2.0932 2.1776 2.2024 2.2048 2.2727 2.5788 2.5951 2.6681 2.7044 2.7132 2.7360 3.7405 3.7803 3.9102 3.9394 5.7742 5.7745 6.4825 6.4887 6.4909 6.5012 6.7148 6.7240 7.6947 7.7268 7.9737 7.9748 8.0489 8.0623 9.6792 9.7150 11.1785 11.1887 11.3477 11.4001 12.9341 13.0475 13.0618 13.1977 k = 0.0000 0.0000 0.0765 ( 4285 PWs) bands (ev): -5.6427 -5.6407 -4.9327 -4.9237 -4.3658 -4.3567 -0.2618 -0.2481 0.0779 0.1403 0.2878 0.3495 0.5931 0.6248 0.7146 0.7300 0.7566 0.7612 1.0570 1.1328 1.4387 1.6065 1.9343 2.0439 2.0799 2.1003 2.1761 2.1946 2.2092 2.2770 2.5798 2.5988 2.6638 2.7074 2.7097 2.7372 3.7370 3.7752 3.9472 3.9731 5.6950 5.6960 6.4864 6.4944 6.4956 6.5073 6.7203 6.7293 7.7205 7.7574 7.9651 7.9675 8.0544 8.0678 9.7172 9.7588 11.1336 11.1467 11.3128 11.3724 12.9479 13.0685 13.0966 13.2512 k = 0.0000 0.0000 0.0893 ( 4273 PWs) bands (ev): -5.6293 -5.6270 -4.9798 -4.9710 -4.3254 -4.3167 -0.2975 -0.2824 0.0935 0.1647 0.2805 0.3514 0.5952 0.6309 0.7090 0.7271 0.7582 0.7632 1.0366 1.1058 1.4738 1.6493 1.9201 2.0433 2.0819 2.1079 2.1748 2.1869 2.2138 2.2805 2.5812 2.6029 2.6595 2.7061 2.7103 2.7381 3.7348 3.7709 3.9889 4.0114 5.6093 5.6112 6.4907 6.4983 6.5037 6.5143 6.7232 6.7315 7.7480 7.7892 7.9557 7.9624 8.0590 8.0723 9.7623 9.8092 11.0895 11.1053 11.2681 11.3344 12.9627 13.0752 13.1498 13.3115 k = 0.0000 0.0000 0.1020 ( 4273 PWs) bands (ev): -5.6138 -5.6112 -5.0260 -5.0175 -4.2874 -4.2792 -0.3316 -0.3159 0.1078 0.1875 0.2730 0.3526 0.5980 0.6371 0.7031 0.7241 0.7598 0.7650 1.0186 1.0813 1.5078 1.6906 1.9056 2.0414 2.0843 2.1154 2.1735 2.1793 2.2187 2.2831 2.5832 2.6074 2.6551 2.7022 2.7131 2.7387 3.7337 3.7674 4.0355 4.0545 5.5189 5.5215 6.4952 6.5025 6.5131 6.5225 6.7235 6.7307 7.7756 7.8213 7.9465 7.9588 8.0625 8.0757 9.8144 9.8659 11.0472 11.0655 11.2146 11.2869 12.9779 13.0813 13.2053 13.3764 k = 0.0000 0.0000 0.1148 ( 4279 PWs) bands (ev): -5.5964 -5.5934 -5.0713 -5.0630 -4.2521 -4.2445 -0.3637 -0.3481 0.1210 0.2086 0.2654 0.3530 0.6014 0.6434 0.6970 0.7209 0.7613 0.7665 1.0031 1.0591 1.5406 1.7301 1.8907 2.0382 2.0870 2.1227 2.1718 2.1723 2.2239 2.2846 2.5856 2.6121 2.6507 2.6981 2.7159 2.7392 3.7336 3.7644 4.0871 4.1026 5.4251 5.4285 6.4999 6.5067 6.5236 6.5316 6.7210 6.7270 7.8018 7.8527 7.9378 7.9573 8.0650 8.0778 9.8729 9.9283 11.0069 11.0280 11.1534 11.2315 12.9929 13.0866 13.2613 13.4430 k = 0.0000 0.0000 0.1275 ( 4291 PWs) bands (ev): -5.5769 -5.5736 -5.1155 -5.1075 -4.2198 -4.2129 -0.3932 -0.3783 0.1330 0.2280 0.2576 0.3526 0.6054 0.6497 0.6908 0.7176 0.7627 0.7677 0.9899 1.0393 1.5721 1.7674 1.8754 2.0338 2.0900 2.1295 2.1646 2.1711 2.2292 2.2853 2.5884 2.6172 2.6462 2.6937 2.7185 2.7394 3.7341 3.7619 4.1438 4.1559 5.3291 5.3331 6.5045 6.5107 6.5351 6.5419 6.7159 6.7208 7.8252 7.8827 7.9295 7.9587 8.0661 8.0786 9.9375 9.9961 10.9689 10.9936 11.0856 11.1695 13.0075 13.0907 13.3161 13.5074 k = 0.0000 0.0000 0.1403 ( 4291 PWs) bands (ev): -5.5555 -5.5519 -5.1585 -5.1509 -4.1910 -4.1849 -0.4197 -0.4060 0.1443 0.2458 0.2498 0.3514 0.6098 0.6558 0.6844 0.7141 0.7639 0.7686 0.9792 1.0218 1.6021 1.8024 1.8595 2.0280 2.0933 2.1358 2.1576 2.1699 2.2347 2.2850 2.5916 2.6225 2.6417 2.6891 2.7211 2.7393 3.7353 3.7596 4.2054 4.2143 5.2319 5.2365 6.5089 6.5144 6.5477 6.5531 6.7087 6.7123 7.8445 7.9108 7.9218 7.9636 8.0659 8.0779 10.0075 10.0686 10.9328 10.9629 11.0120 11.1033 13.0214 13.0937 13.3689 13.5652 k = 0.0000 0.0000 0.1530 ( 4279 PWs) bands (ev): -5.5321 -5.5281 -5.2003 -5.1930 -4.1659 -4.1606 -0.4428 -0.4307 0.1548 0.2419 0.2621 0.3491 0.6148 0.6619 0.6778 0.7104 0.7651 0.7693 0.9707 1.0065 1.6305 1.8348 1.8432 2.0208 2.0970 2.1414 2.1507 2.1688 2.2403 2.2838 2.5950 2.6281 2.6372 2.6843 2.7236 2.7390 3.7368 3.7575 4.2718 4.2778 5.1343 5.1393 6.5130 6.5177 6.5610 6.5652 6.6994 6.7020 7.8589 7.9147 7.9367 7.9724 8.0643 8.0757 10.0824 10.1453 10.8966 10.9339 10.9363 11.0361 13.0344 13.0953 13.4191 13.6120 k = 0.0000 0.0000 0.1658 ( 4279 PWs) bands (ev): -5.5068 -5.5025 -5.2407 -5.2337 -4.1448 -4.1405 -0.4620 -0.4519 0.1648 0.2338 0.2768 0.3459 0.6201 0.6677 0.6712 0.7066 0.7662 0.7697 0.9646 0.9934 1.6574 1.8263 1.8645 2.0119 2.1010 2.1441 2.1464 2.1675 2.2459 2.2817 2.5987 2.6327 2.6338 2.6793 2.7259 2.7385 3.7387 3.7554 4.3430 4.3464 5.0372 5.0424 6.5166 6.5204 6.5750 6.5781 6.6886 6.6903 7.8689 7.9082 7.9602 7.9844 8.0609 8.0718 10.1614 10.2255 10.8519 10.8550 10.9142 10.9746 13.0464 13.0955 13.4666 13.6332 k = 0.0000 0.0000 0.1786 ( 4273 PWs) bands (ev): -5.4796 -5.4750 -5.2797 -5.2730 -4.1279 -4.1246 -0.4770 -0.4691 0.1742 0.2257 0.2901 0.3416 0.6258 0.6645 0.6734 0.7025 0.7672 0.7699 0.9607 0.9824 1.6828 1.8086 1.8916 2.0013 2.1054 2.1378 2.1508 2.1661 2.2514 2.2789 2.6025 2.6282 2.6396 2.6740 2.7281 2.7377 3.7407 3.7534 4.4186 4.4197 4.9411 4.9463 6.5196 6.5226 6.5895 6.5917 6.6763 6.6774 7.8757 7.9024 7.9811 7.9983 8.0559 8.0662 10.2437 10.3084 10.7671 10.7996 10.8970 10.9284 13.0572 13.0943 13.5117 13.6443 k = 0.0000 0.0000 0.1913 ( 4273 PWs) bands (ev): -5.4506 -5.4456 -5.3171 -5.3108 -4.1156 -4.1133 -0.4875 -0.4821 0.1834 0.2175 0.3020 0.3361 0.6318 0.6577 0.6788 0.6982 0.7680 0.7699 0.9590 0.9736 1.7067 1.7902 1.9160 1.9887 2.1100 2.1317 2.1545 2.1645 2.2568 2.2755 2.6065 2.6237 2.6455 2.6686 2.7302 2.7366 3.7429 3.7514 4.4976 4.4984 4.8468 4.8517 6.5220 6.5240 6.6044 6.6058 6.6630 6.6637 7.8806 7.8972 7.9995 8.0126 8.0489 8.0588 10.3288 10.3932 10.6803 10.7288 10.8850 10.9003 13.0668 13.0916 13.5546 13.6548 k = 0.0000 0.0000 0.2041 ( 4261 PWs) bands (ev): -5.4198 -5.4145 -5.3530 -5.3470 -4.1079 -4.1067 -0.4933 -0.4906 0.1922 0.2092 0.3125 0.3295 0.6380 0.6511 0.6840 0.6937 0.7687 0.7697 0.9595 0.9668 1.7293 1.7710 1.9378 1.9741 2.1150 2.1258 2.1577 2.1626 2.2620 2.2715 2.6107 2.6193 2.6514 2.6630 2.7321 2.7353 3.7451 3.7493 4.5797 4.5820 4.7547 4.7591 6.5236 6.5246 6.6194 6.6203 6.6489 6.6494 7.8847 7.8927 8.0153 8.0263 8.0399 8.0497 10.4158 10.4791 10.5923 10.6489 10.8787 10.8850 13.0750 13.0875 13.5957 13.6643 k = 0.0000 0.0000 0.2168 ( 4262 PWs) bands (ev): -5.3873 -5.3873 -5.3816 -5.3816 -4.1049 -4.1049 -0.4943 -0.4943 0.2008 0.2008 0.3216 0.3216 0.6445 0.6445 0.6890 0.6890 0.7693 0.7693 0.9621 0.9621 1.7507 1.7507 1.9572 1.9572 2.1203 2.1203 2.1604 2.1604 2.2669 2.2669 2.6149 2.6149 2.6572 2.6572 2.7338 2.7338 3.7472 3.7472 4.6655 4.6655 4.6691 4.6691 6.5245 6.5245 6.6343 6.6343 6.6349 6.6349 7.8886 7.8886 8.0288 8.0288 8.0388 8.0388 10.5039 10.5039 10.5648 10.5648 10.8784 10.8784 13.0820 13.0820 13.6349 13.6349 k = 0.0000 0.0000 0.2168 ( 4262 PWs) bands (ev): -5.3873 -5.3873 -5.3816 -5.3816 -4.1049 -4.1049 -0.4943 -0.4943 0.2008 0.2008 0.3216 0.3216 0.6445 0.6445 0.6890 0.6890 0.7693 0.7693 0.9621 0.9621 1.7507 1.7507 1.9572 1.9572 2.1203 2.1203 2.1604 2.1604 2.2669 2.2669 2.6149 2.6149 2.6572 2.6572 2.7338 2.7338 3.7472 3.7472 4.6655 4.6655 4.6691 4.6691 6.5245 6.5245 6.6343 6.6343 6.6349 6.6349 7.8886 7.8886 8.0288 8.0288 8.0388 8.0388 10.5039 10.5039 10.5648 10.5648 10.8784 10.8784 13.0820 13.0820 13.6349 13.6349 k = 0.0111 0.0064 0.2168 ( 4258 PWs) bands (ev): -5.3867 -5.3867 -5.3811 -5.3810 -4.1052 -4.1050 -0.4945 -0.4937 0.2012 0.2012 0.3188 0.3248 0.6443 0.6446 0.6891 0.6892 0.7692 0.7694 0.9623 0.9630 1.7458 1.7556 1.9572 1.9572 2.1174 2.1233 2.1605 2.1605 2.2664 2.2676 2.6132 2.6165 2.6532 2.6612 2.7339 2.7339 3.7468 3.7476 4.6634 4.6648 4.6666 4.6714 6.5147 6.5274 6.6296 6.6319 6.6345 6.6424 7.8729 7.8968 8.0221 8.0238 8.0295 8.0502 10.5058 10.5059 10.5628 10.5707 10.8849 10.8885 13.0671 13.0809 13.6225 13.6276 k = 0.0222 0.0128 0.2168 ( 4258 PWs) bands (ev): -5.3851 -5.3851 -5.3796 -5.3792 -4.1059 -4.1054 -0.4942 -0.4925 0.2024 0.2024 0.3164 0.3285 0.6439 0.6446 0.6896 0.6897 0.7693 0.7697 0.9635 0.9648 1.7409 1.7603 1.9574 1.9575 2.1146 2.1262 2.1609 2.1611 2.2659 2.2682 2.6113 2.6179 2.6491 2.6651 2.7343 2.7343 3.7463 3.7480 4.6556 4.6615 4.6668 4.6730 6.4999 6.5227 6.6211 6.6261 6.6376 6.6529 7.8519 7.8951 8.0035 8.0107 8.0213 8.0621 10.5114 10.5121 10.5657 10.5797 10.9079 10.9139 13.0385 13.0632 13.5955 13.6171 k = 0.0333 0.0192 0.2168 ( 4260 PWs) bands (ev): -5.3825 -5.3824 -5.3769 -5.3763 -4.1069 -4.1062 -0.4933 -0.4909 0.2043 0.2044 0.3145 0.3325 0.6435 0.6445 0.6904 0.6906 0.7694 0.7700 0.9657 0.9677 1.7361 1.7649 1.9576 1.9581 2.1121 2.1290 2.1614 2.1621 2.2654 2.2690 2.6094 2.6190 2.6450 2.6688 2.7348 2.7350 3.7458 3.7484 4.6440 4.6543 4.6678 4.6752 6.4817 6.5114 6.6080 6.6154 6.6456 6.6649 7.8272 7.8833 7.9740 7.9844 8.0198 8.0727 10.5208 10.5229 10.5747 10.5921 10.9460 10.9528 12.9984 13.0300 13.5617 13.6072 k = 0.0444 0.0257 0.2168 ( 4274 PWs) bands (ev): -5.3788 -5.3787 -5.3730 -5.3723 -4.1083 -4.1073 -0.4920 -0.4888 0.2070 0.2071 0.3129 0.3371 0.6430 0.6444 0.6914 0.6919 0.7696 0.7704 0.9689 0.9716 1.7313 1.7692 1.9577 1.9590 2.1100 2.1313 2.1622 2.1637 2.2651 2.2698 2.6074 2.6196 2.6412 2.6723 2.7355 2.7359 3.7453 3.7488 4.6289 4.6431 4.6693 4.6780 6.4611 6.4956 6.5906 6.6002 6.6564 6.6776 7.7995 7.8629 7.9349 7.9476 8.0215 8.0808 10.5347 10.5382 10.5898 10.6083 10.9967 11.0031 12.9491 12.9840 13.5219 13.5954 k = 0.0556 0.0321 0.2168 ( 4282 PWs) bands (ev): -5.3743 -5.3740 -5.3680 -5.3671 -4.1100 -4.1088 -0.4902 -0.4863 0.2104 0.2106 0.3118 0.3420 0.6423 0.6443 0.6926 0.6936 0.7698 0.7708 0.9731 0.9765 1.7268 1.7733 1.9578 1.9603 2.1083 2.1332 2.1631 2.1660 2.2648 2.2707 2.6055 2.6197 2.6377 2.6756 2.7364 2.7372 3.7448 3.7492 4.6102 4.6278 4.6713 4.6810 6.4385 6.4766 6.5695 6.5810 6.6685 6.6904 7.7692 7.8360 7.8875 7.9022 8.0236 8.0860 10.5535 10.5582 10.6104 10.6286 11.0570 11.0634 12.8925 12.9286 13.4763 13.5788 k = 0.0667 0.0385 0.2168 ( 4292 PWs) bands (ev): -5.3689 -5.3685 -5.3618 -5.3606 -4.1120 -4.1106 -0.4880 -0.4834 0.2144 0.2148 0.3111 0.3475 0.6415 0.6442 0.6941 0.6957 0.7702 0.7714 0.9783 0.9823 1.7225 1.7770 1.9578 1.9619 2.1069 2.1347 2.1643 2.1689 2.2646 2.2718 2.6037 2.6190 2.6348 2.6788 2.7374 2.7387 3.7445 3.7499 4.5881 4.6086 4.6736 4.6842 6.4143 6.4552 6.5450 6.5584 6.6810 6.7030 7.7360 7.8016 7.8341 7.8516 8.0244 8.0881 10.5773 10.5825 10.6357 10.6532 11.1239 11.1325 12.8298 12.8670 13.4254 13.5558 k = 0.0778 0.0449 0.2168 ( 4304 PWs) bands (ev): -5.3626 -5.3621 -5.3544 -5.3530 -4.1144 -4.1127 -0.4853 -0.4800 0.2190 0.2197 0.3110 0.3534 0.6406 0.6443 0.6957 0.6981 0.7705 0.7719 0.9845 0.9889 1.7184 1.7803 1.9576 1.9640 2.1061 2.1357 2.1657 2.1725 2.2646 2.2731 2.6020 2.6174 2.6326 2.6817 2.7386 2.7406 3.7444 3.7507 4.5627 4.5855 4.6761 4.6872 6.3889 6.4318 6.5178 6.5328 6.6934 6.7153 7.6981 7.7535 7.7793 7.8037 8.0231 8.0868 10.6053 10.6110 10.6648 10.6817 11.1956 11.2087 12.7625 12.8019 13.3698 13.5267 k = 0.0889 0.0513 0.2168 ( 4308 PWs) bands (ev): -5.3555 -5.3549 -5.3457 -5.3442 -4.1171 -4.1152 -0.4822 -0.4764 0.2240 0.2252 0.3113 0.3599 0.6396 0.6444 0.6976 0.7009 0.7710 0.7726 0.9915 0.9964 1.7147 1.7833 1.9572 1.9664 2.1056 2.1365 2.1673 2.1764 2.2647 2.2745 2.6004 2.6149 2.6311 2.6845 2.7400 2.7427 3.7445 3.7519 4.5341 4.5586 4.6784 4.6898 6.3623 6.4068 6.4881 6.5050 6.7055 6.7269 7.6516 7.6894 7.7271 7.7639 8.0193 8.0823 10.6362 10.6434 10.6965 10.7138 11.2708 11.2896 12.6918 12.7351 13.3107 13.4923 k = 0.1000 0.0577 0.2168 ( 4312 PWs) bands (ev): -5.3476 -5.3469 -5.3360 -5.3343 -4.1200 -4.1179 -0.4788 -0.4724 0.2295 0.2312 0.3122 0.3668 0.6385 0.6446 0.6995 0.7040 0.7714 0.7733 0.9994 1.0046 1.7114 1.7858 1.9566 1.9692 2.1057 2.1372 2.1692 2.1807 2.2649 2.2763 2.5991 2.6120 2.6301 2.6871 2.7415 2.7451 3.7450 3.7534 4.5025 4.5281 4.6804 4.6916 6.3348 6.3803 6.4563 6.4755 6.7168 6.7375 7.5926 7.6166 7.6817 7.7282 8.0129 8.0747 10.6682 10.6795 10.7294 10.7488 11.3478 11.3736 12.6190 12.6681 13.2494 13.4546 k = 0.1111 0.0642 0.2168 ( 4318 PWs) bands (ev): -5.3389 -5.3381 -5.3251 -5.3232 -4.1232 -4.1209 -0.4750 -0.4682 0.2353 0.2377 0.3136 0.3743 0.6374 0.6450 0.7016 0.7075 0.7719 0.7740 1.0080 1.0134 1.7085 1.7878 1.9558 1.9724 2.1061 2.1379 2.1715 2.1851 2.2654 2.2784 2.5978 2.6089 2.6293 2.6896 2.7432 2.7478 3.7459 3.7555 4.4680 4.4941 4.6818 4.6924 6.3065 6.3527 6.4225 6.4449 6.7269 6.7468 7.5235 7.5396 7.6429 7.6934 8.0038 8.0642 10.6996 10.7183 10.7622 10.7863 11.4252 11.4586 12.5457 12.6015 13.1876 13.4154 k = 0.1222 0.0706 0.2168 ( 4326 PWs) bands (ev): -5.3295 -5.3286 -5.3131 -5.3112 -4.1267 -4.1242 -0.4710 -0.4638 0.2413 0.2446 0.3157 0.3823 0.6363 0.6456 0.7039 0.7114 0.7724 0.7748 1.0174 1.0228 1.7062 1.7893 1.9547 1.9759 2.1069 2.1390 2.1741 2.1895 2.2660 2.2810 2.5967 2.6059 2.6286 2.6920 2.7451 2.7506 3.7473 3.7581 4.4308 4.4570 4.6821 4.6918 6.2774 6.3243 6.3868 6.4138 6.7352 6.7542 7.4480 7.4621 7.6076 7.6589 7.9922 8.0509 10.7290 10.7586 10.7935 10.8255 11.5008 11.5428 12.4730 12.5363 13.1272 13.3768 k = 0.1333 0.0770 0.2168 ( 4330 PWs) bands (ev): -5.3194 -5.3184 -5.3002 -5.2981 -4.1304 -4.1277 -0.4667 -0.4592 0.2475 0.2518 0.3184 0.3908 0.6352 0.6463 0.7062 0.7155 0.7730 0.7757 1.0273 1.0326 1.7044 1.7903 1.9535 1.9795 2.1080 2.1405 2.1771 2.1937 2.2669 2.2840 2.5956 2.6034 2.6279 2.6942 2.7472 2.7536 3.7493 3.7614 4.3914 4.4169 4.6810 4.6896 6.2475 6.2957 6.3492 6.3823 6.7403 6.7594 7.3687 7.3875 7.5741 7.6245 7.9783 8.0353 10.7546 10.7987 10.8225 10.8655 11.5726 11.6237 12.4023 12.4732 13.0706 13.3410 k = 0.1444 0.0834 0.2168 ( 4328 PWs) bands (ev): -5.3086 -5.3076 -5.2863 -5.2840 -4.1343 -4.1314 -0.4622 -0.4545 0.2537 0.2593 0.3218 0.3997 0.6341 0.6472 0.7087 0.7200 0.7737 0.7766 1.0378 1.0428 1.7032 1.7909 1.9520 1.9832 2.1094 2.1426 2.1805 2.1978 2.2680 2.2876 2.5941 2.6018 2.6271 2.6964 2.7495 2.7568 3.7520 3.7656 4.3499 4.3744 4.6780 4.6856 6.2169 6.2673 6.3097 6.3504 6.7403 6.7616 7.2891 7.3177 7.5415 7.5903 7.9621 8.0175 10.7747 10.8331 10.8524 10.9056 11.6378 11.6983 12.3351 12.4132 13.0202 13.3100 k = 0.1556 0.0898 0.2168 ( 4328 PWs) bands (ev): -5.2972 -5.2961 -5.2715 -5.2691 -4.1383 -4.1353 -0.4575 -0.4498 0.2598 0.2670 0.3260 0.4089 0.6332 0.6483 0.7112 0.7249 0.7745 0.7776 1.0486 1.0532 1.7027 1.7909 1.9505 1.9868 2.1109 2.1456 2.1844 2.2015 2.2694 2.2919 2.5922 2.6012 2.6263 2.6986 2.7519 2.7601 3.7554 3.7706 4.3067 4.3297 4.6726 4.6798 6.1852 6.2397 6.2685 6.3180 6.7329 6.7598 7.2132 7.2548 7.5098 7.5564 7.9438 7.9978 10.7880 10.8536 10.8892 10.9449 11.6932 11.7625 12.2735 12.3577 12.9789 13.2857 k = 0.1667 0.0962 0.2168 ( 4326 PWs) bands (ev): -5.2852 -5.2840 -5.2558 -5.2534 -4.1426 -4.1393 -0.4527 -0.4449 0.2658 0.2748 0.3308 0.4184 0.6324 0.6496 0.7139 0.7300 0.7756 0.7786 1.0595 1.0639 1.7029 1.7904 1.9489 1.9903 2.1126 2.1493 2.1888 2.2049 2.2711 2.2968 2.5900 2.6016 2.6255 2.7006 2.7545 2.7635 3.7597 3.7766 4.2622 4.2834 4.6639 4.6721 6.1520 6.2130 6.2257 6.2850 6.7157 6.7518 7.1446 7.2015 7.4788 7.5228 7.9237 7.9765 10.7932 10.8634 10.9276 10.9824 11.7350 11.8108 12.2203 12.3081 12.9497 13.2699 k = 0.1778 0.1026 0.2168 ( 4320 PWs) bands (ev): -5.2726 -5.2715 -5.2394 -5.2368 -4.1469 -4.1435 -0.4478 -0.4401 0.2716 0.2826 0.3363 0.4281 0.6319 0.6511 0.7166 0.7354 0.7769 0.7797 1.0701 1.0750 1.7038 1.7893 1.9474 1.9936 2.1144 2.1540 2.1936 2.2080 2.2730 2.3024 2.5879 2.6027 2.6247 2.7026 2.7572 2.7672 3.7649 3.7837 4.2168 4.2361 4.6518 4.6624 6.1165 6.1811 6.1883 6.2512 6.6878 6.7346 7.0874 7.1599 7.4484 7.4896 7.9017 7.9537 10.7899 10.8643 10.9640 11.0169 11.7602 11.8376 12.1791 12.2655 12.9358 13.2642 k = 0.1889 0.1091 0.2168 ( 4324 PWs) bands (ev): -5.2596 -5.2584 -5.2223 -5.2196 -4.1513 -4.1477 -0.4429 -0.4353 0.2773 0.2905 0.3424 0.4378 0.6315 0.6530 0.7194 0.7410 0.7786 0.7809 1.0800 1.0864 1.7055 1.7877 1.9459 1.9966 2.1162 2.1596 2.1988 2.2107 2.2754 2.3087 2.5859 2.6044 2.6240 2.7045 2.7599 2.7711 3.7709 3.7919 4.1710 4.1883 4.6363 4.6501 6.0769 6.1372 6.1640 6.2166 6.6496 6.7059 7.0449 7.1305 7.4188 7.4570 7.8781 7.9297 10.7778 10.8566 10.9969 11.0472 11.7673 11.8398 12.1514 12.2296 12.9392 13.2702 k = 0.2000 0.1155 0.2168 ( 4324 PWs) bands (ev): -5.2462 -5.2450 -5.2045 -5.2017 -4.1559 -4.1521 -0.4379 -0.4306 0.2828 0.2983 0.3491 0.4473 0.6313 0.6552 0.7223 0.7465 0.7810 0.7822 1.0893 1.0980 1.7081 1.7856 1.9445 1.9992 2.1182 2.1659 2.2045 2.2131 2.2782 2.3156 2.5841 2.6068 2.6235 2.7062 2.7627 2.7752 3.7778 3.8011 4.1250 4.1408 4.6172 4.6348 6.0312 6.0936 6.1408 6.1822 6.6038 6.6661 7.0171 7.1117 7.3901 7.4251 7.8530 7.9045 10.7576 10.8407 11.0247 11.0717 11.7582 11.8215 12.1335 12.1977 12.9604 13.2892 k = 0.2111 0.1219 0.2168 ( 4332 PWs) bands (ev): -5.2324 -5.2312 -5.1861 -5.1833 -4.1604 -4.1565 -0.4330 -0.4260 0.2881 0.3060 0.3562 0.4564 0.6314 0.6579 0.7254 0.7518 0.7836 0.7844 1.0977 1.1096 1.7114 1.7830 1.9434 2.0014 2.1203 2.1727 2.2105 2.2154 2.2814 2.3230 2.5826 2.6096 2.6231 2.7079 2.7655 2.7797 3.7853 3.8114 4.0793 4.0948 4.5947 4.6165 5.9786 6.0492 6.1176 6.1499 6.5541 6.6190 7.0011 7.1008 7.3622 7.3941 7.8265 7.8784 10.7300 10.8174 11.0459 11.0888 11.7378 11.7917 12.1187 12.1664 12.9971 13.3214 k = 0.2222 0.1283 0.2168 ( 4328 PWs) bands (ev): -5.2183 -5.2171 -5.1673 -5.1644 -4.1650 -4.1610 -0.4281 -0.4215 0.2933 0.3135 0.3638 0.4650 0.6318 0.6610 0.7286 0.7565 0.7851 0.7890 1.1053 1.1211 1.7155 1.7799 1.9426 2.0033 2.1225 2.1797 2.2168 2.2176 2.2852 2.3310 2.5813 2.6129 2.6231 2.7094 2.7683 2.7846 3.7928 3.8221 4.0345 4.0515 4.5687 4.5948 5.9195 6.0010 6.0932 6.1229 6.5041 6.5688 6.9927 7.0949 7.3352 7.3639 7.7988 7.8515 10.6962 10.7876 11.0589 11.0969 11.7116 11.7592 12.1011 12.1341 13.0453 13.3659 k = 0.2333 0.1347 0.2168 ( 4328 PWs) bands (ev): -5.2040 -5.2027 -5.1480 -5.1451 -4.1696 -4.1655 -0.4233 -0.4171 0.2984 0.3208 0.3716 0.4729 0.6324 0.6647 0.7320 0.7605 0.7868 0.7950 1.1118 1.1321 1.7203 1.7763 1.9421 2.0049 2.1248 2.1864 2.2200 2.2235 2.2895 2.3393 2.5804 2.6162 2.6240 2.7108 2.7710 2.7899 3.7993 3.8323 3.9921 4.0128 4.5394 4.5697 5.8552 5.9463 6.0681 6.1020 6.4565 6.5188 6.9884 7.0917 7.3094 7.3347 7.7702 7.8238 10.6574 10.7525 11.0623 11.0947 11.6839 11.7295 12.0770 12.1028 13.0996 13.4201 k = 0.2444 0.1411 0.2168 ( 4330 PWs) bands (ev): -5.1895 -5.1883 -5.1285 -5.1255 -4.1741 -4.1699 -0.4186 -0.4130 0.3034 0.3277 0.3796 0.4800 0.6333 0.6690 0.7355 0.7639 0.7886 0.8023 1.1174 1.1427 1.7258 1.7724 1.9421 2.0063 2.1273 2.1920 2.2233 2.2305 2.2946 2.3480 2.5798 2.6186 2.6266 2.7119 2.7738 2.7956 3.8024 3.8387 3.9558 3.9811 4.5070 4.5414 5.7866 5.8845 6.0447 6.0851 6.4129 6.4711 6.9857 7.0891 7.2848 7.3067 7.7408 7.7954 10.6151 10.7135 11.0555 11.0825 11.6573 11.7048 12.0454 12.0759 13.1544 13.4798 k = 0.2556 0.1475 0.2168 ( 4336 PWs) bands (ev): -5.1749 -5.1737 -5.1087 -5.1056 -4.1786 -4.1743 -0.4140 -0.4090 0.3083 0.3342 0.3877 0.4861 0.6345 0.6740 0.7392 0.7669 0.7907 0.8107 1.1218 1.1525 1.7318 1.7683 1.9425 2.0075 2.1298 2.1957 2.2278 2.2379 2.3004 2.3570 2.5794 2.6200 2.6312 2.7129 2.7766 2.8017 3.7987 3.8336 3.9337 3.9604 4.4718 4.5099 5.7149 5.8163 6.0237 6.0707 6.3738 6.4265 6.9829 7.0854 7.2616 7.2798 7.7110 7.7666 10.5705 10.6718 11.0384 11.0617 11.6325 11.6842 12.0111 12.0531 13.2046 13.5373 k = 0.2667 0.1540 0.2168 ( 4332 PWs) bands (ev): -5.1603 -5.1591 -5.0888 -5.0857 -4.1830 -4.1786 -0.4095 -0.4051 0.3131 0.3402 0.3960 0.4912 0.6358 0.6795 0.7430 0.7698 0.7931 0.8200 1.1250 1.1616 1.7377 1.7646 1.9433 2.0086 2.1323 2.1971 2.2336 2.2457 2.3068 2.3661 2.5794 2.6211 2.6369 2.7136 2.7796 2.8082 3.7853 3.8111 3.9322 3.9540 4.4340 4.4754 5.6410 5.7436 6.0051 6.0581 6.3390 6.3855 6.9788 7.0789 7.2402 7.2541 7.6811 7.7375 10.5250 10.6286 11.0117 11.0349 11.6083 11.6652 11.9792 12.0343 13.2460 13.5772 k = 0.2778 0.1604 0.2168 ( 4334 PWs) bands (ev): -5.1457 -5.1446 -5.0689 -5.0657 -4.1873 -4.1829 -0.4053 -0.4015 0.3177 0.3456 0.4042 0.4953 0.6375 0.6855 0.7466 0.7729 0.7958 0.8299 1.1271 1.1697 1.7424 1.7625 1.9445 2.0097 2.1348 2.1967 2.2402 2.2539 2.3141 2.3753 2.5797 2.6224 2.6434 2.7141 2.7829 2.8150 3.7631 3.7784 3.9442 3.9609 4.3940 4.4384 5.5658 5.6678 5.9885 6.0467 6.3081 6.3481 6.9723 7.0683 7.2209 7.2299 7.6515 7.7085 10.4798 10.5850 10.9778 11.0044 11.5830 11.6444 11.9533 12.0207 13.2756 13.5845 k = 0.2889 0.1668 0.2168 ( 4336 PWs) bands (ev): -5.1313 -5.1302 -5.0490 -5.0458 -4.1914 -4.1870 -0.4012 -0.3981 0.3222 0.3506 0.4124 0.4985 0.6394 0.6921 0.7499 0.7764 0.7990 0.8403 1.1281 1.1767 1.7437 1.7642 1.9462 2.0108 2.1374 2.1947 2.2471 2.2626 2.3219 2.3845 2.5803 2.6239 2.6504 2.7144 2.7866 2.8221 3.7356 3.7432 3.9629 3.9773 4.3525 4.3992 5.4903 5.5904 5.9736 6.0362 6.2805 6.3140 6.9623 7.0523 7.2040 7.2076 7.6226 7.6799 10.4357 10.5421 10.9396 10.9718 11.5546 11.6190 11.9357 12.0134 13.2914 13.5674 k = 0.3000 0.1732 0.2168 ( 4328 PWs) bands (ev): -5.1170 -5.1160 -5.0293 -5.0262 -4.1954 -4.1910 -0.3973 -0.3949 0.3265 0.3549 0.4204 0.5008 0.6417 0.6990 0.7527 0.7804 0.8027 0.8508 1.1279 1.1826 1.7414 1.7699 1.9482 2.0118 2.1399 2.1916 2.2540 2.2717 2.3303 2.3935 2.5812 2.6258 2.6577 2.7146 2.7907 2.8294 3.7045 3.7099 3.9857 3.9996 4.3097 4.3583 5.4154 5.5129 5.9599 6.0263 6.2554 6.2833 6.9477 7.0299 7.1866 7.1905 7.5949 7.6520 10.3937 10.5007 10.9001 10.9383 11.5225 11.5882 11.9267 12.0124 13.2922 13.5411 k = 0.3111 0.1796 0.2168 ( 4316 PWs) bands (ev): -5.1030 -5.1020 -5.0099 -5.0068 -4.1992 -4.1948 -0.3937 -0.3918 0.3304 0.3585 0.4281 0.5025 0.6445 0.7063 0.7550 0.7848 0.8072 0.8614 1.1268 1.1872 1.7379 1.7775 1.9506 2.0129 2.1422 2.1876 2.2608 2.2810 2.3391 2.4024 2.5826 2.6280 2.6651 2.7146 2.7953 2.8368 3.6712 3.6801 4.0117 4.0253 4.2663 4.3163 5.3418 5.4364 5.9472 6.0168 6.2323 6.2559 6.9274 7.0009 7.1691 7.1788 7.5687 7.6251 10.3544 10.4615 10.8613 10.9052 11.4869 11.5523 11.9250 12.0168 13.2782 13.5145 k = 0.3222 0.1860 0.2168 ( 4316 PWs) bands (ev): -5.0893 -5.0884 -4.9909 -4.9878 -4.2029 -4.1985 -0.3903 -0.3889 0.3341 0.3616 0.4355 0.5035 0.6476 0.7139 0.7569 0.7893 0.8125 0.8718 1.1248 1.1904 1.7342 1.7856 1.9532 2.0140 2.1444 2.1831 2.2675 2.2905 2.3480 2.4109 2.5843 2.6307 2.6724 2.7146 2.8005 2.8440 3.6389 3.6520 4.0402 4.0532 4.2230 4.2739 5.2705 5.3618 5.9352 6.0073 6.2105 6.2317 6.9004 6.9654 7.1547 7.1694 7.5442 7.5995 10.3183 10.4247 10.8246 10.8735 11.4486 11.5129 11.9288 12.0254 13.2512 13.4910 k = 0.3333 0.1925 0.2168 ( 4326 PWs) bands (ev): -5.0760 -5.0751 -4.9724 -4.9693 -4.2063 -4.2019 -0.3873 -0.3861 0.3374 0.3641 0.4424 0.5040 0.6513 0.7216 0.7587 0.7938 0.8186 0.8819 1.1219 1.1922 1.7309 1.7939 1.9560 2.0151 2.1462 2.1783 2.2741 2.3001 2.3570 2.4191 2.5866 2.6337 2.6795 2.7145 2.8062 2.8510 3.6086 3.6254 4.0701 4.0819 4.1803 4.2325 5.2023 5.2902 5.9236 5.9977 6.1896 6.2108 6.8663 6.9238 7.1439 7.1621 7.5216 7.5752 10.2855 10.3907 10.7914 10.8442 11.4087 11.4714 11.9362 12.0371 13.2145 13.4709 k = 0.3444 0.1989 0.2168 ( 4322 PWs) bands (ev): -5.0632 -5.0624 -4.9545 -4.9515 -4.2095 -4.2052 -0.3846 -0.3834 0.3404 0.3659 0.4487 0.5041 0.6556 0.7292 0.7606 0.7982 0.8251 0.8916 1.1185 1.1926 1.7283 1.8020 1.9589 2.0161 2.1477 2.1736 2.2807 2.3099 2.3659 2.4269 2.5894 2.6371 2.6863 2.7145 2.8123 2.8574 3.5805 3.6005 4.0982 4.1093 4.1401 4.1954 5.1381 5.2226 5.9123 5.9878 6.1696 6.1929 6.8250 6.8768 7.1367 7.1569 7.5006 7.5522 10.2561 10.3593 10.7624 10.8179 11.3681 11.4291 11.9458 12.0505 13.1716 13.4531 k = 0.3556 0.2053 0.2168 ( 4328 PWs) bands (ev): -5.0509 -5.0501 -4.9373 -4.9344 -4.2124 -4.2083 -0.3822 -0.3808 0.3429 0.3672 0.4545 0.5039 0.6603 0.7363 0.7632 0.8025 0.8320 0.9006 1.1146 1.1916 1.7266 1.8097 1.9619 2.0170 2.1485 2.1695 2.2873 2.3197 2.3744 2.4343 2.5927 2.6408 2.6925 2.7145 2.8186 2.8630 3.5547 3.5774 4.0929 4.1144 4.1392 4.1776 5.0790 5.1599 5.9011 5.9774 6.1507 6.1775 6.7771 6.8251 7.1329 7.1537 7.4811 7.5305 10.2302 10.3305 10.7384 10.7952 11.3278 11.3868 11.9566 12.0650 13.1255 13.4365 k = 0.3667 0.2117 0.2168 ( 4326 PWs) bands (ev): -5.0392 -5.0385 -4.9210 -4.9181 -4.2151 -4.2111 -0.3801 -0.3784 0.3450 0.3680 0.4597 0.5035 0.6655 0.7420 0.7675 0.8068 0.8387 0.9088 1.1105 1.1892 1.7259 1.8167 1.9648 2.0176 2.1485 2.1665 2.2939 2.3296 2.3826 2.4412 2.5966 2.6448 2.6982 2.7148 2.8246 2.8675 3.5315 3.5562 4.0568 4.0883 4.1695 4.1924 5.0260 5.1035 5.8898 5.9662 6.1333 6.1642 6.7234 6.7695 7.1321 7.1526 7.4628 7.5098 10.2075 10.3040 10.7198 10.7764 11.2882 11.3453 11.9679 12.0798 13.0783 13.4196 k = 0.3778 0.2181 0.2168 ( 4330 PWs) bands (ev): -5.0282 -5.0275 -4.9055 -4.9028 -4.2176 -4.2137 -0.3782 -0.3761 0.3468 0.3682 0.4643 0.5029 0.6711 0.7456 0.7742 0.8113 0.8452 0.9161 1.1064 1.1856 1.7264 1.8228 1.9676 2.0180 2.1476 2.1648 2.3005 2.3393 2.3903 2.4477 2.6011 2.6491 2.7034 2.7153 2.8299 2.8706 3.5109 3.5369 4.0214 4.0538 4.1987 4.2165 4.9807 5.0546 5.8783 5.9540 6.1174 6.1528 6.6653 6.7108 7.1340 7.1536 7.4453 7.4899 10.1877 10.2795 10.7068 10.7618 11.2501 11.3050 11.9795 12.0943 13.0317 13.4006 k = 0.3889 0.2245 0.2168 ( 4344 PWs) bands (ev): -5.0179 -5.0173 -4.8911 -4.8885 -4.2198 -4.2161 -0.3764 -0.3742 0.3481 0.3680 0.4684 0.5022 0.6770 0.7473 0.7830 0.8160 0.8510 0.9222 1.1025 1.1808 1.7280 1.8278 1.9703 2.0180 2.1464 2.1642 2.3072 2.3486 2.3978 2.4537 2.6062 2.6536 2.7080 2.7162 2.8341 2.8719 3.4930 3.5197 3.9885 4.0193 4.2244 4.2395 4.9445 5.0146 5.8665 5.9408 6.1032 6.1433 6.6039 6.6501 7.1382 7.1568 7.4284 7.4706 10.1707 10.2568 10.6993 10.7514 11.2137 11.2663 11.9912 12.1082 12.9868 13.3756 k = 0.4000 0.2309 0.2168 ( 4352 PWs) bands (ev): -5.0084 -5.0079 -4.8777 -4.8753 -4.2217 -4.2183 -0.3748 -0.3725 0.3492 0.3673 0.4719 0.5013 0.6830 0.7477 0.7930 0.8211 0.8562 0.9270 1.0990 1.1751 1.7307 1.8313 1.9730 2.0178 2.1454 2.1641 2.3139 2.3572 2.4052 2.4592 2.6119 2.6583 2.7117 2.7180 2.8365 2.8713 3.4781 3.5047 3.9587 3.9869 4.2448 4.2582 4.9189 4.9849 5.8543 5.9261 6.0909 6.1356 6.5408 6.5885 7.1445 7.1621 7.4118 7.4516 10.1561 10.2356 10.6971 10.7451 11.1793 11.2292 12.0029 12.1210 12.9448 13.3396 k = 0.4111 0.2374 0.2168 ( 4352 PWs) bands (ev): -4.9997 -4.9992 -4.8655 -4.8633 -4.2233 -4.2202 -0.3734 -0.3710 0.3499 0.3664 0.4750 0.5004 0.6891 0.7474 0.8037 0.8267 0.8605 0.9304 1.0961 1.1685 1.7346 1.8332 1.9757 2.0172 2.1450 2.1642 2.3207 2.3646 2.4128 2.4641 2.6182 2.6630 2.7143 2.7212 2.8367 2.8687 3.4661 3.4920 3.9323 3.9574 4.2586 4.2708 4.9052 4.9665 5.8415 5.9100 6.0805 6.1298 6.4773 6.5272 7.1526 7.1694 7.3952 7.4329 10.1438 10.2159 10.6998 10.7427 11.1472 11.1942 12.0148 12.1322 12.9066 13.2901 k = 0.4222 0.2438 0.2168 ( 4348 PWs) bands (ev): -4.9919 -4.9915 -4.8546 -4.8526 -4.2247 -4.2219 -0.3721 -0.3697 0.3505 0.3651 0.4778 0.4994 0.6951 0.7465 0.8142 0.8332 0.8638 0.9322 1.0941 1.1613 1.7395 1.8334 1.9786 2.0163 2.1453 2.1643 2.3275 2.3705 2.4208 2.4684 2.6250 2.6676 2.7163 2.7256 2.8342 2.8640 3.4570 3.4816 3.9093 3.9312 4.2653 4.2768 4.9033 4.9592 5.8282 5.8921 6.0724 6.1259 6.4150 6.4676 7.1622 7.1787 7.3787 7.4143 10.1336 10.1976 10.7065 10.7436 11.1176 11.1612 12.0268 12.1414 12.8736 13.2314 k = 0.4333 0.2502 0.2168 ( 4344 PWs) bands (ev): -4.9851 -4.9847 -4.8449 -4.8432 -4.2259 -4.2234 -0.3709 -0.3687 0.3510 0.3637 0.4803 0.4984 0.7010 0.7452 0.8237 0.8410 0.8661 0.9324 1.0932 1.1537 1.7454 1.8317 1.9816 2.0152 2.1463 2.1642 2.3343 2.3746 2.4291 2.4721 2.6325 2.6719 2.7182 2.7307 2.8289 2.8575 3.4508 3.4733 3.8898 3.9085 4.2656 4.2764 4.9121 4.9621 5.8144 5.8726 6.0667 6.1242 6.3553 6.4111 7.1731 7.1898 7.3621 7.3957 10.1254 10.1809 10.7165 10.7474 11.0908 11.1305 12.0393 12.1481 12.8468 13.1692 k = 0.4444 0.2566 0.2168 ( 4340 PWs) bands (ev): -4.9792 -4.9789 -4.8367 -4.8352 -4.2268 -4.2247 -0.3699 -0.3679 0.3514 0.3621 0.4825 0.4973 0.7067 0.7435 0.8317 0.8505 0.8673 0.9310 1.0933 1.1458 1.7521 1.8283 1.9849 2.0138 2.1479 2.1639 2.3409 2.3771 2.4377 2.4749 2.6404 2.6756 2.7205 2.7366 2.8210 2.8494 3.4471 3.4669 3.8738 3.8892 4.2609 4.2710 4.9294 4.9727 5.8004 5.8515 6.0636 6.1245 6.2999 6.3588 7.1852 7.2024 7.3454 7.3771 10.1191 10.1657 10.7286 10.7532 11.0670 11.1022 12.0522 12.1517 12.8274 13.1074 k = 0.4556 0.2630 0.2168 ( 4344 PWs) bands (ev): -4.9743 -4.9741 -4.8298 -4.8286 -4.2275 -4.2258 -0.3690 -0.3673 0.3519 0.3605 0.4845 0.4962 0.7120 0.7415 0.8384 0.8611 0.8675 0.9281 1.0945 1.1379 1.7596 1.8234 1.9883 2.0122 2.1498 2.1633 2.3474 2.3779 2.4461 2.4768 2.6486 2.6785 2.7235 2.7430 2.8113 2.8399 3.4455 3.4622 3.8612 3.8735 4.2537 4.2626 4.9517 4.9879 5.7868 5.8297 6.0636 6.1270 6.2503 6.3118 7.1983 7.2163 7.3287 7.3586 10.1148 10.1523 10.7417 10.7602 11.0467 11.0766 12.0657 12.1520 12.8165 13.0484 k = 0.4667 0.2694 0.2168 ( 4342 PWs) bands (ev): -4.9705 -4.9703 -4.8244 -4.8235 -4.2279 -4.2266 -0.3682 -0.3669 0.3524 0.3590 0.4863 0.4950 0.7170 0.7391 0.8442 0.8664 0.8722 0.9236 1.0969 1.1303 1.7676 1.8171 1.9919 2.0102 2.1519 2.1624 2.3535 2.3773 2.4540 2.4775 2.6570 2.6803 2.7274 2.7495 2.8010 2.8293 3.4456 3.4586 3.8519 3.8611 4.2459 4.2532 4.9757 5.0040 5.7749 5.8084 6.0670 6.1307 6.2087 6.2710 7.2122 7.2311 7.3123 7.3402 10.1124 10.1407 10.7545 10.7674 11.0306 11.0543 12.0796 12.1488 12.8148 12.9936 k = 0.4778 0.2758 0.2168 ( 4342 PWs) bands (ev): -4.9677 -4.9676 -4.8205 -4.8199 -4.2282 -4.2273 -0.3676 -0.3667 0.3531 0.3575 0.4880 0.4937 0.7217 0.7363 0.8495 0.8646 0.8829 0.9178 1.1003 1.1229 1.7760 1.8099 1.9955 2.0079 2.1541 2.1613 2.3592 2.3755 2.4610 2.4769 2.6648 2.6807 2.7327 2.7542 2.7930 2.8183 3.4469 3.4557 3.8459 3.8520 4.2394 4.2446 4.9977 5.0172 5.7661 5.7891 6.0743 6.1317 6.1800 6.2365 7.2268 7.2462 7.2965 7.3220 10.1121 10.1310 10.7655 10.7735 11.0194 11.0360 12.0937 12.1421 12.8228 12.9445 k = 0.4889 0.2823 0.2168 ( 4348 PWs) bands (ev): -4.9661 -4.9660 -4.8180 -4.8177 -4.2283 -4.2278 -0.3672 -0.3667 0.3539 0.3561 0.4896 0.4924 0.7259 0.7332 0.8542 0.8619 0.8930 0.9106 1.1047 1.1161 1.7847 1.8019 1.9990 2.0052 2.1562 2.1598 2.3644 2.3727 2.4670 2.4750 2.6714 2.6794 2.7394 2.7534 2.7916 2.8073 3.4487 3.4533 3.8429 3.8460 4.2356 4.2383 5.0146 5.0246 5.7623 5.7740 6.0859 6.1201 6.1747 6.2086 7.2415 7.2584 7.2846 7.3045 10.1138 10.1232 10.7735 10.7773 11.0140 11.0226 12.1076 12.1326 12.8403 12.9019 k = 0.5000 0.2887 0.2168 ( 4336 PWs) bands (ev): -4.9655 -4.9655 -4.8171 -4.8171 -4.2281 -4.2281 -0.3668 -0.3668 0.3549 0.3549 0.4910 0.4910 0.7298 0.7298 0.8584 0.8584 0.9023 0.9023 1.1100 1.1100 1.7934 1.7934 2.0022 2.0022 2.1581 2.1581 2.3689 2.3689 2.4717 2.4717 2.6764 2.6764 2.7471 2.7471 2.7976 2.7976 3.4509 3.4509 3.8429 3.8429 4.2352 4.2352 5.0239 5.0239 5.7648 5.7648 6.1017 6.1017 6.1873 6.1873 7.2551 7.2551 7.2890 7.2890 10.1175 10.1175 10.7775 10.7775 11.0151 11.0151 12.1208 12.1208 12.8669 12.8669 k = 0.5000 0.2887 0.2168 ( 4336 PWs) bands (ev): -4.9655 -4.9655 -4.8171 -4.8171 -4.2281 -4.2281 -0.3668 -0.3668 0.3549 0.3549 0.4910 0.4910 0.7298 0.7298 0.8584 0.8584 0.9023 0.9023 1.1100 1.1100 1.7934 1.7934 2.0022 2.0022 2.1581 2.1581 2.3689 2.3689 2.4717 2.4717 2.6764 2.6764 2.7471 2.7471 2.7976 2.7976 3.4509 3.4509 3.8429 3.8429 4.2352 4.2352 5.0239 5.0239 5.7648 5.7648 6.1017 6.1017 6.1873 6.1873 7.2551 7.2551 7.2890 7.2890 10.1175 10.1175 10.7775 10.7775 11.0151 11.0151 12.1208 12.1208 12.8669 12.8669 k = 0.4936 0.2998 0.2168 ( 4346 PWs) bands (ev): -4.9651 -4.9651 -4.8171 -4.8170 -4.2283 -4.2282 -0.3668 -0.3667 0.3553 0.3555 0.4893 0.4929 0.7281 0.7311 0.8564 0.8605 0.8990 0.9053 1.1077 1.1132 1.7874 1.7996 2.0009 2.0034 2.1565 2.1600 2.3634 2.3738 2.4685 2.4738 2.6706 2.6806 2.7453 2.7499 2.7975 2.7992 3.4493 3.4534 3.8418 3.8459 4.2328 4.2388 5.0205 5.0283 5.7594 5.7683 6.0920 6.1024 6.1817 6.1828 7.2542 7.2556 7.2896 7.2943 10.1159 10.1172 10.7736 10.7821 11.0226 11.0270 12.1151 12.1209 12.8604 12.8779 k = 0.4872 0.3109 0.2168 ( 4354 PWs) bands (ev): -4.9641 -4.9640 -4.8169 -4.8168 -4.2287 -4.2284 -0.3666 -0.3664 0.3566 0.3571 0.4878 0.4950 0.7261 0.7323 0.8544 0.8625 0.8952 0.9078 1.1062 1.1171 1.7818 1.8060 1.9995 2.0044 2.1551 2.1622 2.3571 2.3780 2.4645 2.4748 2.6639 2.6828 2.7450 2.7534 2.7991 2.8021 3.4485 3.4566 3.8426 3.8509 4.2315 4.2435 5.0182 5.0339 5.7517 5.7697 6.0734 6.0946 6.1662 6.1685 7.2526 7.2547 7.2968 7.3052 10.1135 10.1160 10.7704 10.7871 11.0488 11.0577 12.1036 12.1153 12.8585 12.8933 k = 0.4808 0.3220 0.2168 ( 4346 PWs) bands (ev): -4.9623 -4.9622 -4.8165 -4.8164 -4.2292 -4.2288 -0.3662 -0.3659 0.3588 0.3597 0.4865 0.4972 0.7238 0.7331 0.8525 0.8644 0.8911 0.9100 1.1056 1.1216 1.7765 1.8125 1.9980 2.0052 2.1540 2.1645 2.3503 2.3814 2.4596 2.4746 2.6566 2.6827 2.7465 2.7572 2.8023 2.8060 3.4485 3.4606 3.8452 3.8577 4.2313 4.2494 5.0169 5.0405 5.7410 5.7686 6.0472 6.0796 6.1417 6.1460 7.2488 7.2507 7.3102 7.3210 10.1122 10.1157 10.7679 10.7925 11.0916 11.1051 12.0866 12.1044 12.8612 12.9131 k = 0.4744 0.3331 0.2168 ( 4342 PWs) bands (ev): -4.9598 -4.9596 -4.8161 -4.8159 -4.2299 -4.2294 -0.3657 -0.3652 0.3619 0.3633 0.4853 0.4996 0.7212 0.7338 0.8507 0.8662 0.8866 0.9117 1.1058 1.1268 1.7716 1.8190 1.9965 2.0058 2.1533 2.1670 2.3431 2.3840 2.4541 2.4734 2.6493 2.6807 2.7496 2.7612 2.8069 2.8105 3.4494 3.4654 3.8494 3.8663 4.2320 4.2562 5.0167 5.0482 5.7266 5.7640 6.0152 6.0595 6.1102 6.1172 7.2411 7.2426 7.3285 7.3409 10.1148 10.1190 10.7660 10.7980 11.1482 11.1664 12.0644 12.0886 12.8684 12.9373 k = 0.4679 0.3442 0.2168 ( 4342 PWs) bands (ev): -4.9567 -4.9565 -4.8155 -4.8153 -4.2308 -4.2302 -0.3650 -0.3645 0.3659 0.3679 0.4844 0.5021 0.7184 0.7343 0.8490 0.8678 0.8818 0.9131 1.1069 1.1325 1.7672 1.8256 1.9949 2.0061 2.1530 2.1696 2.3354 2.3858 2.4480 2.4710 2.6421 2.6773 2.7539 2.7652 2.8127 2.8152 3.4512 3.4711 3.8552 3.8766 4.2333 4.2636 5.0174 5.0569 5.7073 5.7545 5.9794 6.0355 6.0747 6.0849 7.2278 7.2290 7.3500 7.3634 10.1236 10.1285 10.7645 10.8036 11.2156 11.2386 12.0377 12.0683 12.8800 12.9655 k = 0.4615 0.3553 0.2168 ( 4346 PWs) bands (ev): -4.9529 -4.9526 -4.8148 -4.8146 -4.2319 -4.2311 -0.3641 -0.3636 0.3706 0.3734 0.4837 0.5048 0.7152 0.7346 0.8474 0.8692 0.8767 0.9142 1.1089 1.1387 1.7634 1.8321 1.9934 2.0061 2.1530 2.1723 2.3276 2.3868 2.4415 2.4677 2.6355 2.6732 2.7589 2.7692 2.8193 2.8200 3.4540 3.4777 3.8624 3.8885 4.2349 4.2714 5.0191 5.0667 5.6822 5.7381 5.9420 6.0060 6.0411 6.0526 7.2078 7.2087 7.3731 7.3871 10.1409 10.1464 10.7633 10.8090 11.2909 11.3188 12.0071 12.0442 12.8959 12.9976 k = 0.4551 0.3664 0.2168 ( 4338 PWs) bands (ev): -4.9485 -4.9481 -4.8140 -4.8138 -4.2331 -4.2322 -0.3632 -0.3625 0.3761 0.3798 0.4833 0.5076 0.7118 0.7349 0.8460 0.8702 0.8714 0.9150 1.1117 1.1451 1.7602 1.8384 1.9918 2.0059 2.1534 2.1751 2.3196 2.3869 2.4346 2.4636 2.6295 2.6690 2.7643 2.7730 2.8247 2.8263 3.4579 3.4853 3.8706 3.9017 4.2366 4.2792 5.0218 5.0774 5.6509 5.7132 5.9039 5.9677 6.0167 6.0240 7.1800 7.1809 7.3964 7.4105 10.1679 10.1740 10.7624 10.8143 11.3715 11.4046 11.9738 12.0174 12.9157 13.0332 k = 0.4487 0.3775 0.2168 ( 4332 PWs) bands (ev): -4.9434 -4.9431 -4.8132 -4.8129 -4.2344 -4.2335 -0.3621 -0.3614 0.3822 0.3871 0.4831 0.5105 0.7082 0.7350 0.8445 0.8659 0.8710 0.9155 1.1152 1.1517 1.7577 1.8445 1.9902 2.0054 2.1541 2.1779 2.3117 2.3862 2.4274 2.4588 2.6243 2.6651 2.7696 2.7765 2.8290 2.8336 3.4630 3.4940 3.8796 3.9160 4.2378 4.2864 5.0254 5.0889 5.6138 5.6798 5.8654 5.9241 6.0007 6.0021 7.1440 7.1451 7.4186 7.4326 10.2054 10.2121 10.7617 10.8192 11.4550 11.4935 11.9392 11.9889 12.9390 13.0717 k = 0.4423 0.3886 0.2168 ( 4336 PWs) bands (ev): -4.9379 -4.9375 -4.8123 -4.8120 -4.2359 -4.2349 -0.3609 -0.3602 0.3888 0.3953 0.4832 0.5135 0.7045 0.7352 0.8429 0.8603 0.8714 0.9157 1.1194 1.1584 1.7561 1.8503 1.9885 2.0048 2.1552 2.1807 2.3040 2.3846 2.4200 2.4535 2.6201 2.6618 2.7747 2.7795 2.8330 2.8409 3.4694 3.5037 3.8891 3.9312 4.2383 4.2928 5.0300 5.1012 5.5719 5.6398 5.8265 5.8797 5.9879 5.9904 7.0997 7.1011 7.4387 7.4524 10.2532 10.2606 10.7611 10.8237 11.5390 11.5828 11.9052 11.9605 12.9652 13.1122 k = 0.4359 0.3997 0.2168 ( 4328 PWs) bands (ev): -4.9318 -4.9314 -4.8114 -4.8111 -4.2375 -4.2363 -0.3596 -0.3590 0.3959 0.4042 0.4836 0.5166 0.7007 0.7353 0.8410 0.8550 0.8715 0.9158 1.1242 1.1651 1.7552 1.8557 1.9868 2.0039 2.1566 2.1836 2.2967 2.3824 2.4125 2.4477 2.6169 2.6594 2.7793 2.7819 2.8365 2.8479 3.4771 3.5146 3.8987 3.9468 4.2374 4.2975 5.0355 5.1142 5.5270 5.5957 5.7883 5.8371 5.9805 5.9842 7.0476 7.0494 7.4559 7.4690 10.3109 10.3193 10.7606 10.8275 11.6203 11.6681 11.8760 11.9349 12.9936 13.1534 k = 0.4295 0.4108 0.2168 ( 4334 PWs) bands (ev): -4.9253 -4.9249 -4.8105 -4.8102 -4.2391 -4.2379 -0.3583 -0.3577 0.4033 0.4137 0.4843 0.5197 0.6969 0.7355 0.8381 0.8505 0.8711 0.9156 1.1295 1.1715 1.7553 1.8605 1.9848 2.0030 2.1582 2.1865 2.2898 2.3796 2.4049 2.4417 2.6148 2.6579 2.7834 2.7836 2.8397 2.8544 3.4863 3.5267 3.9078 3.9626 4.2349 4.3002 5.0421 5.1274 5.4807 5.5504 5.7523 5.7978 5.9779 5.9810 6.9882 6.9905 7.4698 7.4820 10.3776 10.3873 10.7602 10.8309 11.6928 11.7349 11.8657 11.9177 13.0231 13.1936 k = 0.4231 0.4219 0.2168 ( 4334 PWs) bands (ev): -4.9184 -4.9180 -4.8097 -4.8093 -4.2408 -4.2396 -0.3569 -0.3564 0.4108 0.4239 0.4854 0.5228 0.6931 0.7357 0.8338 0.8474 0.8704 0.9153 1.1353 1.1777 1.7564 1.8648 1.9826 2.0019 2.1600 2.1894 2.2835 2.3762 2.3974 2.4355 2.6139 2.6575 2.7845 2.7868 2.8423 2.8602 3.4971 3.5401 3.9161 3.9779 4.2304 4.3003 5.0496 5.1408 5.4348 5.5061 5.7201 5.7631 5.9783 5.9800 6.9225 6.9254 7.4798 7.4911 10.4519 10.4634 10.7598 10.8338 11.7431 11.7512 11.9063 11.9225 13.0524 13.2304 k = 0.4167 0.4330 0.2168 ( 4342 PWs) bands (ev): -4.9112 -4.9108 -4.8089 -4.8085 -4.2425 -4.2413 -0.3556 -0.3551 0.4184 0.4345 0.4869 0.5258 0.6896 0.7361 0.8282 0.8454 0.8694 0.9149 1.1413 1.1835 1.7586 1.8683 1.9801 2.0009 2.1621 2.1924 2.2779 2.3726 2.3900 2.4293 2.6142 2.6583 2.7845 2.7894 2.8445 2.8652 3.5095 3.5549 3.9231 3.9925 4.2234 4.2973 5.0583 5.1539 5.3908 5.4647 5.6929 5.7339 5.9803 5.9805 6.8514 6.8549 7.4859 7.4961 10.5319 10.5463 10.7595 10.8369 11.7341 11.7578 11.9625 11.9807 13.0799 13.2609 k = 0.4103 0.4441 0.2168 ( 4338 PWs) bands (ev): -4.9037 -4.9033 -4.8083 -4.8078 -4.2443 -4.2430 -0.3542 -0.3539 0.4258 0.4454 0.4888 0.5288 0.6863 0.7367 0.8218 0.8441 0.8679 0.9143 1.1476 1.1887 1.7618 1.8712 1.9772 1.9998 2.1644 2.1954 2.2729 2.3687 2.3828 2.4229 2.6157 2.6601 2.7835 2.7911 2.8463 2.8692 3.5237 3.5712 3.9282 4.0056 4.2139 4.2909 5.0680 5.1662 5.3503 5.4279 5.6719 5.7109 5.9812 5.9834 6.7760 6.7800 7.4882 7.4972 10.6148 10.6345 10.7596 10.8416 11.7107 11.7487 12.0259 12.0615 13.1038 13.2821 k = 0.4038 0.4552 0.2168 ( 4354 PWs) bands (ev): -4.8960 -4.8956 -4.8078 -4.8073 -4.2460 -4.2447 -0.3529 -0.3527 0.4328 0.4565 0.4912 0.5317 0.6834 0.7375 0.8149 0.8432 0.8662 0.9135 1.1539 1.1934 1.7662 1.8732 1.9738 1.9988 2.1669 2.1986 2.2686 2.3649 2.3760 2.4166 2.6183 2.6631 2.7815 2.7920 2.8475 2.8721 3.5396 3.5889 3.9310 4.0169 4.2017 4.2809 5.0786 5.1773 5.3145 5.3972 5.6577 5.6944 5.9821 5.9863 6.6972 6.7020 7.4869 7.4946 10.6946 10.7245 10.7622 10.8527 11.6879 11.7314 12.0972 12.1419 13.1223 13.2914 k = 0.3974 0.4663 0.2168 ( 4358 PWs) bands (ev): -4.8882 -4.8879 -4.8075 -4.8070 -4.2477 -4.2464 -0.3517 -0.3515 0.4393 0.4675 0.4942 0.5343 0.6812 0.7386 0.8078 0.8425 0.8643 0.9126 1.1603 1.1973 1.7716 1.8744 1.9699 1.9979 2.1697 2.2019 2.2649 2.3613 2.3697 2.4103 2.6220 2.6670 2.7786 2.7922 2.8483 2.8738 3.5573 3.6081 3.9312 4.0259 4.1869 4.2675 5.0899 5.1865 5.2846 5.3737 5.6507 5.6847 5.9825 5.9883 6.6162 6.6216 7.4823 7.4887 10.7556 10.7562 10.8260 10.8844 11.6673 11.7124 12.1699 12.2199 13.1336 13.2879 k = 0.3910 0.4774 0.2168 ( 4358 PWs) bands (ev): -4.8804 -4.8801 -4.8074 -4.8069 -4.2493 -4.2481 -0.3505 -0.3504 0.4452 0.4783 0.4976 0.5367 0.6796 0.7399 0.8006 0.8418 0.8621 0.9115 1.1665 1.2006 1.7782 1.8748 1.9652 1.9971 2.1726 2.2053 2.2618 2.3580 2.3639 2.4041 2.6269 2.6718 2.7747 2.7915 2.8486 2.8742 3.5766 3.6287 3.9284 4.0322 4.1698 4.2507 5.1016 5.1936 5.2616 5.3583 5.6510 5.6816 5.9817 5.9891 6.5339 6.5401 7.4750 7.4803 10.7576 10.7831 10.9215 10.9501 11.6495 11.6940 12.2418 12.2950 13.1365 13.2719 k = 0.3846 0.4885 0.2168 ( 4362 PWs) bands (ev): -4.8726 -4.8724 -4.8075 -4.8070 -4.2509 -4.2497 -0.3494 -0.3494 0.4504 0.4886 0.5015 0.5387 0.6790 0.7415 0.7933 0.8413 0.8597 0.9103 1.1725 1.2032 1.7857 1.8745 1.9600 1.9964 2.1756 2.2089 2.2590 2.3552 2.3589 2.3979 2.6329 2.6775 2.7699 2.7902 2.8485 2.8734 3.5976 3.6507 3.9228 4.0357 4.1506 4.2312 5.1133 5.1989 5.2461 5.3506 5.6582 5.6849 5.9794 5.9880 6.4514 6.4583 7.4656 7.4698 10.7585 10.7912 11.0176 11.0344 11.6344 11.6768 12.3122 12.3671 13.1307 13.2450 k = 0.3782 0.4996 0.2168 ( 4350 PWs) bands (ev): -4.8649 -4.8648 -4.8080 -4.8074 -4.2523 -4.2511 -0.3484 -0.3484 0.4548 0.4981 0.5057 0.5402 0.6793 0.7433 0.7861 0.8409 0.8573 0.9090 1.1782 1.2050 1.7942 1.8735 1.9540 1.9957 2.1788 2.2128 2.2564 2.3530 2.3548 2.3919 2.6399 2.6838 2.7643 2.7883 2.8479 2.8713 3.6199 3.6740 3.9145 4.0364 4.1300 4.2092 5.1249 5.2034 5.2380 5.3497 5.6721 5.6943 5.9752 5.9847 6.3697 6.3775 7.4550 7.4582 10.7597 10.7927 11.1116 11.1229 11.6217 11.6610 12.3808 12.4363 13.1170 13.2098 k = 0.3718 0.5107 0.2168 ( 4350 PWs) bands (ev): -4.8575 -4.8575 -4.8088 -4.8082 -4.2536 -4.2525 -0.3476 -0.3475 0.4585 0.5066 0.5101 0.5412 0.6809 0.7453 0.7789 0.8406 0.8549 0.9076 1.1836 1.2061 1.8034 1.8718 1.9474 1.9953 2.1820 2.2167 2.2540 2.3514 2.3515 2.3859 2.6479 2.6905 2.7580 2.7861 2.8470 2.8680 3.6434 3.6982 3.9039 4.0348 4.1084 4.1855 5.1368 5.2083 5.2363 5.3537 5.6918 5.7093 5.9689 5.9790 6.2900 6.2986 7.4439 7.4462 10.7613 10.7917 11.2018 11.2095 11.6110 11.6464 12.4476 12.5029 13.0971 13.1690 k = 0.3654 0.5218 0.2168 ( 4350 PWs) bands (ev): -4.8505 -4.8503 -4.8099 -4.8094 -4.2547 -4.2537 -0.3469 -0.3467 0.4614 0.5139 0.5145 0.5417 0.6835 0.7472 0.7720 0.8404 0.8526 0.9062 1.1884 1.2067 1.8133 1.8697 1.9403 1.9949 2.1851 2.2208 2.2515 2.3492 2.3504 2.3801 2.6568 2.6972 2.7510 2.7839 2.8457 2.8636 3.6676 3.7225 3.8918 4.0315 4.0867 4.1607 5.1497 5.2143 5.2390 5.3608 5.7167 5.7293 5.9604 5.9707 6.2136 6.2229 7.4330 7.4346 10.7634 10.7897 11.2860 11.2908 11.6019 11.6328 12.5129 12.5674 13.0734 13.1251 k = 0.3590 0.5329 0.2168 ( 4342 PWs) bands (ev): -4.8439 -4.8436 -4.8115 -4.8109 -4.2556 -4.2548 -0.3463 -0.3461 0.4638 0.5188 0.5199 0.5414 0.6872 0.7491 0.7655 0.8403 0.8504 0.9048 1.1927 1.2067 1.8235 1.8673 1.9329 1.9946 2.1880 2.2249 2.2491 2.3479 2.3500 2.3744 2.6666 2.7034 2.7434 2.7821 2.8443 2.8584 3.6918 3.7457 3.8796 4.0276 4.0658 4.1352 5.1643 5.2216 5.2436 5.3695 5.7457 5.7536 5.9500 5.9602 6.1420 6.1518 7.4231 7.4241 10.7658 10.7875 11.3619 11.3636 11.5941 11.6199 12.5769 12.6303 13.0485 13.0793 k = 0.3526 0.5440 0.2168 ( 4346 PWs) bands (ev): -4.8379 -4.8374 -4.8134 -4.8129 -4.2563 -4.2557 -0.3458 -0.3456 0.4656 0.5229 0.5245 0.5404 0.6914 0.7507 0.7597 0.8405 0.8484 0.9034 1.1963 1.2062 1.8338 1.8646 1.9255 1.9944 2.1905 2.2289 2.2465 2.3475 2.3503 2.3690 2.6771 2.7085 2.7355 2.7812 2.8428 2.8527 3.7151 3.7652 3.8696 4.0245 4.0470 4.1096 5.1809 5.2293 5.2478 5.3784 5.7774 5.7810 5.9386 5.9483 6.0773 6.0868 7.4147 7.4154 10.7687 10.7851 11.4247 11.4269 11.5877 11.6074 12.6396 12.6925 13.0239 13.0302 k = 0.3462 0.5551 0.2168 ( 4346 PWs) bands (ev): -4.8325 -4.8318 -4.8158 -4.8153 -4.2568 -4.2564 -0.3454 -0.3452 0.4668 0.5268 0.5278 0.5388 0.6955 0.7517 0.7551 0.8410 0.8466 0.9024 1.1993 1.2054 1.8434 1.8618 1.9186 1.9944 2.1924 2.2327 2.2439 2.3479 2.3510 2.3639 2.6882 2.7116 2.7273 2.7816 2.8414 2.8469 3.7364 3.7764 3.8651 4.0239 4.0325 4.0844 5.1992 5.2362 5.2491 5.3861 5.8092 5.8093 5.9286 5.9372 6.0219 6.0299 7.4085 7.4088 10.7717 10.7828 11.4706 11.4782 11.5834 11.5958 12.6999 12.7548 12.9747 12.9955 k = 0.3397 0.5662 0.2168 ( 4342 PWs) bands (ev): -4.8280 -4.8269 -4.8184 -4.8181 -4.2570 -4.2568 -0.3451 -0.3450 0.4676 0.5298 0.5303 0.5365 0.6986 0.7521 0.7522 0.8419 0.8449 0.9016 1.2016 1.2043 1.8515 1.8590 1.9133 1.9943 2.1937 2.2360 2.2414 2.3492 2.3518 2.3596 2.6995 2.7123 2.7190 2.7830 2.8404 2.8422 3.7543 3.7763 3.8669 4.0253 4.0271 4.0603 5.2182 5.2400 5.2459 5.3915 5.8329 5.8346 5.9249 5.9332 5.9790 5.9835 7.4047 7.4048 10.7749 10.7804 11.4974 11.5115 11.5825 11.5870 12.7536 12.8183 12.9202 12.9460 k = 0.3333 0.5774 0.2168 ( 4350 PWs) bands (ev): -4.8257 -4.8241 -4.8201 -4.8201 -4.2571 -4.2571 -0.3450 -0.3450 0.4678 0.5304 0.5336 0.5336 0.6998 0.7518 0.7518 0.8433 0.8433 0.9014 1.2031 1.2031 1.8563 1.8563 1.9111 1.9944 2.1941 2.2389 2.2389 2.3511 2.3511 2.3576 2.7105 2.7105 2.7109 2.7840 2.8401 2.8401 3.7678 3.7678 3.8690 4.0291 4.0291 4.0444 5.2344 5.2387 5.2387 5.3935 5.8426 5.8426 5.9304 5.9417 5.9567 5.9567 7.4034 7.4034 10.7778 10.7778 11.5053 11.5225 11.5838 11.5838 12.7807 12.8777 12.8902 12.8902 k = 0.3333 0.5774 0.2168 ( 4350 PWs) bands (ev): -4.8257 -4.8241 -4.8201 -4.8201 -4.2571 -4.2571 -0.3450 -0.3450 0.4678 0.5304 0.5336 0.5336 0.6998 0.7518 0.7518 0.8433 0.8433 0.9014 1.2031 1.2031 1.8563 1.8563 1.9111 1.9944 2.1941 2.2389 2.2389 2.3511 2.3511 2.3576 2.7105 2.7105 2.7109 2.7840 2.8401 2.8401 3.7678 3.7678 3.8690 4.0291 4.0291 4.0444 5.2344 5.2387 5.2387 5.3935 5.8426 5.8426 5.9304 5.9417 5.9567 5.9567 7.4034 7.4034 10.7778 10.7778 11.5053 11.5225 11.5838 11.5838 12.7807 12.8777 12.8902 12.8902 k = 0.3269 0.5662 0.2168 ( 4346 PWs) bands (ev): -4.8280 -4.8268 -4.8187 -4.8181 -4.2571 -4.2568 -0.3452 -0.3450 0.4676 0.5294 0.5307 0.5365 0.6987 0.7505 0.7537 0.8415 0.8452 0.9016 1.2019 1.2040 1.8538 1.8565 1.9135 1.9943 2.1937 2.2364 2.2410 2.3480 2.3536 2.3589 2.7027 2.7068 2.7214 2.7824 2.8409 2.8422 3.7556 3.7763 3.8659 4.0106 4.0453 4.0568 5.2196 5.2300 5.2533 5.3913 5.8363 5.8381 5.9199 5.9327 5.9773 5.9852 7.4047 7.4048 10.7748 10.7803 11.4998 11.5149 11.5816 11.5824 12.7565 12.8235 12.9053 12.9514 k = 0.3205 0.5551 0.2168 ( 4344 PWs) bands (ev): -4.8323 -4.8313 -4.8167 -4.8156 -4.2568 -4.2563 -0.3454 -0.3452 0.4669 0.5258 0.5288 0.5392 0.6956 0.7485 0.7572 0.8396 0.8479 0.9025 1.2008 1.2042 1.8515 1.8525 1.9199 1.9942 2.1924 2.2340 2.2423 2.3445 2.3566 2.3614 2.6949 2.7017 2.7309 2.7777 2.8433 2.8490 3.7425 3.7805 3.8572 3.9894 4.0718 4.0793 5.1966 5.2132 5.2656 5.3843 5.8278 5.8279 5.9144 5.9319 6.0171 6.0282 7.4083 7.4085 10.7711 10.7819 11.4868 11.4981 11.5713 11.5743 12.7142 12.7693 12.9274 13.0048 k = 0.3141 0.5440 0.2168 ( 4342 PWs) bands (ev): -4.8375 -4.8366 -4.8153 -4.8139 -4.2563 -4.2555 -0.3459 -0.3455 0.4659 0.5214 0.5262 0.5415 0.6915 0.7457 0.7614 0.8373 0.8513 0.9039 1.1997 1.2038 1.8460 1.8495 1.9287 1.9940 2.1902 2.2316 2.2428 2.3412 2.3600 2.3644 2.6877 2.6957 2.7388 2.7704 2.8477 2.8593 3.7299 3.7814 3.8451 3.9692 4.1049 4.1073 5.1681 5.1889 5.2724 5.3722 5.8188 5.8231 5.9213 5.9432 6.0627 6.0758 7.4141 7.4144 10.7664 10.7822 11.4689 11.4771 11.5527 11.5569 12.6732 12.7215 12.9437 13.0265 k = 0.3077 0.5329 0.2168 ( 4336 PWs) bands (ev): -4.8434 -4.8425 -4.8148 -4.8132 -4.2556 -4.2545 -0.3465 -0.3459 0.4645 0.5165 0.5229 0.5435 0.6868 0.7423 0.7654 0.8347 0.8554 0.9056 1.1989 1.2028 1.8385 1.8478 1.9384 1.9935 2.1875 2.2292 2.2425 2.3383 2.3637 2.3676 2.6811 2.6891 2.7447 2.7618 2.8543 2.8716 3.7187 3.7804 3.8315 3.9500 4.1390 4.1419 5.1361 5.1591 5.2728 5.3548 5.8144 5.8239 5.9394 5.9656 6.1115 6.1260 7.4216 7.4221 10.7602 10.7809 11.4468 11.4535 11.5278 11.5314 12.6374 12.6805 12.9585 13.0438 k = 0.3013 0.5218 0.2168 ( 4336 PWs) bands (ev): -4.8500 -4.8491 -4.8154 -4.8135 -4.2547 -4.2533 -0.3473 -0.3465 0.4628 0.5111 0.5187 0.5451 0.6819 0.7383 0.7689 0.8317 0.8601 0.9075 1.1984 1.2014 1.8305 1.8464 1.9484 1.9927 2.1842 2.2267 2.2415 2.3357 2.3676 2.3709 2.6752 2.6822 2.7485 2.7525 2.8628 2.8850 3.7093 3.7788 3.8176 3.9320 4.1727 4.1808 5.1026 5.1264 5.2668 5.3328 5.8162 5.8304 5.9670 5.9977 6.1623 6.1779 7.4304 7.4311 10.7524 10.7773 11.4204 11.4279 11.5001 11.5006 12.6077 12.6462 12.9737 13.0614 k = 0.2949 0.5107 0.2168 ( 4352 PWs) bands (ev): -4.8572 -4.8564 -4.8170 -4.8149 -4.2535 -4.2518 -0.3482 -0.3472 0.4609 0.5054 0.5139 0.5463 0.6771 0.7340 0.7716 0.8284 0.8652 0.9093 1.1981 1.1996 1.8225 1.8452 1.9580 1.9916 2.1806 2.2241 2.2401 2.3334 2.3716 2.3741 2.6701 2.6752 2.7431 2.7505 2.8728 2.8987 3.7020 3.7775 3.8040 3.9151 4.2067 4.2199 5.0696 5.0932 5.2556 5.3076 5.8243 5.8423 6.0028 6.0377 6.2145 6.2307 7.4400 7.4410 10.7427 10.7712 11.3887 11.3997 11.4686 11.4736 12.5839 12.6182 12.9892 13.0788 k = 0.2885 0.4996 0.2168 ( 4352 PWs) bands (ev): -4.8652 -4.8643 -4.8197 -4.8173 -4.2520 -4.2501 -0.3493 -0.3481 0.4588 0.4991 0.5087 0.5471 0.6726 0.7294 0.7736 0.8248 0.8705 0.9109 1.1975 1.1982 1.8148 1.8442 1.9670 1.9900 2.1768 2.2213 2.2385 2.3313 2.3756 2.3771 2.6658 2.6683 2.7337 2.7509 2.8836 2.9121 3.6972 3.7772 3.7912 3.8993 4.2395 4.2577 5.0388 5.0617 5.2413 5.2810 5.8381 5.8586 6.0453 6.0840 6.2675 6.2840 7.4499 7.4513 10.7309 10.7623 11.3517 11.3671 11.4404 11.4515 12.5657 12.5958 13.0046 13.0954 k = 0.2821 0.4885 0.2168 ( 4348 PWs) bands (ev): -4.8737 -4.8729 -4.8234 -4.8208 -4.2504 -4.2481 -0.3505 -0.3492 0.4566 0.4922 0.5032 0.5472 0.6684 0.7246 0.7748 0.8211 0.8757 0.9119 1.1953 1.1985 1.8075 1.8432 1.9751 1.9880 2.1731 2.2185 2.2368 2.3293 2.3796 2.3797 2.6615 2.6625 2.7247 2.7503 2.8944 2.9247 3.6947 3.7783 3.7796 3.8845 4.2693 4.2926 5.0117 5.0337 5.2268 5.2555 5.8565 5.8786 6.0934 6.1352 6.3208 6.3376 7.4597 7.4614 10.7172 10.7504 11.3106 11.3290 11.4197 11.4350 12.5524 12.5783 13.0194 13.1109 k = 0.2756 0.4774 0.2168 ( 4344 PWs) bands (ev): -4.8830 -4.8822 -4.8283 -4.8255 -4.2486 -4.2460 -0.3519 -0.3504 0.4543 0.4848 0.4975 0.5468 0.6645 0.7199 0.7754 0.8173 0.8805 0.9122 1.1929 1.1991 1.8008 1.8422 1.9821 1.9854 2.1695 2.2155 2.2355 2.3274 2.3819 2.3835 2.6550 2.6600 2.7161 2.7489 2.9046 2.9361 3.6947 3.7694 3.7813 3.8707 4.2946 4.3228 4.9894 5.0106 5.2148 5.2334 5.8785 5.9014 6.1460 6.1903 6.3742 6.3910 7.4689 7.4709 10.7019 10.7361 11.2673 11.2870 11.4073 11.4240 12.5430 12.5649 13.0331 13.1247 k = 0.2692 0.4663 0.2168 ( 4352 PWs) bands (ev): -4.8929 -4.8921 -4.8344 -4.8313 -4.2466 -4.2437 -0.3534 -0.3518 0.4520 0.4768 0.4918 0.5457 0.6610 0.7153 0.7756 0.8135 0.8848 0.9118 1.1906 1.2000 1.7947 1.8410 1.9824 1.9880 2.1661 2.2125 2.2345 2.3254 2.3835 2.3871 2.6488 2.6585 2.7080 2.7469 2.9135 2.9460 3.6968 3.7611 3.7862 3.8581 4.3138 4.3465 4.9726 4.9937 5.2082 5.2172 5.9031 5.9263 6.2021 6.2483 6.4272 6.4439 7.4770 7.4794 10.6855 10.7197 11.2237 11.2435 11.4021 11.4185 12.5371 12.5549 13.0455 13.1368 k = 0.2628 0.4552 0.2168 ( 4344 PWs) bands (ev): -4.9035 -4.9027 -4.8415 -4.8383 -4.2443 -4.2412 -0.3551 -0.3534 0.4496 0.4684 0.4860 0.5439 0.6579 0.7109 0.7754 0.8097 0.8882 0.9104 1.1883 1.2009 1.7892 1.8396 1.9788 1.9925 2.1632 2.2095 2.2342 2.3233 2.3844 2.3905 2.6431 2.6577 2.7005 2.7445 2.9206 2.9539 3.7007 3.7557 3.7931 3.8468 4.3254 4.3622 4.9621 4.9835 5.2093 5.2094 5.9298 5.9530 6.2611 6.3084 6.4796 6.4962 7.4838 7.4864 10.6688 10.7022 11.1810 11.2005 11.4034 11.4180 12.5337 12.5475 13.0562 13.1468 k = 0.2564 0.4441 0.2168 ( 4348 PWs) bands (ev): -4.9146 -4.9139 -4.8498 -4.8463 -4.2419 -4.2386 -0.3569 -0.3551 0.4472 0.4597 0.4803 0.5414 0.6552 0.7069 0.7749 0.8059 0.8908 0.9081 1.1861 1.2020 1.7844 1.8378 1.9749 1.9958 2.1607 2.2065 2.2344 2.3212 2.3846 2.3935 2.6378 2.6578 2.6934 2.7417 2.9256 2.9595 3.7053 3.7542 3.8013 3.8377 4.3288 4.3687 4.9581 4.9803 5.2113 5.2199 5.9579 5.9810 6.3221 6.3699 6.5311 6.5474 7.4889 7.4917 10.6527 10.6846 11.1404 11.1592 11.4104 11.4224 12.5323 12.5422 13.0653 13.1548 k = 0.2500 0.4330 0.2168 ( 4356 PWs) bands (ev): -4.9264 -4.9257 -4.8591 -4.8555 -4.2394 -4.2358 -0.3588 -0.3570 0.4447 0.4506 0.4747 0.5382 0.6528 0.7032 0.7743 0.8022 0.8924 0.9048 1.1840 1.2030 1.7803 1.8355 1.9707 1.9979 2.1586 2.2035 2.2352 2.3190 2.3841 2.3960 2.6329 2.6585 2.6869 2.7387 2.9280 2.9628 3.7092 3.7582 3.8084 3.8336 4.3239 4.3660 4.9611 4.9839 5.2245 5.2402 5.9871 6.0100 6.3845 6.4320 6.5813 6.5976 7.4922 7.4951 10.6380 10.6679 11.1026 11.1205 11.4226 11.4312 12.5323 12.5384 13.0725 13.1607 k = 0.2436 0.4219 0.2168 ( 4358 PWs) bands (ev): -4.9388 -4.9380 -4.8695 -4.8658 -4.2367 -4.2329 -0.3608 -0.3591 0.4414 0.4420 0.4690 0.5344 0.6508 0.6999 0.7735 0.7986 0.8929 0.9005 1.1820 1.2039 1.7769 1.8327 1.9663 1.9989 2.1571 2.2005 2.2365 2.3168 2.3826 2.3982 2.6286 2.6598 2.6807 2.7354 2.9278 2.9635 3.7122 3.7684 3.8089 3.8402 4.3115 4.3549 4.9711 4.9939 5.2488 5.2700 6.0172 6.0398 6.4475 6.4939 6.6302 6.6466 7.4936 7.4963 10.6255 10.6531 11.0681 11.0852 11.4394 11.4442 12.5333 12.5357 13.0777 13.1643 k = 0.2372 0.4108 0.2168 ( 4360 PWs) bands (ev): -4.9517 -4.9510 -4.8809 -4.8771 -4.2338 -4.2298 -0.3630 -0.3614 0.4321 0.4391 0.4634 0.5301 0.6490 0.6971 0.7726 0.7951 0.8924 0.8953 1.1802 1.2046 1.7742 1.8291 1.9619 1.9990 2.1560 2.1975 2.2380 2.3145 2.3803 2.3998 2.6249 2.6615 2.6750 2.7318 2.9250 2.9617 3.7151 3.7838 3.8054 3.8551 4.2929 4.3371 4.9882 5.0100 5.2832 5.3083 6.0478 6.0702 6.5106 6.5549 6.6777 6.6945 7.4931 7.4954 10.6159 10.6410 11.0376 11.0536 11.4603 11.4608 12.5339 12.5347 13.0810 13.1656 k = 0.2308 0.3997 0.2168 ( 4356 PWs) bands (ev): -4.9652 -4.9644 -4.8933 -4.8894 -4.2307 -4.2266 -0.3653 -0.3639 0.4228 0.4360 0.4579 0.5255 0.6475 0.6946 0.7717 0.7918 0.8892 0.8908 1.1785 1.2050 1.7721 1.8249 1.9576 1.9984 2.1553 2.1945 2.2397 2.3124 2.3770 2.4010 2.6216 2.6636 2.6695 2.7279 2.9195 2.9575 3.7189 3.8021 3.8033 3.8741 4.2696 4.3144 5.0122 5.0318 5.3262 5.3536 6.0789 6.1011 6.5728 6.6139 6.7238 6.7415 7.4910 7.4925 10.6099 10.6322 11.0113 11.0262 11.4807 11.4847 12.5326 12.5365 13.0823 13.1645 k = 0.2244 0.3886 0.2168 ( 4348 PWs) bands (ev): -4.9791 -4.9784 -4.9066 -4.9027 -4.2276 -4.2233 -0.3678 -0.3666 0.4135 0.4323 0.4523 0.5207 0.6463 0.6925 0.7708 0.7884 0.8823 0.8882 1.1768 1.2050 1.7707 1.8199 1.9535 1.9973 2.1550 2.1915 2.2411 2.3103 2.3728 2.4015 2.6188 2.6644 2.6659 2.7238 2.9116 2.9510 3.7245 3.8005 3.8260 3.8956 4.2434 4.2888 5.0428 5.0593 5.3759 5.4045 6.1105 6.1324 6.6332 6.6696 6.7688 6.7881 7.4875 7.4878 10.6078 10.6274 10.9896 11.0034 11.5035 11.5123 12.5318 12.5382 13.0815 13.1609 k = 0.2179 0.3775 0.2168 ( 4362 PWs) bands (ev): -4.9934 -4.9928 -4.9208 -4.9168 -4.2242 -4.2198 -0.3703 -0.3695 0.4043 0.4281 0.4468 0.5160 0.6452 0.6906 0.7700 0.7852 0.8747 0.8846 1.1751 1.2045 1.7699 1.8142 1.9497 1.9958 2.1549 2.1886 2.2422 2.3084 2.3677 2.4015 2.6165 2.6594 2.6682 2.7193 2.9018 2.9426 3.7322 3.8008 3.8510 3.9191 4.2161 4.2619 5.0797 5.0922 5.4308 5.4597 6.1423 6.1642 6.6904 6.7206 6.8135 6.8351 7.4817 7.4833 10.6098 10.6267 10.9724 10.9851 11.5288 11.5425 12.5313 12.5397 13.0786 13.1544 k = 0.2115 0.3664 0.2168 ( 4354 PWs) bands (ev): -5.0082 -5.0075 -4.9359 -4.9319 -4.2207 -4.2163 -0.3730 -0.3726 0.3953 0.4233 0.4413 0.5115 0.6443 0.6890 0.7692 0.7819 0.8665 0.8800 1.1733 1.2033 1.7696 1.8078 1.9463 1.9942 2.1550 2.1858 2.2428 2.3066 2.3617 2.4008 2.6145 2.6546 2.6704 2.7145 2.8905 2.9326 3.7420 3.8034 3.8775 3.9435 4.1894 4.2358 5.1222 5.1303 5.4892 5.5177 6.1745 6.1963 6.7426 6.7656 6.8590 6.8828 7.4748 7.4789 10.6162 10.6304 10.9600 10.9716 11.5564 11.5751 12.5313 12.5409 13.0734 13.1447 k = 0.2051 0.3553 0.2168 ( 4350 PWs) bands (ev): -5.0233 -5.0227 -4.9517 -4.9477 -4.2171 -4.2126 -0.3758 -0.3758 0.3864 0.4177 0.4358 0.5073 0.6436 0.6874 0.7685 0.7787 0.8579 0.8746 1.1714 1.2015 1.7698 1.8009 1.9433 1.9927 2.1551 2.1831 2.2427 2.3049 2.3549 2.3994 2.6127 2.6500 2.6724 2.7095 2.8781 2.9213 3.7541 3.8081 3.9042 3.9672 4.1660 4.2123 5.1700 5.1732 5.5499 5.5776 6.2071 6.2288 6.7883 6.8042 6.9061 6.9309 7.4679 7.4755 10.6267 10.6383 10.9522 10.9626 11.5858 11.6097 12.5318 12.5418 13.0657 13.1312 k = 0.1987 0.3442 0.2168 ( 4348 PWs) bands (ev): -5.0388 -5.0381 -4.9681 -4.9641 -4.2134 -4.2088 -0.3793 -0.3788 0.3777 0.4113 0.4302 0.5036 0.6430 0.6859 0.7678 0.7754 0.8490 0.8684 1.1693 1.1990 1.7705 1.7934 1.9408 1.9912 2.1552 2.1806 2.2420 2.3032 2.3475 2.3974 2.6112 2.6455 2.6737 2.7044 2.8653 2.9093 3.7682 3.8148 3.9294 3.9872 4.1495 4.1938 5.2206 5.2224 5.6117 5.6382 6.2402 6.2618 6.8268 6.8367 6.9549 6.9783 7.4617 7.4739 10.6412 10.6504 10.9489 10.9582 11.6167 11.6460 12.5331 12.5423 13.0554 13.1131 k = 0.1923 0.3331 0.2168 ( 4348 PWs) bands (ev): -5.0545 -5.0539 -4.9852 -4.9813 -4.2095 -4.2048 -0.3829 -0.3819 0.3693 0.4042 0.4246 0.5002 0.6425 0.6843 0.7672 0.7719 0.8401 0.8615 1.1669 1.1956 1.7715 1.7856 1.9387 1.9900 2.1551 2.1784 2.2404 2.3013 2.3396 2.3946 2.6096 2.6414 2.6739 2.6997 2.8524 2.8969 3.7840 3.8232 3.9506 3.9988 4.1454 4.1833 5.2719 5.2789 5.6735 5.6986 6.2738 6.2953 6.8584 6.8636 7.0043 7.0234 7.4576 7.4757 10.6594 10.6662 10.9497 10.9579 11.6488 11.6835 12.5352 12.5425 13.0419 13.0894 k = 0.1859 0.3220 0.2168 ( 4348 PWs) bands (ev): -5.0704 -5.0698 -5.0029 -4.9990 -4.2054 -4.2008 -0.3867 -0.3851 0.3611 0.3965 0.4189 0.4971 0.6421 0.6825 0.7667 0.7683 0.8314 0.8541 1.1642 1.1914 1.7728 1.7776 1.9370 1.9892 2.1545 2.1766 2.2382 2.2988 2.3315 2.3910 2.6079 2.6377 2.6722 2.6963 2.8400 2.8844 3.8009 3.8326 3.9653 3.9993 4.1570 4.1839 5.3266 5.3389 5.7346 5.7579 6.3082 6.3296 6.8841 6.8858 7.0526 7.0647 7.4567 7.4821 10.6807 10.6855 10.9542 10.9613 11.6817 11.7219 12.5385 12.5425 13.0245 13.0587 k = 0.1795 0.3109 0.2168 ( 4348 PWs) bands (ev): -5.0864 -5.0859 -5.0210 -5.0171 -4.2013 -4.1967 -0.3907 -0.3885 0.3531 0.3882 0.4131 0.4942 0.6418 0.6805 0.7644 0.7661 0.8231 0.8462 1.1610 1.1863 1.7694 1.7744 1.9358 1.9886 2.1534 2.1754 2.2353 2.2954 2.3237 2.3866 2.6060 2.6345 2.6680 2.6945 2.8284 2.8722 3.8178 3.8419 3.9728 3.9929 4.1813 4.1970 5.3841 5.4017 5.7939 5.8154 6.3436 6.3647 6.9038 6.9049 7.0981 7.1012 7.4605 7.4943 10.7047 10.7075 10.9619 10.9679 11.7151 11.7608 12.5424 12.5432 13.0025 13.0196 k = 0.1731 0.2998 0.2168 ( 4344 PWs) bands (ev): -5.1026 -5.1020 -5.0394 -5.0356 -4.1970 -4.1924 -0.3949 -0.3920 0.3454 0.3796 0.4072 0.4912 0.6415 0.6782 0.7602 0.7656 0.8154 0.8380 1.1573 1.1803 1.7613 1.7761 1.9350 1.9884 2.1517 2.1747 2.2317 2.2906 2.3168 2.3814 2.6038 2.6319 2.6619 2.6941 2.8178 2.8604 3.8332 3.8493 3.9764 3.9863 4.2133 4.2211 5.4439 5.4666 5.8509 5.8702 6.3802 6.4008 6.9182 6.9214 7.1324 7.1393 7.4705 7.5129 10.7306 10.7317 10.9720 10.9769 11.7487 11.7999 12.5421 12.5497 12.9713 12.9745 k = 0.1667 0.2887 0.2168 ( 4338 PWs) bands (ev): -5.1188 -5.1182 -5.0581 -5.0544 -4.1927 -4.1881 -0.3992 -0.3957 0.3379 0.3707 0.4011 0.4882 0.6412 0.6755 0.7558 0.7650 0.8086 0.8297 1.1531 1.1734 1.7534 1.7780 1.9346 1.9886 2.1495 2.1744 2.2273 2.2843 2.3111 2.3755 2.6014 2.6300 2.6547 2.6945 2.8083 2.8492 3.8444 3.8524 3.9811 3.9850 4.2493 4.2528 5.5053 5.5332 5.9047 5.9218 6.4182 6.4382 6.9297 6.9343 7.1588 7.1757 7.4875 7.5379 10.7573 10.7577 10.9837 10.9877 11.7823 11.8387 12.5415 12.5580 12.9139 12.9396 k = 0.1603 0.2776 0.2168 ( 4340 PWs) bands (ev): -5.1350 -5.1345 -5.0770 -5.0734 -4.1882 -4.1837 -0.4037 -0.3995 0.3308 0.3616 0.3948 0.4847 0.6410 0.6724 0.7512 0.7642 0.8026 0.8215 1.1482 1.1658 1.7457 1.7799 1.9346 1.9890 2.1469 2.1745 2.2222 2.2768 2.3065 2.3689 2.5988 2.6286 2.6470 2.6952 2.7999 2.8386 3.8493 3.8499 3.9917 3.9918 4.2875 4.2893 5.5677 5.6005 5.9550 5.9696 6.4578 6.4769 6.9389 6.9442 7.1815 7.2073 7.5115 7.5683 10.7834 10.7850 10.9961 10.9992 11.8157 11.8769 12.5393 12.5675 12.8491 12.8984 k = 0.1538 0.2665 0.2168 ( 4332 PWs) bands (ev): -5.1511 -5.1506 -5.0960 -5.0925 -4.1837 -4.1793 -0.4082 -0.4035 0.3238 0.3524 0.3884 0.4808 0.6408 0.6689 0.7466 0.7632 0.7976 0.8134 1.1426 1.1573 1.7384 1.7818 1.9349 1.9896 2.1439 2.1748 2.2161 2.2689 2.3024 2.3617 2.5963 2.6276 2.6394 2.6959 2.7925 2.8288 3.8426 3.8476 4.0068 4.0100 4.3266 4.3283 5.6304 5.6680 6.0012 6.0134 6.4993 6.5171 6.9464 6.9517 7.2022 7.2353 7.5418 7.6029 10.8091 10.8116 11.0082 11.0104 11.8489 11.9143 12.5332 12.5756 12.7815 12.8538 k = 0.1474 0.2554 0.2168 ( 4322 PWs) bands (ev): -5.1670 -5.1666 -5.1151 -5.1117 -4.1791 -4.1748 -0.4130 -0.4076 0.3172 0.3432 0.3818 0.4763 0.6407 0.6652 0.7421 0.7619 0.7933 0.8058 1.1363 1.1481 1.7316 1.7837 1.9356 1.9904 2.1408 2.1752 2.2093 2.2612 2.2986 2.3540 2.5941 2.6271 2.6322 2.6965 2.7861 2.8197 3.8324 3.8413 4.0280 4.0350 4.3659 4.3685 5.6928 5.7349 6.0432 6.0532 6.5425 6.5586 6.9529 6.9575 7.2225 7.2614 7.5767 7.6403 10.8334 10.8365 11.0189 11.0203 11.8821 11.9506 12.5180 12.5720 12.7237 12.8132 k = 0.1410 0.2443 0.2168 ( 4318 PWs) bands (ev): -5.1828 -5.1824 -5.1340 -5.1307 -4.1745 -4.1702 -0.4178 -0.4119 0.3107 0.3340 0.3751 0.4711 0.6406 0.6613 0.7378 0.7600 0.7898 0.7989 1.1293 1.1383 1.7254 1.7854 1.9365 1.9912 2.1375 2.1755 2.2016 2.2540 2.2949 2.3461 2.5922 2.6255 2.6268 2.6970 2.7804 2.8113 3.8211 3.8324 4.0539 4.0647 4.4045 4.4086 5.7542 5.8004 6.0812 6.0891 6.5870 6.6012 6.9593 6.9627 7.2437 7.2873 7.6146 7.6792 10.8551 10.8587 11.0270 11.0278 11.9155 11.9861 12.4869 12.5340 12.7005 12.7860 k = 0.1346 0.2332 0.2168 ( 4318 PWs) bands (ev): -5.1983 -5.1980 -5.1528 -5.1496 -4.1698 -4.1657 -0.4227 -0.4163 0.3044 0.3250 0.3683 0.4651 0.6405 0.6575 0.7338 0.7574 0.7868 0.7930 1.1216 1.1279 1.7198 1.7870 1.9377 1.9920 2.1342 2.1758 2.1934 2.2475 2.2912 2.3380 2.5907 2.6195 2.6267 2.6974 2.7754 2.8036 3.8098 3.8226 4.0832 4.0979 4.4419 4.4478 5.8140 5.8640 6.1155 6.1215 6.6321 6.6440 6.9672 6.9687 7.2669 7.3141 7.6541 7.7186 10.8733 10.8769 11.0316 11.0319 11.9497 12.0209 12.4362 12.4629 12.7125 12.7787 k = 0.1282 0.2221 0.2168 ( 4322 PWs) bands (ev): -5.2136 -5.2132 -5.1713 -5.1683 -4.1652 -4.1611 -0.4277 -0.4209 0.2983 0.3160 0.3615 0.4584 0.6404 0.6539 0.7301 0.7539 0.7843 0.7882 1.1132 1.1171 1.7150 1.7885 1.9391 1.9924 2.1308 2.1760 2.1849 2.2415 2.2876 2.3300 2.5899 2.6143 2.6268 2.6975 2.7709 2.7964 3.7991 3.8127 4.1151 4.1334 4.4775 4.4853 5.8717 5.9250 6.1467 6.1511 6.6760 6.6854 6.9779 6.9784 7.2924 7.3425 7.6939 7.7579 10.8869 10.8905 11.0316 11.0316 11.9850 12.0552 12.3696 12.3786 12.7413 12.7899 k = 0.1218 0.2110 0.2168 ( 4318 PWs) bands (ev): -5.2285 -5.2281 -5.1895 -5.1866 -4.1605 -4.1566 -0.4327 -0.4255 0.2922 0.3072 0.3547 0.4510 0.6404 0.6506 0.7267 0.7496 0.7822 0.7846 1.1042 1.1058 1.7110 1.7898 1.9407 1.9926 2.1275 2.1760 2.1766 2.2359 2.2841 2.3223 2.5895 2.6099 2.6269 2.6975 2.7669 2.7897 3.7893 3.8033 4.1489 4.1706 4.5108 4.5205 5.9270 5.9830 6.1754 6.1787 6.7156 6.7226 6.9936 6.9958 7.3204 7.3728 7.7333 7.7965 10.8952 10.8985 11.0262 11.0264 12.0208 12.0884 12.2911 12.2945 12.7790 12.8152 k = 0.1154 0.1999 0.2168 ( 4330 PWs) bands (ev): -5.2429 -5.2426 -5.2072 -5.2045 -4.1559 -4.1522 -0.4377 -0.4303 0.2862 0.2985 0.3482 0.4429 0.6404 0.6477 0.7235 0.7446 0.7804 0.7819 1.0944 1.0947 1.7077 1.7908 1.9424 1.9922 2.1243 2.1688 2.1758 2.2306 2.2807 2.3150 2.5898 2.6062 2.6272 2.6973 2.7633 2.7836 3.7806 3.7946 4.1843 4.2090 4.5413 4.5529 5.9795 6.0376 6.2024 6.2049 6.7472 6.7525 7.0198 7.0229 7.3507 7.4050 7.7715 7.8338 10.8976 10.9003 11.0153 11.0153 12.0526 12.1129 12.2089 12.2238 12.8230 12.8506 k = 0.1090 0.1887 0.2168 ( 4326 PWs) bands (ev): -5.2570 -5.2567 -5.2245 -5.2219 -4.1514 -4.1478 -0.4427 -0.4351 0.2802 0.2900 0.3419 0.4344 0.6405 0.6453 0.7205 0.7394 0.7789 0.7800 1.0828 1.0847 1.7053 1.7916 1.9442 1.9914 2.1212 2.1618 2.1754 2.2253 2.2776 2.3082 2.5906 2.6032 2.6275 2.6970 2.7601 2.7779 3.7729 3.7867 4.2209 4.2480 4.5688 4.5820 6.0292 6.0887 6.2287 6.2307 6.7681 6.7729 7.0593 7.0618 7.3830 7.4388 7.8082 7.8697 10.8936 10.8958 10.9984 10.9987 12.0487 12.0847 12.1656 12.2048 12.8721 12.8937 k = 0.1026 0.1776 0.2168 ( 4320 PWs) bands (ev): -5.2705 -5.2702 -5.2412 -5.2387 -4.1469 -4.1435 -0.4477 -0.4400 0.2741 0.2817 0.3360 0.4256 0.6406 0.6434 0.7176 0.7340 0.7775 0.7786 1.0712 1.0745 1.7036 1.7921 1.9461 1.9899 2.1182 2.1557 2.1748 2.2200 2.2749 2.3020 2.5920 2.6009 2.6279 2.6964 2.7571 2.7726 3.7663 3.7797 4.2581 4.2873 4.5929 4.6075 6.0759 6.1362 6.2549 6.2566 6.7785 6.7839 7.1117 7.1124 7.4169 7.4738 7.8429 7.9036 10.8833 10.8850 10.9756 10.9767 11.9800 12.0061 12.1914 12.2377 12.9254 12.9426 k = 0.0962 0.1665 0.2168 ( 4328 PWs) bands (ev): -5.2834 -5.2832 -5.2572 -5.2549 -4.1426 -4.1393 -0.4527 -0.4448 0.2679 0.2736 0.3307 0.4166 0.6408 0.6420 0.7149 0.7288 0.7763 0.7775 1.0597 1.0640 1.7027 1.7923 1.9479 1.9879 2.1155 2.1505 2.1740 2.2147 2.2724 2.2965 2.5938 2.5992 2.6282 2.6956 2.7543 2.7676 3.7608 3.7736 4.2957 4.3265 4.6136 4.6293 6.1199 6.1803 6.2817 6.2832 6.7807 6.7873 7.1724 7.1745 7.4519 7.5096 7.8752 7.9354 10.8669 10.8679 10.9477 10.9498 11.8927 11.9174 12.2406 12.2833 12.9820 12.9961 k = 0.0897 0.1554 0.2168 ( 4328 PWs) bands (ev): -5.2958 -5.2956 -5.2726 -5.2703 -4.1383 -4.1352 -0.4575 -0.4497 0.2616 0.2657 0.3260 0.4076 0.6410 0.6410 0.7123 0.7238 0.7753 0.7766 1.0485 1.0535 1.7026 1.7922 1.9497 1.9853 2.1130 2.1465 2.1731 2.2093 2.2704 2.2916 2.5961 2.5981 2.6286 2.6946 2.7518 2.7631 3.7562 3.7684 4.3333 4.3651 4.6307 4.6472 6.1611 6.2209 6.3094 6.3110 6.7772 6.7853 7.2390 7.2444 7.4876 7.5460 7.9048 7.9648 10.8447 10.8452 10.9156 10.9190 11.8022 11.8260 12.2981 12.3347 13.0410 13.0528 k = 0.0833 0.1443 0.2168 ( 4324 PWs) bands (ev): -5.3075 -5.3073 -5.2871 -5.2850 -4.1343 -4.1314 -0.4622 -0.4545 0.2552 0.2580 0.3219 0.3988 0.6404 0.6412 0.7097 0.7190 0.7744 0.7758 1.0376 1.0431 1.7031 1.7918 1.9513 1.9823 2.1108 2.1433 2.1720 2.2038 2.2687 2.2874 2.5975 2.5987 2.6290 2.6935 2.7494 2.7588 3.7526 3.7640 4.3704 4.4028 4.6445 4.6614 6.1997 6.2583 6.3383 6.3402 6.7700 6.7798 7.3101 7.3191 7.5237 7.5825 7.9316 7.9916 10.8175 10.8175 10.8803 10.8853 11.7114 11.7338 12.3609 12.3905 13.1016 13.1117 k = 0.0769 0.1332 0.2168 ( 4324 PWs) bands (ev): -5.3185 -5.3184 -5.3008 -5.2988 -4.1304 -4.1277 -0.4667 -0.4592 0.2487 0.2506 0.3184 0.3902 0.6401 0.6415 0.7072 0.7146 0.7736 0.7750 1.0271 1.0328 1.7044 1.7909 1.9529 1.9791 2.1090 2.1410 2.1708 2.1984 2.2673 2.2839 2.5974 2.6017 2.6294 2.6921 2.7472 2.7550 3.7497 3.7603 4.4068 4.4392 4.6550 4.6720 6.2360 6.2928 6.3684 6.3707 6.7604 6.7718 7.3835 7.3963 7.5602 7.6190 7.9552 8.0154 10.7855 10.7862 10.8432 10.8499 11.6213 11.6418 12.4279 12.4498 13.1626 13.1718 k = 0.0705 0.1221 0.2168 ( 4324 PWs) bands (ev): -5.3288 -5.3288 -5.3135 -5.3117 -4.1267 -4.1242 -0.4710 -0.4638 0.2424 0.2436 0.3157 0.3819 0.6400 0.6419 0.7048 0.7105 0.7728 0.7744 1.0172 1.0229 1.7062 1.7897 1.9542 1.9758 2.1075 2.1393 2.1695 2.1929 2.2663 2.2809 2.5977 2.6049 2.6298 2.6904 2.7452 2.7514 3.7476 3.7574 4.4420 4.4739 4.6627 4.6794 6.2701 6.3246 6.3995 6.4022 6.7492 6.7621 7.4573 7.4744 7.5973 7.6552 7.9754 8.0361 10.7502 10.7519 10.8054 10.8138 11.5325 11.5503 12.4981 12.5120 13.2228 13.2317 k = 0.0641 0.1110 0.2168 ( 4312 PWs) bands (ev): -5.3383 -5.3383 -5.3253 -5.3236 -4.1232 -4.1209 -0.4751 -0.4683 0.2361 0.2368 0.3136 0.3741 0.6402 0.6422 0.7025 0.7068 0.7722 0.7737 1.0078 1.0135 1.7085 1.7880 1.9554 1.9725 2.1065 2.1382 2.1683 2.1876 2.2655 2.2784 2.5983 2.6082 2.6302 2.6886 2.7433 2.7482 3.7461 3.7550 4.4758 4.5066 4.6678 4.6840 6.3022 6.3543 6.4311 6.4341 6.7370 6.7514 7.5292 7.5517 7.6355 7.6912 7.9921 8.0535 10.7131 10.7159 10.7680 10.7781 11.4455 11.4602 12.5706 12.5762 13.2813 13.2905 k = 0.0577 0.0999 0.2168 ( 4308 PWs) bands (ev): -5.3472 -5.3471 -5.3361 -5.3346 -4.1200 -4.1179 -0.4788 -0.4725 0.2301 0.2305 0.3122 0.3667 0.6405 0.6426 0.7002 0.7034 0.7716 0.7731 0.9992 1.0046 1.7114 1.7859 1.9563 1.9694 2.1059 2.1373 2.1670 2.1825 2.2650 2.2763 2.5993 2.6116 2.6308 2.6864 2.7416 2.7453 3.7451 3.7531 4.5077 4.5369 4.6708 4.6862 6.3325 6.3821 6.4626 6.4657 6.7241 6.7399 7.5960 7.6266 7.6769 7.7270 8.0052 8.0672 10.6758 10.6797 10.7317 10.7433 11.3608 11.3720 12.6416 12.6444 13.3369 13.3469 k = 0.0513 0.0888 0.2168 ( 4306 PWs) bands (ev): -5.3552 -5.3551 -5.3458 -5.3444 -4.1171 -4.1152 -0.4822 -0.4764 0.2245 0.2247 0.3113 0.3598 0.6409 0.6430 0.6982 0.7003 0.7711 0.7724 0.9914 0.9964 1.7147 1.7833 1.9570 1.9666 2.1057 2.1365 2.1659 2.1776 2.2647 2.2745 2.6006 2.6147 2.6316 2.6841 2.7401 2.7428 3.7446 3.7517 4.5374 4.5646 4.6721 4.6865 6.3612 6.4082 6.4934 6.4963 6.7108 6.7278 7.6530 7.6966 7.7248 7.7636 8.0146 8.0773 10.6398 10.6447 10.6971 10.7103 11.2792 11.2866 12.7073 12.7184 13.3886 13.3999 k = 0.0449 0.0777 0.2168 ( 4306 PWs) bands (ev): -5.3624 -5.3623 -5.3544 -5.3531 -4.1144 -4.1127 -0.4853 -0.4801 0.2193 0.2194 0.3110 0.3533 0.6415 0.6434 0.6962 0.6977 0.7706 0.7719 0.9844 0.9889 1.7184 1.7803 1.9574 1.9641 2.1061 2.1357 2.1648 2.1732 2.2646 2.2731 2.6021 2.6172 2.6329 2.6815 2.7387 2.7406 3.7444 3.7506 4.5646 4.5893 4.6721 4.6854 6.3884 6.4328 6.5226 6.5252 6.6972 6.7154 7.6984 7.7572 7.7795 7.8038 8.0206 8.0837 10.6068 10.6122 10.6648 10.6796 11.2014 11.2050 12.7722 12.7911 13.4358 13.4486 k = 0.0385 0.0666 0.2168 ( 4290 PWs) bands (ev): -5.3687 -5.3686 -5.3618 -5.3607 -4.1120 -4.1106 -0.4880 -0.4834 0.2146 0.2146 0.3111 0.3474 0.6420 0.6438 0.6944 0.6953 0.7702 0.7713 0.9783 0.9823 1.7225 1.7770 1.9577 1.9620 2.1070 2.1347 2.1637 2.1694 2.2646 2.2718 2.6037 2.6189 2.6349 2.6787 2.7375 2.7387 3.7446 3.7498 4.5892 4.6109 4.6713 4.6833 6.4142 6.4558 6.5497 6.5517 6.6837 6.7027 7.7360 7.8027 7.8360 7.8516 8.0232 8.0862 10.5778 10.5832 10.6357 10.6520 11.1285 11.1285 12.8353 12.8609 13.4780 13.4923 k = 0.0321 0.0555 0.2168 ( 4280 PWs) bands (ev): -5.3742 -5.3741 -5.3680 -5.3671 -4.1100 -4.1088 -0.4902 -0.4863 0.2105 0.2105 0.3118 0.3420 0.6425 0.6441 0.6929 0.6934 0.7699 0.7708 0.9731 0.9765 1.7268 1.7732 1.9578 1.9603 2.1083 2.1332 2.1628 2.1662 2.2648 2.2707 2.6055 2.6197 2.6377 2.6756 2.7364 2.7371 3.7449 3.7492 4.6107 4.6290 4.6701 4.6806 6.4385 6.4769 6.5738 6.5753 6.6704 6.6899 7.7692 7.8363 7.8891 7.9018 8.0232 8.0850 10.5537 10.5584 10.6104 10.6281 11.0586 11.0618 12.8952 12.9256 13.5150 13.5303 k = 0.0256 0.0444 0.2168 ( 4264 PWs) bands (ev): -5.3788 -5.3787 -5.3730 -5.3723 -4.1083 -4.1073 -0.4920 -0.4888 0.2071 0.2071 0.3129 0.3370 0.6431 0.6443 0.6915 0.6918 0.7696 0.7704 0.9689 0.9716 1.7314 1.7692 1.9577 1.9590 2.1100 2.1313 2.1620 2.1638 2.2651 2.2698 2.6074 2.6196 2.6412 2.6723 2.7355 2.7359 3.7453 3.7488 4.6291 4.6436 4.6688 4.6778 6.4611 6.4958 6.5945 6.5954 6.6578 6.6771 7.7995 7.8631 7.9360 7.9469 8.0216 8.0803 10.5348 10.5383 10.5898 10.6080 10.9970 11.0026 12.9503 12.9829 13.5473 13.5624 k = 0.0192 0.0333 0.2168 ( 4262 PWs) bands (ev): -5.3824 -5.3824 -5.3769 -5.3763 -4.1069 -4.1062 -0.4933 -0.4909 0.2043 0.2043 0.3145 0.3325 0.6435 0.6445 0.6904 0.6906 0.7694 0.7700 0.9657 0.9677 1.7361 1.7649 1.9576 1.9581 2.1121 2.1289 2.1614 2.1621 2.2654 2.2690 2.6094 2.6190 2.6451 2.6688 2.7348 2.7350 3.7458 3.7484 4.6441 4.6545 4.6676 4.6752 6.4818 6.5115 6.6112 6.6115 6.6466 6.6645 7.8272 7.8833 7.9748 7.9836 8.0201 8.0725 10.5208 10.5228 10.5747 10.5920 10.9460 10.9526 12.9988 13.0297 13.5756 13.5889 k = 0.0128 0.0222 0.2168 ( 4256 PWs) bands (ev): -5.3851 -5.3851 -5.3796 -5.3792 -4.1059 -4.1054 -0.4942 -0.4925 0.2024 0.2024 0.3164 0.3285 0.6439 0.6446 0.6896 0.6897 0.7693 0.7697 0.9635 0.9648 1.7409 1.7603 1.9574 1.9575 2.1146 2.1262 2.1608 2.1611 2.2659 2.2682 2.6113 2.6179 2.6491 2.6651 2.7343 2.7343 3.7463 3.7480 4.6556 4.6615 4.6668 4.6730 6.5000 6.5227 6.6231 6.6235 6.6384 6.6527 7.8519 7.8952 8.0039 8.0100 8.0216 8.0621 10.5114 10.5121 10.5657 10.5797 10.9079 10.9139 13.0386 13.0632 13.6010 13.6101 k = 0.0064 0.0111 0.2168 ( 4260 PWs) bands (ev): -5.3867 -5.3867 -5.3811 -5.3810 -4.1052 -4.1050 -0.4945 -0.4937 0.2012 0.2012 0.3188 0.3248 0.6443 0.6446 0.6891 0.6892 0.7692 0.7694 0.9623 0.9630 1.7458 1.7556 1.9572 1.9572 2.1174 2.1233 2.1605 2.1605 2.2664 2.2676 2.6132 2.6165 2.6532 2.6612 2.7339 2.7339 3.7468 3.7476 4.6634 4.6648 4.6666 4.6714 6.5147 6.5274 6.6300 6.6312 6.6349 6.6424 7.8729 7.8968 8.0223 8.0236 8.0296 8.0502 10.5058 10.5059 10.5628 10.5707 10.8849 10.8884 13.0672 13.0809 13.6235 13.6265 k = 0.0000 0.0000 0.2168 ( 4262 PWs) bands (ev): -5.3873 -5.3873 -5.3816 -5.3816 -4.1049 -4.1049 -0.4943 -0.4943 0.2008 0.2008 0.3216 0.3216 0.6445 0.6445 0.6890 0.6890 0.7693 0.7693 0.9621 0.9621 1.7507 1.7507 1.9572 1.9572 2.1203 2.1203 2.1604 2.1604 2.2669 2.2669 2.6149 2.6149 2.6572 2.6572 2.7338 2.7338 3.7472 3.7472 4.6655 4.6655 4.6691 4.6691 6.5245 6.5245 6.6343 6.6343 6.6349 6.6349 7.8886 7.8886 8.0288 8.0288 8.0388 8.0388 10.5039 10.5039 10.5648 10.5648 10.8784 10.8784 13.0820 13.0820 13.6349 13.6349 k = 0.5000 0.2887 0.2168 ( 4336 PWs) bands (ev): -4.9655 -4.9655 -4.8171 -4.8171 -4.2281 -4.2281 -0.3668 -0.3668 0.3549 0.3549 0.4910 0.4910 0.7298 0.7298 0.8584 0.8584 0.9023 0.9023 1.1100 1.1100 1.7934 1.7934 2.0022 2.0022 2.1581 2.1581 2.3689 2.3689 2.4717 2.4717 2.6764 2.6764 2.7471 2.7471 2.7976 2.7976 3.4509 3.4509 3.8429 3.8429 4.2352 4.2352 5.0239 5.0239 5.7648 5.7648 6.1017 6.1017 6.1873 6.1873 7.2551 7.2551 7.2890 7.2890 10.1175 10.1175 10.7775 10.7775 11.0151 11.0151 12.1208 12.1208 12.8669 12.8669 k = 0.5000 0.2887 0.2041 ( 4348 PWs) bands (ev): -4.9677 -4.9667 -4.8153 -4.8139 -4.2293 -4.2287 -0.3662 -0.3644 0.3451 0.3636 0.4795 0.5017 0.7253 0.7338 0.8495 0.8670 0.8811 0.9229 1.0953 1.1267 1.7586 1.8265 1.9762 2.0259 2.1565 2.1595 2.3649 2.3738 2.4656 2.4762 2.6735 2.6773 2.7410 2.7582 2.7917 2.8070 3.4488 3.4528 3.8400 3.8433 4.2353 4.2426 5.0072 5.0188 5.7617 5.7847 6.0961 6.1080 6.1778 6.1969 7.2304 7.2518 7.2884 7.3163 10.1192 10.1247 10.7467 10.7646 11.0123 11.0492 12.0916 12.1402 12.8022 12.9450 k = 0.5000 0.2887 0.1913 ( 4344 PWs) bands (ev): -4.9729 -4.9712 -4.8089 -4.8062 -4.2323 -4.2311 -0.3625 -0.3589 0.3341 0.3707 0.4676 0.5114 0.7205 0.7375 0.8401 0.8586 0.8766 0.9423 1.0829 1.1448 1.7225 1.8576 1.9481 2.0469 2.1548 2.1606 2.3619 2.3793 2.4583 2.4790 2.6693 2.6764 2.7394 2.7727 2.7906 2.8198 3.4465 3.4545 3.8349 3.8412 4.2427 4.2568 4.9720 4.9930 5.7733 5.8171 6.0940 6.1126 6.1707 6.2055 7.2043 7.2246 7.3107 7.3438 10.1300 10.1405 10.6898 10.7129 11.0371 11.0967 12.0550 12.1465 12.7558 13.0321 k = 0.5000 0.2887 0.1786 ( 4340 PWs) bands (ev): -4.9802 -4.9781 -4.7984 -4.7949 -4.2370 -4.2353 -0.3559 -0.3504 0.3219 0.3756 0.4558 0.5201 0.7154 0.7408 0.8282 0.8392 0.8855 0.9598 1.0735 1.1640 1.6854 1.8864 1.9183 2.0648 2.1531 2.1614 2.3601 2.3850 2.4505 2.4798 2.6644 2.6742 2.7414 2.7813 2.8028 2.8362 3.4441 3.4558 3.8282 3.8371 4.2565 4.2763 4.9242 4.9518 5.7921 5.8532 6.0988 6.1134 6.1696 6.2141 7.1796 7.1980 7.3321 7.3692 10.1499 10.1639 10.6194 10.6422 11.0713 11.1444 12.0126 12.1365 12.7321 13.1241 k = 0.5000 0.2887 0.1658 ( 4332 PWs) bands (ev): -4.9889 -4.9865 -4.7850 -4.7807 -4.2433 -4.2411 -0.3463 -0.3390 0.3085 0.3766 0.4460 0.5278 0.7098 0.7435 0.8097 0.8264 0.8948 0.9751 1.0676 1.1838 1.6478 1.8867 1.9133 2.0795 2.1518 2.1620 2.3595 2.3903 2.4428 2.4791 2.6594 2.6712 2.7459 2.7837 2.8273 2.8561 3.4417 3.4570 3.8204 3.8316 4.2745 4.2987 4.8703 4.9018 5.8093 5.8822 6.1013 6.1188 6.1782 6.2282 7.1577 7.1747 7.3504 7.3918 10.1785 10.1930 10.5413 10.5647 11.1051 11.1871 11.9654 12.1094 12.7327 13.2158 k = 0.5000 0.2887 0.1530 ( 4344 PWs) bands (ev): -4.9982 -4.9956 -4.7694 -4.7646 -4.2513 -4.2485 -0.3339 -0.3246 0.2936 0.3713 0.4405 0.5345 0.7038 0.7456 0.7888 0.8169 0.9045 0.9878 1.0654 1.2038 1.6102 1.8547 1.9372 2.0906 2.1512 2.1623 2.3599 2.3947 2.4359 2.4772 2.6545 2.6678 2.7521 2.7861 2.8568 2.8796 3.4397 3.4581 3.8121 3.8253 4.2935 4.3203 4.8165 4.8503 5.8184 5.8968 6.0862 6.1318 6.2025 6.2581 7.1398 7.1562 7.3652 7.4108 10.2152 10.2235 10.4591 10.4887 11.1350 11.2228 11.9140 12.0675 12.7554 13.2970 k = 0.5000 0.2887 0.1403 ( 4354 PWs) bands (ev): -5.0076 -5.0051 -4.7523 -4.7471 -4.2607 -4.2575 -0.3188 -0.3075 0.2771 0.3588 0.4402 0.5403 0.6974 0.7459 0.7694 0.8082 0.9146 0.9978 1.0669 1.2237 1.5730 1.8220 1.9587 2.0980 2.1515 2.1624 2.3612 2.3972 2.4310 2.4745 2.6499 2.6643 2.7595 2.7891 2.8898 2.9066 3.4381 3.4594 3.8035 3.8188 4.3087 4.3356 4.7701 4.8050 5.8175 5.8976 6.0623 6.1255 6.2520 6.3067 7.1268 7.1436 7.3761 7.4262 10.2390 10.2607 10.3757 10.4304 11.1597 11.2509 11.8591 12.0149 12.7958 13.3544 k = 0.5000 0.2887 0.1275 ( 4346 PWs) bands (ev): -5.0167 -5.0143 -4.7340 -4.7285 -4.2715 -4.2679 -0.3011 -0.2878 0.2589 0.3403 0.4438 0.5452 0.6905 0.7389 0.7580 0.8003 0.9252 1.0056 1.0714 1.2430 1.5368 1.7890 1.9779 2.1020 2.1528 2.1624 2.3629 2.3970 2.4290 2.4715 2.6458 2.6608 2.7672 2.7925 2.9255 2.9370 3.4372 3.4610 3.7950 3.8125 4.3136 4.3376 4.7388 4.7747 5.8081 5.8886 6.0314 6.1035 6.3171 6.3684 7.1190 7.1374 7.3830 7.4376 10.2127 10.2844 10.3192 10.4212 11.1790 11.2717 11.8012 11.9552 12.8496 13.3926 k = 0.5000 0.2887 0.1148 ( 4344 PWs) bands (ev): -5.0254 -5.0231 -4.7149 -4.7092 -4.2835 -4.2795 -0.2810 -0.2656 0.2389 0.3177 0.4497 0.5491 0.6831 0.7231 0.7564 0.7931 0.9361 1.0123 1.0778 1.2611 1.5025 1.7561 1.9947 2.1032 2.1547 2.1623 2.3649 2.3943 2.4297 2.4686 2.6422 2.6575 2.7749 2.7962 2.9631 2.9703 3.4373 3.4633 3.7865 3.8066 4.3017 4.3203 4.7294 4.7665 5.7922 5.8728 5.9948 6.0720 6.3886 6.4372 7.1164 7.1377 7.3857 7.4451 10.1482 10.2037 10.3738 10.4577 11.1929 11.2860 11.7407 11.8911 12.9129 13.4254 k = 0.5000 0.2887 0.1020 ( 4344 PWs) bands (ev): -5.0334 -5.0313 -4.6955 -4.6897 -4.2965 -4.2922 -0.2588 -0.2411 0.2171 0.2921 0.4568 0.5521 0.6752 0.7068 0.7570 0.7868 0.9474 1.0185 1.0851 1.2768 1.4714 1.7236 2.0094 2.1026 2.1565 2.1624 2.3668 2.3905 2.4318 2.4659 2.6393 2.6542 2.7823 2.7998 3.0017 3.0062 3.4388 3.4666 3.7781 3.8011 4.2714 4.2841 4.7431 4.7820 5.7709 5.8505 5.9555 6.0344 6.4619 6.5085 7.1186 7.1443 7.3844 7.4487 10.0726 10.1209 10.4379 10.5135 11.2018 11.2949 11.6778 11.8243 12.9829 13.4578 k = 0.5000 0.2887 0.0893 ( 4348 PWs) bands (ev): -5.0406 -5.0388 -4.6759 -4.6701 -4.3102 -4.3057 -0.2345 -0.2146 0.1936 0.2640 0.4646 0.5540 0.6667 0.6922 0.7579 0.7814 0.9590 1.0247 1.0927 1.2883 1.4456 1.6917 2.0222 2.1007 2.1578 2.1626 2.3683 2.3867 2.4345 2.4635 2.6370 2.6512 2.7891 2.8032 3.0397 3.0441 3.4422 3.4715 3.7697 3.7961 4.2267 4.2349 4.7756 4.8162 5.7444 5.8197 5.9184 5.9940 6.5340 6.5788 7.1249 7.1564 7.3793 7.4484 9.9971 10.0411 10.5071 10.5781 11.2060 11.2994 11.6129 11.7560 13.0569 13.4896 k = 0.5000 0.2887 0.0765 ( 4354 PWs) bands (ev): -5.0470 -5.0454 -4.6566 -4.6510 -4.3243 -4.3198 -0.2086 -0.1864 0.1684 0.2340 0.4728 0.5547 0.6581 0.6799 0.7588 0.7770 0.9707 1.0306 1.1007 1.2922 1.4286 1.6608 2.0332 2.0981 2.1586 2.1628 2.3694 2.3832 2.4372 2.4615 2.6353 2.6484 2.7951 2.8064 3.0766 3.0824 3.4481 3.4784 3.7609 3.7912 4.1736 4.1797 4.8212 4.8627 5.7120 5.7776 5.8887 5.9541 6.6027 6.6451 7.1348 7.1733 7.3706 7.4443 9.9262 9.9663 10.5804 10.6475 11.2059 11.3007 11.5463 11.6872 13.1329 13.5191 k = 0.5000 0.2887 0.0638 ( 4350 PWs) bands (ev): -5.0525 -5.0512 -4.6380 -4.6326 -4.3384 -4.3339 -0.1811 -0.1567 0.1419 0.2026 0.4814 0.5539 0.6501 0.6698 0.7596 0.7733 0.9823 1.0358 1.1094 1.2858 1.4235 1.6309 2.0428 2.0950 2.1591 2.1630 2.3700 2.3804 2.4399 2.4597 2.6343 2.6458 2.8004 2.8092 3.1116 3.1187 3.4571 3.4880 3.7516 3.7860 4.1169 4.1244 4.8749 4.9164 5.6728 5.7261 5.8673 5.9181 6.6659 6.7049 7.1477 7.1940 7.3588 7.4363 9.8626 9.8981 10.6568 10.7197 11.2013 11.2992 11.4791 11.6190 13.2087 13.5436 k = 0.5000 0.2887 0.0510 ( 4344 PWs) bands (ev): -5.0570 -5.0559 -4.6205 -4.6156 -4.3518 -4.3476 -0.1527 -0.1261 0.1146 0.1700 0.4902 0.5514 0.6435 0.6613 0.7604 0.7704 0.9937 1.0395 1.1196 1.2702 1.4294 1.6023 2.0511 2.0916 2.1595 2.1631 2.3703 2.3782 2.4424 2.4581 2.6338 2.6435 2.8049 2.8114 3.1434 3.1510 3.4698 3.5004 3.7417 3.7795 4.0620 4.0724 4.9329 4.9730 5.6273 5.6697 5.8520 5.8883 6.7219 6.7561 7.1632 7.2172 7.3446 7.4247 9.8083 9.8384 10.7355 10.7930 11.1917 11.2932 11.4143 11.5531 13.2822 13.5605 k = 0.5000 0.2887 0.0383 ( 4360 PWs) bands (ev): -5.0605 -5.0597 -4.6050 -4.6009 -4.3639 -4.3603 -0.1236 -0.0956 0.0873 0.1370 0.4992 0.5471 0.6392 0.6542 0.7611 0.7680 1.0046 1.0410 1.1319 1.2494 1.4425 1.5749 2.0583 2.0879 2.1599 2.1629 2.3706 2.3764 2.4448 2.4565 2.6339 2.6413 2.8085 2.8131 3.1703 3.1773 3.4863 3.5151 3.7317 3.7706 4.0139 4.0265 4.9917 5.0283 5.5786 5.6128 5.8414 5.8655 6.7688 6.7966 7.1808 7.2405 7.3297 7.4095 9.7651 9.7888 10.8154 10.8661 11.1756 11.2725 11.3639 11.4916 13.3514 13.5672 k = 0.5000 0.2887 0.0255 ( 4364 PWs) bands (ev): -5.0630 -5.0625 -4.5924 -4.5893 -4.3736 -4.3708 -0.0948 -0.0672 0.0622 0.1043 0.5082 0.5412 0.6372 0.6481 0.7618 0.7662 1.0146 1.0401 1.1467 1.2269 1.4597 1.5489 2.0646 2.0840 2.1603 2.1625 2.3709 2.3748 2.4471 2.4549 2.6343 2.6394 2.8112 2.8142 3.1908 3.1962 3.5054 3.5296 3.7232 3.7578 3.9775 3.9896 5.0468 5.0766 5.5333 5.5599 5.8348 5.8493 6.8052 6.8249 7.2003 7.2578 7.3200 7.3909 9.7344 9.7508 10.8950 10.9368 11.1509 11.2220 11.3454 11.4380 13.4142 13.5619 k = 0.5000 0.2887 0.0128 ( 4364 PWs) bands (ev): -5.0645 -5.0642 -4.5837 -4.5821 -4.3797 -4.3782 -0.0680 -0.0473 0.0458 0.0737 0.5171 0.5339 0.6375 0.6432 0.7627 0.7648 1.0236 1.0367 1.1639 1.2046 1.4794 1.5243 2.0701 2.0797 2.1608 2.1619 2.3715 2.3735 2.4493 2.4531 2.6352 2.6378 2.8131 2.8146 3.2041 3.2071 3.5240 3.5386 3.7204 3.7417 3.9568 3.9644 5.0912 5.1089 5.5017 5.5174 5.8320 5.8388 6.8297 6.8400 7.2209 7.2570 7.3269 7.3696 9.7173 9.7256 10.9712 11.0012 11.1167 11.1561 11.3492 11.3955 13.4684 13.5436 k = 0.5000 0.2887-0.0000 ( 4362 PWs) bands (ev): -5.0649 -5.0649 -4.5801 -4.5801 -4.3814 -4.3814 -0.0483 -0.0483 0.0503 0.0503 0.5258 0.5258 0.6396 0.6396 0.7636 0.7636 1.0310 1.0310 1.1833 1.1833 1.5011 1.5011 2.0752 2.0752 2.1614 2.1614 2.3724 2.3724 2.4513 2.4513 2.6363 2.6363 2.8143 2.8143 3.2096 3.2096 3.5368 3.5368 3.7271 3.7271 3.9528 3.9528 5.1147 5.1147 5.4953 5.4953 5.8332 5.8332 6.8416 6.8416 7.2412 7.2412 7.3470 7.3470 9.7143 9.7143 11.0283 11.0283 11.1009 11.1009 11.3660 11.3660 13.5121 13.5121 k = 0.3333 0.5774-0.0000 ( 4350 PWs) bands (ev): -4.9724 -4.9724 -4.4747 -4.4747 -4.4741 -4.4616 -0.0411 -0.0411 -0.0323 0.0807 0.6404 0.6404 0.7620 0.7800 0.7800 0.8182 0.9143 0.9143 1.2033 1.3208 1.5079 1.5079 2.0668 2.0668 2.2444 2.2444 2.3527 2.4182 2.4918 2.4918 2.7276 2.7276 2.7607 2.7805 2.8586 2.8586 3.7733 3.7733 3.9916 4.0563 4.0563 4.1115 4.4935 4.4935 5.1907 5.2002 5.2895 5.2895 6.5589 6.5589 7.1453 7.1453 7.1540 7.2159 10.4717 10.4717 10.6773 10.7912 10.8671 10.8671 13.4447 13.4447 13.6716 13.6765 k = 0.3333 0.5774 0.0128 ( 4362 PWs) bands (ev): -4.9720 -4.9717 -4.4961 -4.4901 -4.4537 -4.4461 -0.0727 -0.0416 -0.0088 0.0904 0.6402 0.6404 0.7619 0.7765 0.7827 0.8183 0.9105 0.9174 1.2014 1.3247 1.4862 1.5300 2.0663 2.0679 2.2415 2.2463 2.3522 2.4178 2.4898 2.4941 2.7164 2.7350 2.7602 2.7812 2.8472 2.8697 3.7711 3.7750 3.9857 4.0423 4.0698 4.1168 4.4973 4.4995 5.1550 5.2394 5.2570 5.3259 6.5538 6.5546 7.0837 7.1103 7.2013 7.2536 10.4732 10.4823 10.6595 10.8160 10.8232 10.9172 13.4217 13.4583 13.6623 13.6695 k = 0.3333 0.5774 0.0255 ( 4362 PWs) bands (ev): -4.9705 -4.9699 -4.5179 -4.5113 -4.4333 -4.4262 -0.1032 -0.0634 0.0241 0.1135 0.6397 0.6402 0.7616 0.7724 0.7845 0.8185 0.9060 0.9196 1.1965 1.3359 1.4649 1.5525 2.0663 2.0694 2.2378 2.2468 2.3504 2.4167 2.4885 2.4963 2.7027 2.7368 2.7590 2.7831 2.8376 2.8790 3.7686 3.7765 3.9710 4.0278 4.0823 4.1299 4.5110 4.5153 5.1195 5.2294 5.2857 5.3658 6.5396 6.5413 7.0172 7.0408 7.2511 7.3051 10.4867 10.5048 10.6273 10.7861 10.8690 10.9727 13.3902 13.4620 13.6360 13.6521 k = 0.3333 0.5774 0.0383 ( 4335 PWs) bands (ev): -4.9679 -4.9671 -4.5398 -4.5330 -4.4134 -4.4067 -0.1326 -0.0901 0.0576 0.1425 0.6391 0.6398 0.7612 0.7675 0.7856 0.8190 0.9011 0.9211 1.1900 1.3527 1.4439 1.5756 2.0668 2.0712 2.2337 2.2456 2.3475 2.4148 2.4879 2.4974 2.6877 2.7317 2.7572 2.7858 2.8323 2.8857 3.7662 3.7779 3.9517 4.0133 4.0935 4.1461 4.5341 4.5399 5.0892 5.2072 5.3341 5.4083 6.5164 6.5192 6.9463 6.9646 7.2944 7.3514 10.5120 10.5388 10.5975 10.7563 10.9331 11.0329 13.3510 13.4551 13.5961 13.6248 k = 0.3333 0.5774 0.0510 ( 4329 PWs) bands (ev): -4.9643 -4.9631 -4.5618 -4.5550 -4.3943 -4.3879 -0.1607 -0.1182 0.0914 0.1737 0.6382 0.6390 0.7606 0.7619 0.7858 0.8197 0.8958 0.9217 1.1831 1.3740 1.4232 1.5993 2.0678 2.0732 2.2295 2.2427 2.3436 2.4121 2.4878 2.4965 2.6724 2.7206 2.7552 2.7890 2.8313 2.8895 3.7639 3.7796 3.9307 3.9992 4.1030 4.1619 4.5659 4.5728 5.0653 5.1911 5.3839 5.4528 6.4850 6.4891 6.8717 6.8841 7.3308 7.3905 10.5484 10.5745 10.5836 10.7340 11.0033 11.0968 13.3051 13.4377 13.5458 13.5887 k = 0.3333 0.5774 0.0638 ( 4341 PWs) bands (ev): -4.9596 -4.9581 -4.5840 -4.5771 -4.3760 -4.3700 -0.1874 -0.1462 0.1254 0.2059 0.6369 0.6379 0.7557 0.7599 0.7852 0.8205 0.8903 0.9215 1.1767 1.3989 1.4028 1.6235 2.0691 2.0751 2.2254 2.2380 2.3386 2.4088 2.4874 2.4923 2.6579 2.7067 2.7531 2.7927 2.8334 2.8902 3.7622 3.7820 3.9095 3.9859 4.1103 4.1751 4.6053 4.6129 5.0487 5.1816 5.4345 5.4987 6.4459 6.4516 6.7941 6.8005 7.3603 7.4219 10.5598 10.5952 10.6379 10.7196 11.0774 11.1633 13.2533 13.4101 13.4875 13.5448 k = 0.3333 0.5774 0.0765 ( 4353 PWs) bands (ev): -4.9538 -4.9521 -4.6060 -4.5992 -4.3587 -4.3530 -0.2125 -0.1735 0.1594 0.2382 0.6351 0.6361 0.7490 0.7590 0.7836 0.8216 0.8849 0.9206 1.1712 1.3827 1.4267 1.6484 2.0707 2.0765 2.2215 2.2317 2.3327 2.4048 2.4838 2.4855 2.6456 2.6933 2.7509 2.7966 2.8366 2.8882 3.7611 3.7854 3.8891 3.9739 4.1149 4.1842 4.6513 4.6592 5.0402 5.1791 5.4851 5.5453 6.4002 6.4078 6.7142 6.7147 7.3830 7.4453 10.5536 10.6514 10.6957 10.7179 11.1538 11.2313 13.1966 13.3737 13.4230 13.4943 k = 0.3333 0.5774 0.0893 ( 4353 PWs) bands (ev): -4.9470 -4.9450 -4.6279 -4.6212 -4.3424 -4.3371 -0.2358 -0.1995 0.1933 0.2702 0.6326 0.6336 0.7419 0.7580 0.7813 0.8228 0.8795 0.9191 1.1669 1.3630 1.4573 1.6739 2.0721 2.0769 2.2179 2.2243 2.3260 2.4003 2.4704 2.4807 2.6372 2.6829 2.7486 2.8006 2.8402 2.8835 3.7608 3.7902 3.8698 3.9638 4.1166 4.1882 4.7030 4.7109 5.0404 5.1839 5.5352 5.5920 6.3489 6.3586 6.6275 6.6326 7.3992 7.4610 10.5558 10.7074 10.7161 10.7767 11.2311 11.2996 13.1362 13.3300 13.3538 13.4385 k = 0.3333 0.5774 0.1020 ( 4359 PWs) bands (ev): -4.9391 -4.9368 -4.6497 -4.6431 -4.3273 -4.3224 -0.2572 -0.2240 0.2269 0.3017 0.6294 0.6301 0.7347 0.7570 0.7783 0.8242 0.8745 0.9172 1.1639 1.3437 1.4903 1.7000 2.0729 2.0755 2.2147 2.2161 2.3185 2.3953 2.4526 2.4721 2.6337 2.6766 2.7461 2.8048 2.8433 2.8766 3.7610 3.7963 3.8520 3.9559 4.1152 4.1869 4.7593 4.7670 5.0490 5.1957 5.5840 5.6379 6.2931 6.3052 6.5398 6.5500 7.4096 7.4696 10.5658 10.7128 10.7880 10.8544 11.3078 11.3665 13.0735 13.2811 13.2816 13.3783 k = 0.3333 0.5774 0.1148 ( 4353 PWs) bands (ev): -4.9302 -4.9276 -4.6711 -4.6646 -4.3134 -4.3090 -0.2765 -0.2467 0.2601 0.3324 0.6251 0.6252 0.7275 0.7559 0.7747 0.8258 0.8698 0.9149 1.1624 1.3249 1.5255 1.7266 2.0714 2.0726 2.2080 2.2122 2.3105 2.3900 2.4322 2.4596 2.6352 2.6743 2.7435 2.8090 2.8458 2.8678 3.7615 3.8038 3.8358 3.9508 4.1108 4.1804 4.8192 4.8267 5.0657 5.2141 5.6308 5.6824 6.2341 6.2488 6.4524 6.4672 7.4148 7.4718 10.5827 10.7222 10.8659 10.9380 11.3821 11.4303 13.0103 13.2080 13.2295 13.3150 k = 0.3333 0.5774 0.1275 ( 4344 PWs) bands (ev): -4.9203 -4.9174 -4.6922 -4.6859 -4.3009 -4.2969 -0.2937 -0.2674 0.2927 0.3621 0.6184 0.6198 0.7208 0.7549 0.7708 0.8275 0.8655 0.9124 1.1623 1.3066 1.5628 1.7536 2.0632 2.0704 2.2006 2.2105 2.3019 2.3843 2.4112 2.4441 2.6412 2.6750 2.7406 2.8133 2.8476 2.8574 3.7622 3.8126 3.8213 3.9490 4.1037 4.1691 4.8816 4.8889 5.0891 5.2383 5.6747 5.7247 6.1735 6.1906 6.3665 6.3849 7.4159 7.4687 10.6051 10.7348 10.9485 11.0257 11.4522 11.4887 12.9489 13.1349 13.1773 13.2495 k = 0.3333 0.5774 0.1403 ( 4356 PWs) bands (ev): -4.9095 -4.9063 -4.7129 -4.7067 -4.2898 -4.2863 -0.3087 -0.2859 0.3245 0.3908 0.6096 0.6129 0.7149 0.7538 0.7668 0.8294 0.8616 0.9100 1.1637 1.2890 1.6017 1.7809 2.0498 2.0654 2.1949 2.2101 2.2930 2.3786 2.3920 2.4270 2.6503 2.6779 2.7374 2.8175 2.8458 2.8485 3.7629 3.8086 3.8224 3.9507 4.0944 4.1539 4.9454 4.9525 5.1178 5.2669 5.7149 5.7638 6.1129 6.1323 6.2833 6.3040 7.4140 7.4615 10.6316 10.7489 11.0343 11.1158 11.5155 11.5390 12.8919 13.0650 13.1269 13.1830 k = 0.3333 0.5774 0.1530 ( 4347 PWs) bands (ev): -4.8976 -4.8942 -4.7330 -4.7271 -4.2802 -4.2773 -0.3212 -0.3021 0.3553 0.4183 0.5984 0.6044 0.7099 0.7529 0.7630 0.8314 0.8580 0.9076 1.1666 1.2722 1.6423 1.8081 2.0303 2.0570 2.1914 2.2112 2.2838 2.3728 2.3760 2.4096 2.6616 2.6822 2.7339 2.8217 2.8334 2.8487 3.7633 3.7977 3.8328 3.9560 4.0838 4.1357 5.0092 5.0162 5.1496 5.2983 5.7505 5.7988 6.0548 6.0756 6.2044 6.2254 7.4103 7.4515 10.6604 10.7631 11.1219 11.2066 11.5691 11.5780 12.8427 13.0012 13.0800 13.1168 k = 0.3333 0.5774 0.1658 ( 4335 PWs) bands (ev): -4.8848 -4.8811 -4.7527 -4.7470 -4.2722 -4.2698 -0.3312 -0.3159 0.3848 0.4444 0.5850 0.5941 0.7060 0.7521 0.7595 0.8335 0.8547 0.9055 1.1710 1.2562 1.6841 1.8350 2.0045 2.0453 2.1902 2.2140 2.2745 2.3641 2.3672 2.3931 2.6740 2.6875 2.7300 2.8206 2.8258 2.8482 3.7636 3.7886 3.8433 3.9648 4.0726 4.1153 5.0710 5.0782 5.1818 5.3297 5.7803 5.8283 6.0020 6.0231 6.1319 6.1507 7.4060 7.4401 10.6897 10.7754 11.2095 11.2959 11.6023 11.6096 12.8048 12.9471 13.0372 13.0523 k = 0.3333 0.5774 0.1786 ( 4341 PWs) bands (ev): -4.8711 -4.8671 -4.7718 -4.7662 -4.2658 -4.2640 -0.3386 -0.3271 0.4127 0.4691 0.5696 0.5819 0.7032 0.7515 0.7567 0.8358 0.8516 0.9038 1.1769 1.2412 1.7268 1.8609 1.9730 2.0307 2.1908 2.2184 2.2653 2.3562 2.3620 2.3787 2.6867 2.6931 2.7257 2.8079 2.8297 2.8470 3.7639 3.7812 3.8532 3.9770 4.0619 4.0938 5.1284 5.1361 5.2112 5.3578 5.8037 5.8502 5.9588 5.9790 6.0685 6.0814 7.4023 7.4285 10.7177 10.7842 11.2950 11.3815 11.6088 11.6335 12.7810 12.9067 12.9915 12.9966 k = 0.3333 0.5774 0.1913 ( 4344 PWs) bands (ev): -4.8566 -4.8523 -4.7902 -4.7849 -4.2612 -4.2600 -0.3435 -0.3358 0.4380 0.4922 0.5531 0.5677 0.7012 0.7512 0.7544 0.8382 0.8487 0.9024 1.1842 1.2273 1.7701 1.8845 1.9371 2.0149 2.1922 2.2242 2.2561 2.3518 2.3573 2.3674 2.6984 2.6990 2.7210 2.7963 2.8334 2.8452 3.7646 3.7753 3.8614 3.9921 4.0528 4.0718 5.1781 5.1858 5.2335 5.3787 5.8204 5.8599 5.9304 5.9507 6.0174 6.0202 7.4002 7.4180 10.7427 10.7881 11.3761 11.4604 11.5960 11.6377 12.7724 12.8829 12.9373 12.9554 k = 0.3333 0.5774 0.2041 ( 4347 PWs) bands (ev): -4.8412 -4.8366 -4.8079 -4.8029 -4.2582 -4.2576 -0.3456 -0.3417 0.4586 0.5138 0.5378 0.5516 0.7001 0.7513 0.7528 0.8407 0.8459 0.9016 1.1930 1.2146 1.8135 1.8978 1.9033 2.0007 2.1936 2.2311 2.2473 2.3503 2.3536 2.3601 2.7049 2.7074 2.7160 2.7874 2.8369 2.8429 3.7658 3.7709 3.8670 4.0096 4.0466 4.0500 5.2161 5.2212 5.2440 5.3902 5.8320 5.8543 5.9217 5.9452 5.9707 5.9804 7.4004 7.4094 10.7631 10.7862 11.4497 11.5291 11.5640 11.6209 12.7759 12.8777 12.8954 12.9177 k = 0.3333 0.5774 0.2168 ( 4350 PWs) bands (ev): -4.8257 -4.8241 -4.8201 -4.8201 -4.2571 -4.2571 -0.3450 -0.3450 0.4678 0.5304 0.5336 0.5336 0.6998 0.7518 0.7518 0.8433 0.8433 0.9014 1.2031 1.2031 1.8563 1.8563 1.9111 1.9944 2.1941 2.2389 2.2389 2.3511 2.3511 2.3576 2.7105 2.7105 2.7109 2.7840 2.8401 2.8401 3.7678 3.7678 3.8690 4.0291 4.0291 4.0444 5.2344 5.2387 5.2387 5.3935 5.8426 5.8426 5.9304 5.9417 5.9567 5.9567 7.4034 7.4034 10.7778 10.7778 11.5053 11.5225 11.5838 11.5838 12.7807 12.8777 12.8902 12.8902 Writing output data file HgS.save init_run : 0.67s CPU 0.95s WALL ( 1 calls) electrons : 669.76s CPU 674.73s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.05s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 669.76s CPU 674.72s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.03s WALL ( 1 calls) newd : 0.34s CPU 0.34s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.05s WALL ( 306 calls) cegterg : 645.22s CPU 649.79s WALL ( 665 calls) Called by sum_band: Called by *egterg: h_psi : 338.43s CPU 346.92s WALL ( 12405 calls) s_psi : 42.29s CPU 42.38s WALL ( 12405 calls) g_psi : 0.80s CPU 0.84s WALL ( 11434 calls) cdiaghg : 198.73s CPU 194.46s WALL ( 11740 calls) cegterg:over : 34.24s CPU 31.73s WALL ( 11434 calls) cegterg:upda : 13.31s CPU 17.07s WALL ( 11434 calls) cegterg:last : 12.92s CPU 13.97s WALL ( 2501 calls) Called by h_psi: h_psi:vloc : 289.19s CPU 295.68s WALL ( 12405 calls) h_psi:vnl : 49.06s CPU 50.70s WALL ( 12405 calls) add_vuspsi : 25.64s CPU 28.97s WALL ( 12405 calls) General routines calbec : 23.40s CPU 21.69s WALL ( 12405 calls) fft : 0.04s CPU 0.07s WALL ( 19 calls) ffts : 0.00s CPU 0.01s WALL ( 4 calls) fftw : 278.30s CPU 279.26s WALL ( 1964360 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.04s CPU 0.13s WALL ( 612 calls) Parallel routines fft_scatter : 200.87s CPU 176.55s WALL ( 1964383 calls) PWSCF : 11m39.77s CPU 11m54.40s WALL This run was terminated on: 14:23:53 27Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=