Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:22:59 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Hf2SN2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 28 16 5 1294 586 97 Max 30 17 6 1299 611 102 Sum 1027 595 187 46659 21611 3575 bravais-lattice index = 14 lattice parameter (alat) = 6.7662 a.u. unit-cell volume = 479.9785 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.766164 celldm(2)= 1.000000 celldm(3)= 1.789219 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 1.789219 ) 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 0.558903 ) PseudoPot. # 1 for S read from file: /users/gautes/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 Hf read from file: /users/gautes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 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 1271 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. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Hf 12.00 178.49000 Hf( 1.00) N 5.00 14.00670 N( 1.00) 12 Sym. Ops., with inversion, found 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 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) 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 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 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 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 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -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 -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 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 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 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 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 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 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 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 364 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 2) = ( 0.0098039 0.0056603 -0.0000000), wk = 0.0027473 k( 3) = ( 0.0196078 0.0113206 -0.0000000), wk = 0.0027473 k( 4) = ( 0.0294118 0.0169809 -0.0000000), wk = 0.0027473 k( 5) = ( 0.0392157 0.0226412 -0.0000000), wk = 0.0027473 k( 6) = ( 0.0490196 0.0283015 -0.0000000), wk = 0.0027473 k( 7) = ( 0.0588235 0.0339618 -0.0000000), wk = 0.0027473 k( 8) = ( 0.0686275 0.0396221 -0.0000000), wk = 0.0027473 k( 9) = ( 0.0784314 0.0452824 -0.0000000), wk = 0.0027473 k( 10) = ( 0.0882353 0.0509427 -0.0000000), wk = 0.0027473 k( 11) = ( 0.0980392 0.0566030 -0.0000000), wk = 0.0027473 k( 12) = ( 0.1078431 0.0622633 -0.0000000), wk = 0.0027473 k( 13) = ( 0.1176471 0.0679236 -0.0000000), wk = 0.0027473 k( 14) = ( 0.1274510 0.0735839 -0.0000000), wk = 0.0027473 k( 15) = ( 0.1372549 0.0792442 -0.0000000), wk = 0.0027473 k( 16) = ( 0.1470588 0.0849044 -0.0000000), wk = 0.0027473 k( 17) = ( 0.1568627 0.0905648 -0.0000000), wk = 0.0027473 k( 18) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0027473 k( 19) = ( 0.1764706 0.1018853 -0.0000000), wk = 0.0027473 k( 20) = ( 0.1862745 0.1075456 -0.0000000), wk = 0.0027473 k( 21) = ( 0.1960784 0.1132059 -0.0000000), wk = 0.0027473 k( 22) = ( 0.2058823 0.1188662 -0.0000000), wk = 0.0027473 k( 23) = ( 0.2156863 0.1245265 -0.0000000), wk = 0.0027473 k( 24) = ( 0.2254902 0.1301868 -0.0000000), wk = 0.0027473 k( 25) = ( 0.2352941 0.1358471 -0.0000000), wk = 0.0027473 k( 26) = ( 0.2450980 0.1415074 -0.0000000), wk = 0.0027473 k( 27) = ( 0.2549020 0.1471677 -0.0000000), wk = 0.0027473 k( 28) = ( 0.2647059 0.1528280 -0.0000000), wk = 0.0027473 k( 29) = ( 0.2745098 0.1584883 -0.0000000), wk = 0.0027473 k( 30) = ( 0.2843137 0.1641486 -0.0000000), wk = 0.0027473 k( 31) = ( 0.2941177 0.1698089 -0.0000000), wk = 0.0027473 k( 32) = ( 0.3039216 0.1754692 -0.0000000), wk = 0.0027473 k( 33) = ( 0.3137255 0.1811295 -0.0000000), wk = 0.0027473 k( 34) = ( 0.3235294 0.1867898 -0.0000000), wk = 0.0027473 k( 35) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0027473 k( 36) = ( 0.3431373 0.1981104 -0.0000000), wk = 0.0027473 k( 37) = ( 0.3529412 0.2037707 -0.0000000), wk = 0.0027473 k( 38) = ( 0.3627451 0.2094310 -0.0000000), wk = 0.0027473 k( 39) = ( 0.3725490 0.2150913 -0.0000000), wk = 0.0027473 k( 40) = ( 0.3823529 0.2207516 -0.0000000), wk = 0.0027473 k( 41) = ( 0.3921569 0.2264119 -0.0000000), wk = 0.0027473 k( 42) = ( 0.4019608 0.2320722 -0.0000000), wk = 0.0027473 k( 43) = ( 0.4117647 0.2377325 -0.0000000), wk = 0.0027473 k( 44) = ( 0.4215686 0.2433928 -0.0000000), wk = 0.0027473 k( 45) = ( 0.4313726 0.2490531 -0.0000000), wk = 0.0027473 k( 46) = ( 0.4411765 0.2547134 -0.0000000), wk = 0.0027473 k( 47) = ( 0.4509804 0.2603736 -0.0000000), wk = 0.0027473 k( 48) = ( 0.4607843 0.2660339 -0.0000000), wk = 0.0027473 k( 49) = ( 0.4705882 0.2716942 -0.0000000), wk = 0.0027473 k( 50) = ( 0.4803922 0.2773545 -0.0000000), wk = 0.0027473 k( 51) = ( 0.4901961 0.2830148 -0.0000000), wk = 0.0027473 k( 52) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027473 k( 53) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027473 k( 54) = ( 0.4944444 0.2982976 -0.0000000), wk = 0.0027473 k( 55) = ( 0.4888889 0.3079201 -0.0000000), wk = 0.0027473 k( 56) = ( 0.4833333 0.3175426 -0.0000000), wk = 0.0027473 k( 57) = ( 0.4777778 0.3271651 -0.0000000), wk = 0.0027473 k( 58) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0027473 k( 59) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0027473 k( 60) = ( 0.4611111 0.3560327 -0.0000000), wk = 0.0027473 k( 61) = ( 0.4555556 0.3656552 -0.0000000), wk = 0.0027473 k( 62) = ( 0.4500000 0.3752777 -0.0000000), wk = 0.0027473 k( 63) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0027473 k( 64) = ( 0.4388889 0.3945227 -0.0000000), wk = 0.0027473 k( 65) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0027473 k( 66) = ( 0.4277778 0.4137677 -0.0000000), wk = 0.0027473 k( 67) = ( 0.4222222 0.4233902 -0.0000000), wk = 0.0027473 k( 68) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0027473 k( 69) = ( 0.4111111 0.4426352 -0.0000000), wk = 0.0027473 k( 70) = ( 0.4055556 0.4522577 -0.0000000), wk = 0.0027473 k( 71) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0027473 k( 72) = ( 0.3944444 0.4715027 -0.0000000), wk = 0.0027473 k( 73) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0027473 k( 74) = ( 0.3833333 0.4907477 -0.0000000), wk = 0.0027473 k( 75) = ( 0.3777778 0.5003702 -0.0000000), wk = 0.0027473 k( 76) = ( 0.3722222 0.5099927 -0.0000000), wk = 0.0027473 k( 77) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0027473 k( 78) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0027473 k( 79) = ( 0.3555556 0.5388603 -0.0000000), wk = 0.0027473 k( 80) = ( 0.3500000 0.5484828 -0.0000000), wk = 0.0027473 k( 81) = ( 0.3444444 0.5581053 -0.0000000), wk = 0.0027473 k( 82) = ( 0.3388889 0.5677278 -0.0000000), wk = 0.0027473 k( 83) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027473 k( 84) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027473 k( 85) = ( 0.3276836 0.5675647 -0.0000000), wk = 0.0027473 k( 86) = ( 0.3220339 0.5577791 -0.0000000), wk = 0.0027473 k( 87) = ( 0.3163842 0.5479935 -0.0000000), wk = 0.0027473 k( 88) = ( 0.3107345 0.5382079 -0.0000000), wk = 0.0027473 k( 89) = ( 0.3050848 0.5284223 -0.0000000), wk = 0.0027473 k( 90) = ( 0.2994350 0.5186367 -0.0000000), wk = 0.0027473 k( 91) = ( 0.2937853 0.5088511 -0.0000000), wk = 0.0027473 k( 92) = ( 0.2881356 0.4990655 -0.0000000), wk = 0.0027473 k( 93) = ( 0.2824859 0.4892799 -0.0000000), wk = 0.0027473 k( 94) = ( 0.2768362 0.4794943 -0.0000000), wk = 0.0027473 k( 95) = ( 0.2711864 0.4697087 -0.0000000), wk = 0.0027473 k( 96) = ( 0.2655367 0.4599231 -0.0000000), wk = 0.0027473 k( 97) = ( 0.2598870 0.4501375 -0.0000000), wk = 0.0027473 k( 98) = ( 0.2542373 0.4403519 -0.0000000), wk = 0.0027473 k( 99) = ( 0.2485876 0.4305663 -0.0000000), wk = 0.0027473 k( 100) = ( 0.2429379 0.4207807 -0.0000000), wk = 0.0027473 k( 101) = ( 0.2372881 0.4109951 -0.0000000), wk = 0.0027473 k( 102) = ( 0.2316384 0.4012095 -0.0000000), wk = 0.0027473 k( 103) = ( 0.2259887 0.3914239 -0.0000000), wk = 0.0027473 k( 104) = ( 0.2203390 0.3816383 -0.0000000), wk = 0.0027473 k( 105) = ( 0.2146893 0.3718527 -0.0000000), wk = 0.0027473 k( 106) = ( 0.2090395 0.3620671 -0.0000000), wk = 0.0027473 k( 107) = ( 0.2033898 0.3522815 -0.0000000), wk = 0.0027473 k( 108) = ( 0.1977401 0.3424959 -0.0000000), wk = 0.0027473 k( 109) = ( 0.1920904 0.3327103 -0.0000000), wk = 0.0027473 k( 110) = ( 0.1864407 0.3229247 -0.0000000), wk = 0.0027473 k( 111) = ( 0.1807910 0.3131391 -0.0000000), wk = 0.0027473 k( 112) = ( 0.1751412 0.3033535 -0.0000000), wk = 0.0027473 k( 113) = ( 0.1694915 0.2935679 -0.0000000), wk = 0.0027473 k( 114) = ( 0.1638418 0.2837823 -0.0000000), wk = 0.0027473 k( 115) = ( 0.1581921 0.2739967 -0.0000000), wk = 0.0027473 k( 116) = ( 0.1525424 0.2642111 -0.0000000), wk = 0.0027473 k( 117) = ( 0.1468927 0.2544256 -0.0000000), wk = 0.0027473 k( 118) = ( 0.1412429 0.2446399 -0.0000000), wk = 0.0027473 k( 119) = ( 0.1355932 0.2348543 -0.0000000), wk = 0.0027473 k( 120) = ( 0.1299435 0.2250687 -0.0000000), wk = 0.0027473 k( 121) = ( 0.1242938 0.2152832 -0.0000000), wk = 0.0027473 k( 122) = ( 0.1186441 0.2054976 -0.0000000), wk = 0.0027473 k( 123) = ( 0.1129943 0.1957120 -0.0000000), wk = 0.0027473 k( 124) = ( 0.1073446 0.1859264 -0.0000000), wk = 0.0027473 k( 125) = ( 0.1016949 0.1761408 -0.0000000), wk = 0.0027473 k( 126) = ( 0.0960452 0.1663552 -0.0000000), wk = 0.0027473 k( 127) = ( 0.0903955 0.1565696 -0.0000000), wk = 0.0027473 k( 128) = ( 0.0847458 0.1467840 -0.0000000), wk = 0.0027473 k( 129) = ( 0.0790961 0.1369984 -0.0000000), wk = 0.0027473 k( 130) = ( 0.0734463 0.1272128 -0.0000000), wk = 0.0027473 k( 131) = ( 0.0677966 0.1174272 -0.0000000), wk = 0.0027473 k( 132) = ( 0.0621469 0.1076416 -0.0000000), wk = 0.0027473 k( 133) = ( 0.0564972 0.0978560 -0.0000000), wk = 0.0027473 k( 134) = ( 0.0508475 0.0880704 -0.0000000), wk = 0.0027473 k( 135) = ( 0.0451977 0.0782848 -0.0000000), wk = 0.0027473 k( 136) = ( 0.0395480 0.0684992 -0.0000000), wk = 0.0027473 k( 137) = ( 0.0338983 0.0587136 -0.0000000), wk = 0.0027473 k( 138) = ( 0.0282486 0.0489280 -0.0000000), wk = 0.0027473 k( 139) = ( 0.0225989 0.0391424 -0.0000000), wk = 0.0027473 k( 140) = ( 0.0169491 0.0293568 -0.0000000), wk = 0.0027473 k( 141) = ( 0.0112994 0.0195712 -0.0000000), wk = 0.0027473 k( 142) = ( 0.0056497 0.0097856 -0.0000000), wk = 0.0027473 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 145) = ( 0.0000000 0.0000000 0.0111781), wk = 0.0027473 k( 146) = ( 0.0000000 0.0000000 0.0223561), wk = 0.0027473 k( 147) = ( 0.0000000 0.0000000 0.0335342), wk = 0.0027473 k( 148) = ( 0.0000000 0.0000000 0.0447122), wk = 0.0027473 k( 149) = ( 0.0000000 0.0000000 0.0558903), wk = 0.0027473 k( 150) = ( 0.0000000 0.0000000 0.0670684), wk = 0.0027473 k( 151) = ( 0.0000000 0.0000000 0.0782464), wk = 0.0027473 k( 152) = ( 0.0000000 0.0000000 0.0894245), wk = 0.0027473 k( 153) = ( 0.0000000 0.0000000 0.1006025), wk = 0.0027473 k( 154) = ( 0.0000000 0.0000000 0.1117806), wk = 0.0027473 k( 155) = ( 0.0000000 0.0000000 0.1229587), wk = 0.0027473 k( 156) = ( 0.0000000 0.0000000 0.1341367), wk = 0.0027473 k( 157) = ( 0.0000000 0.0000000 0.1453148), wk = 0.0027473 k( 158) = ( 0.0000000 0.0000000 0.1564928), wk = 0.0027473 k( 159) = ( 0.0000000 0.0000000 0.1676709), wk = 0.0027473 k( 160) = ( 0.0000000 0.0000000 0.1788489), wk = 0.0027473 k( 161) = ( 0.0000000 0.0000000 0.1900270), wk = 0.0027473 k( 162) = ( 0.0000000 0.0000000 0.2012051), wk = 0.0027473 k( 163) = ( 0.0000000 0.0000000 0.2123831), wk = 0.0027473 k( 164) = ( 0.0000000 0.0000000 0.2235612), wk = 0.0027473 k( 165) = ( 0.0000000 0.0000000 0.2347392), wk = 0.0027473 k( 166) = ( 0.0000000 0.0000000 0.2459173), wk = 0.0027473 k( 167) = ( 0.0000000 0.0000000 0.2570954), wk = 0.0027473 k( 168) = ( 0.0000000 0.0000000 0.2682734), wk = 0.0027473 k( 169) = ( 0.0000000 0.0000000 0.2794515), wk = 0.0027473 k( 170) = ( 0.0000000 0.0000000 0.2794515), wk = 0.0027473 k( 171) = ( 0.0098039 0.0056603 0.2794515), wk = 0.0027473 k( 172) = ( 0.0196078 0.0113206 0.2794515), wk = 0.0027473 k( 173) = ( 0.0294118 0.0169809 0.2794515), wk = 0.0027473 k( 174) = ( 0.0392157 0.0226412 0.2794515), wk = 0.0027473 k( 175) = ( 0.0490196 0.0283015 0.2794515), wk = 0.0027473 k( 176) = ( 0.0588235 0.0339618 0.2794515), wk = 0.0027473 k( 177) = ( 0.0686275 0.0396221 0.2794515), wk = 0.0027473 k( 178) = ( 0.0784314 0.0452824 0.2794515), wk = 0.0027473 k( 179) = ( 0.0882353 0.0509427 0.2794515), wk = 0.0027473 k( 180) = ( 0.0980392 0.0566030 0.2794515), wk = 0.0027473 k( 181) = ( 0.1078431 0.0622633 0.2794515), wk = 0.0027473 k( 182) = ( 0.1176471 0.0679236 0.2794515), wk = 0.0027473 k( 183) = ( 0.1274510 0.0735839 0.2794515), wk = 0.0027473 k( 184) = ( 0.1372549 0.0792442 0.2794515), wk = 0.0027473 k( 185) = ( 0.1470588 0.0849044 0.2794515), wk = 0.0027473 k( 186) = ( 0.1568627 0.0905648 0.2794515), wk = 0.0027473 k( 187) = ( 0.1666667 0.0962250 0.2794515), wk = 0.0027473 k( 188) = ( 0.1764706 0.1018853 0.2794515), wk = 0.0027473 k( 189) = ( 0.1862745 0.1075456 0.2794515), wk = 0.0027473 k( 190) = ( 0.1960784 0.1132059 0.2794515), wk = 0.0027473 k( 191) = ( 0.2058823 0.1188662 0.2794515), wk = 0.0027473 k( 192) = ( 0.2156863 0.1245265 0.2794515), wk = 0.0027473 k( 193) = ( 0.2254902 0.1301868 0.2794515), wk = 0.0027473 k( 194) = ( 0.2352941 0.1358471 0.2794515), wk = 0.0027473 k( 195) = ( 0.2450980 0.1415074 0.2794515), wk = 0.0027473 k( 196) = ( 0.2549020 0.1471677 0.2794515), wk = 0.0027473 k( 197) = ( 0.2647059 0.1528280 0.2794515), wk = 0.0027473 k( 198) = ( 0.2745098 0.1584883 0.2794515), wk = 0.0027473 k( 199) = ( 0.2843137 0.1641486 0.2794515), wk = 0.0027473 k( 200) = ( 0.2941177 0.1698089 0.2794515), wk = 0.0027473 k( 201) = ( 0.3039216 0.1754692 0.2794515), wk = 0.0027473 k( 202) = ( 0.3137255 0.1811295 0.2794515), wk = 0.0027473 k( 203) = ( 0.3235294 0.1867898 0.2794515), wk = 0.0027473 k( 204) = ( 0.3333333 0.1924501 0.2794515), wk = 0.0027473 k( 205) = ( 0.3431373 0.1981104 0.2794515), wk = 0.0027473 k( 206) = ( 0.3529412 0.2037707 0.2794515), wk = 0.0027473 k( 207) = ( 0.3627451 0.2094310 0.2794515), wk = 0.0027473 k( 208) = ( 0.3725490 0.2150913 0.2794515), wk = 0.0027473 k( 209) = ( 0.3823529 0.2207516 0.2794515), wk = 0.0027473 k( 210) = ( 0.3921569 0.2264119 0.2794515), wk = 0.0027473 k( 211) = ( 0.4019608 0.2320722 0.2794515), wk = 0.0027473 k( 212) = ( 0.4117647 0.2377325 0.2794515), wk = 0.0027473 k( 213) = ( 0.4215686 0.2433928 0.2794515), wk = 0.0027473 k( 214) = ( 0.4313726 0.2490531 0.2794515), wk = 0.0027473 k( 215) = ( 0.4411765 0.2547134 0.2794515), wk = 0.0027473 k( 216) = ( 0.4509804 0.2603736 0.2794515), wk = 0.0027473 k( 217) = ( 0.4607843 0.2660339 0.2794515), wk = 0.0027473 k( 218) = ( 0.4705882 0.2716942 0.2794515), wk = 0.0027473 k( 219) = ( 0.4803922 0.2773545 0.2794515), wk = 0.0027473 k( 220) = ( 0.4901961 0.2830148 0.2794515), wk = 0.0027473 k( 221) = ( 0.5000000 0.2886751 0.2794515), wk = 0.0027473 k( 222) = ( 0.5000000 0.2886751 0.2794515), wk = 0.0027473 k( 223) = ( 0.4944444 0.2982976 0.2794515), wk = 0.0027473 k( 224) = ( 0.4888889 0.3079201 0.2794515), wk = 0.0027473 k( 225) = ( 0.4833333 0.3175426 0.2794515), wk = 0.0027473 k( 226) = ( 0.4777778 0.3271651 0.2794515), wk = 0.0027473 k( 227) = ( 0.4722222 0.3367877 0.2794515), wk = 0.0027473 k( 228) = ( 0.4666667 0.3464102 0.2794515), wk = 0.0027473 k( 229) = ( 0.4611111 0.3560327 0.2794515), wk = 0.0027473 k( 230) = ( 0.4555556 0.3656552 0.2794515), wk = 0.0027473 k( 231) = ( 0.4500000 0.3752777 0.2794515), wk = 0.0027473 k( 232) = ( 0.4444444 0.3849002 0.2794515), wk = 0.0027473 k( 233) = ( 0.4388889 0.3945227 0.2794515), wk = 0.0027473 k( 234) = ( 0.4333333 0.4041452 0.2794515), wk = 0.0027473 k( 235) = ( 0.4277778 0.4137677 0.2794515), wk = 0.0027473 k( 236) = ( 0.4222222 0.4233902 0.2794515), wk = 0.0027473 k( 237) = ( 0.4166667 0.4330127 0.2794515), wk = 0.0027473 k( 238) = ( 0.4111111 0.4426352 0.2794515), wk = 0.0027473 k( 239) = ( 0.4055556 0.4522577 0.2794515), wk = 0.0027473 k( 240) = ( 0.4000000 0.4618802 0.2794515), wk = 0.0027473 k( 241) = ( 0.3944444 0.4715027 0.2794515), wk = 0.0027473 k( 242) = ( 0.3888889 0.4811252 0.2794515), wk = 0.0027473 k( 243) = ( 0.3833333 0.4907477 0.2794515), wk = 0.0027473 k( 244) = ( 0.3777778 0.5003702 0.2794515), wk = 0.0027473 k( 245) = ( 0.3722222 0.5099927 0.2794515), wk = 0.0027473 k( 246) = ( 0.3666667 0.5196152 0.2794515), wk = 0.0027473 k( 247) = ( 0.3611111 0.5292377 0.2794515), wk = 0.0027473 k( 248) = ( 0.3555556 0.5388603 0.2794515), wk = 0.0027473 k( 249) = ( 0.3500000 0.5484828 0.2794515), wk = 0.0027473 k( 250) = ( 0.3444444 0.5581053 0.2794515), wk = 0.0027473 k( 251) = ( 0.3388889 0.5677278 0.2794515), wk = 0.0027473 k( 252) = ( 0.3333333 0.5773503 0.2794515), wk = 0.0027473 k( 253) = ( 0.3333333 0.5773503 0.2794515), wk = 0.0027473 k( 254) = ( 0.3276836 0.5675647 0.2794515), wk = 0.0027473 k( 255) = ( 0.3220339 0.5577791 0.2794515), wk = 0.0027473 k( 256) = ( 0.3163842 0.5479935 0.2794515), wk = 0.0027473 k( 257) = ( 0.3107345 0.5382079 0.2794515), wk = 0.0027473 k( 258) = ( 0.3050848 0.5284223 0.2794515), wk = 0.0027473 k( 259) = ( 0.2994350 0.5186367 0.2794515), wk = 0.0027473 k( 260) = ( 0.2937853 0.5088511 0.2794515), wk = 0.0027473 k( 261) = ( 0.2881356 0.4990655 0.2794515), wk = 0.0027473 k( 262) = ( 0.2824859 0.4892799 0.2794515), wk = 0.0027473 k( 263) = ( 0.2768362 0.4794943 0.2794515), wk = 0.0027473 k( 264) = ( 0.2711864 0.4697087 0.2794515), wk = 0.0027473 k( 265) = ( 0.2655367 0.4599231 0.2794515), wk = 0.0027473 k( 266) = ( 0.2598870 0.4501375 0.2794515), wk = 0.0027473 k( 267) = ( 0.2542373 0.4403519 0.2794515), wk = 0.0027473 k( 268) = ( 0.2485876 0.4305663 0.2794515), wk = 0.0027473 k( 269) = ( 0.2429379 0.4207807 0.2794515), wk = 0.0027473 k( 270) = ( 0.2372881 0.4109951 0.2794515), wk = 0.0027473 k( 271) = ( 0.2316384 0.4012095 0.2794515), wk = 0.0027473 k( 272) = ( 0.2259887 0.3914239 0.2794515), wk = 0.0027473 k( 273) = ( 0.2203390 0.3816383 0.2794515), wk = 0.0027473 k( 274) = ( 0.2146893 0.3718527 0.2794515), wk = 0.0027473 k( 275) = ( 0.2090395 0.3620671 0.2794515), wk = 0.0027473 k( 276) = ( 0.2033898 0.3522815 0.2794515), wk = 0.0027473 k( 277) = ( 0.1977401 0.3424959 0.2794515), wk = 0.0027473 k( 278) = ( 0.1920904 0.3327103 0.2794515), wk = 0.0027473 k( 279) = ( 0.1864407 0.3229247 0.2794515), wk = 0.0027473 k( 280) = ( 0.1807910 0.3131391 0.2794515), wk = 0.0027473 k( 281) = ( 0.1751412 0.3033535 0.2794515), wk = 0.0027473 k( 282) = ( 0.1694915 0.2935679 0.2794515), wk = 0.0027473 k( 283) = ( 0.1638418 0.2837823 0.2794515), wk = 0.0027473 k( 284) = ( 0.1581921 0.2739967 0.2794515), wk = 0.0027473 k( 285) = ( 0.1525424 0.2642111 0.2794515), wk = 0.0027473 k( 286) = ( 0.1468927 0.2544256 0.2794515), wk = 0.0027473 k( 287) = ( 0.1412429 0.2446399 0.2794515), wk = 0.0027473 k( 288) = ( 0.1355932 0.2348543 0.2794515), wk = 0.0027473 k( 289) = ( 0.1299435 0.2250687 0.2794515), wk = 0.0027473 k( 290) = ( 0.1242938 0.2152832 0.2794515), wk = 0.0027473 k( 291) = ( 0.1186441 0.2054976 0.2794515), wk = 0.0027473 k( 292) = ( 0.1129943 0.1957120 0.2794515), wk = 0.0027473 k( 293) = ( 0.1073446 0.1859264 0.2794515), wk = 0.0027473 k( 294) = ( 0.1016949 0.1761408 0.2794515), wk = 0.0027473 k( 295) = ( 0.0960452 0.1663552 0.2794515), wk = 0.0027473 k( 296) = ( 0.0903955 0.1565696 0.2794515), wk = 0.0027473 k( 297) = ( 0.0847458 0.1467840 0.2794515), wk = 0.0027473 k( 298) = ( 0.0790961 0.1369984 0.2794515), wk = 0.0027473 k( 299) = ( 0.0734463 0.1272128 0.2794515), wk = 0.0027473 k( 300) = ( 0.0677966 0.1174272 0.2794515), wk = 0.0027473 k( 301) = ( 0.0621469 0.1076416 0.2794515), wk = 0.0027473 k( 302) = ( 0.0564972 0.0978560 0.2794515), wk = 0.0027473 k( 303) = ( 0.0508475 0.0880704 0.2794515), wk = 0.0027473 k( 304) = ( 0.0451977 0.0782848 0.2794515), wk = 0.0027473 k( 305) = ( 0.0395480 0.0684992 0.2794515), wk = 0.0027473 k( 306) = ( 0.0338983 0.0587136 0.2794515), wk = 0.0027473 k( 307) = ( 0.0282486 0.0489280 0.2794515), wk = 0.0027473 k( 308) = ( 0.0225989 0.0391424 0.2794515), wk = 0.0027473 k( 309) = ( 0.0169491 0.0293568 0.2794515), wk = 0.0027473 k( 310) = ( 0.0112994 0.0195712 0.2794515), wk = 0.0027473 k( 311) = ( 0.0056497 0.0097856 0.2794515), wk = 0.0027473 k( 312) = ( 0.0000000 0.0000000 0.2794515), wk = 0.0027473 k( 313) = ( 0.5000000 0.2886751 0.2794515), wk = 0.0027473 k( 314) = ( 0.5000000 0.2886751 0.2682734), wk = 0.0027473 k( 315) = ( 0.5000000 0.2886751 0.2570954), wk = 0.0027473 k( 316) = ( 0.5000000 0.2886751 0.2459173), wk = 0.0027473 k( 317) = ( 0.5000000 0.2886751 0.2347392), wk = 0.0027473 k( 318) = ( 0.5000000 0.2886751 0.2235612), wk = 0.0027473 k( 319) = ( 0.5000000 0.2886751 0.2123831), wk = 0.0027473 k( 320) = ( 0.5000000 0.2886751 0.2012051), wk = 0.0027473 k( 321) = ( 0.5000000 0.2886751 0.1900270), wk = 0.0027473 k( 322) = ( 0.5000000 0.2886751 0.1788489), wk = 0.0027473 k( 323) = ( 0.5000000 0.2886751 0.1676709), wk = 0.0027473 k( 324) = ( 0.5000000 0.2886751 0.1564928), wk = 0.0027473 k( 325) = ( 0.5000000 0.2886751 0.1453148), wk = 0.0027473 k( 326) = ( 0.5000000 0.2886751 0.1341367), wk = 0.0027473 k( 327) = ( 0.5000000 0.2886751 0.1229587), wk = 0.0027473 k( 328) = ( 0.5000000 0.2886751 0.1117806), wk = 0.0027473 k( 329) = ( 0.5000000 0.2886751 0.1006025), wk = 0.0027473 k( 330) = ( 0.5000000 0.2886751 0.0894245), wk = 0.0027473 k( 331) = ( 0.5000000 0.2886751 0.0782464), wk = 0.0027473 k( 332) = ( 0.5000000 0.2886751 0.0670684), wk = 0.0027473 k( 333) = ( 0.5000000 0.2886751 0.0558903), wk = 0.0027473 k( 334) = ( 0.5000000 0.2886751 0.0447122), wk = 0.0027473 k( 335) = ( 0.5000000 0.2886751 0.0335342), wk = 0.0027473 k( 336) = ( 0.5000000 0.2886751 0.0223561), wk = 0.0027473 k( 337) = ( 0.5000000 0.2886751 0.0111781), wk = 0.0027473 k( 338) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027473 k( 339) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027473 k( 340) = ( 0.3333333 0.5773503 0.0111781), wk = 0.0027473 k( 341) = ( 0.3333333 0.5773503 0.0223561), wk = 0.0027473 k( 342) = ( 0.3333333 0.5773503 0.0335342), wk = 0.0027473 k( 343) = ( 0.3333333 0.5773503 0.0447122), wk = 0.0027473 k( 344) = ( 0.3333333 0.5773503 0.0558903), wk = 0.0027473 k( 345) = ( 0.3333333 0.5773503 0.0670684), wk = 0.0027473 k( 346) = ( 0.3333333 0.5773503 0.0782464), wk = 0.0027473 k( 347) = ( 0.3333333 0.5773503 0.0894245), wk = 0.0027473 k( 348) = ( 0.3333333 0.5773503 0.1006025), wk = 0.0027473 k( 349) = ( 0.3333333 0.5773503 0.1117806), wk = 0.0027473 k( 350) = ( 0.3333333 0.5773503 0.1229587), wk = 0.0027473 k( 351) = ( 0.3333333 0.5773503 0.1341367), wk = 0.0027473 k( 352) = ( 0.3333333 0.5773503 0.1453148), wk = 0.0027473 k( 353) = ( 0.3333333 0.5773503 0.1564928), wk = 0.0027473 k( 354) = ( 0.3333333 0.5773503 0.1676709), wk = 0.0027473 k( 355) = ( 0.3333333 0.5773503 0.1788489), wk = 0.0027473 k( 356) = ( 0.3333333 0.5773503 0.1900270), wk = 0.0027473 k( 357) = ( 0.3333333 0.5773503 0.2012051), wk = 0.0027473 k( 358) = ( 0.3333333 0.5773503 0.2123831), wk = 0.0027473 k( 359) = ( 0.3333333 0.5773503 0.2235612), wk = 0.0027473 k( 360) = ( 0.3333333 0.5773503 0.2347392), wk = 0.0027473 k( 361) = ( 0.3333333 0.5773503 0.2459173), wk = 0.0027473 k( 362) = ( 0.3333333 0.5773503 0.2570954), wk = 0.0027473 k( 363) = ( 0.3333333 0.5773503 0.2682734), wk = 0.0027473 k( 364) = ( 0.3333333 0.5773503 0.2794515), wk = 0.0027473 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 2) = ( 0.0098039 0.0000000 0.0000000), wk = 0.0027473 k( 3) = ( 0.0196078 0.0000000 0.0000000), wk = 0.0027473 k( 4) = ( 0.0294118 0.0000000 -0.0000000), wk = 0.0027473 k( 5) = ( 0.0392157 0.0000000 0.0000000), wk = 0.0027473 k( 6) = ( 0.0490196 0.0000000 0.0000000), wk = 0.0027473 k( 7) = ( 0.0588235 0.0000000 -0.0000000), wk = 0.0027473 k( 8) = ( 0.0686275 0.0000000 -0.0000000), wk = 0.0027473 k( 9) = ( 0.0784314 0.0000000 0.0000000), wk = 0.0027473 k( 10) = ( 0.0882353 0.0000000 0.0000000), wk = 0.0027473 k( 11) = ( 0.0980392 0.0000000 0.0000000), wk = 0.0027473 k( 12) = ( 0.1078431 0.0000000 -0.0000000), wk = 0.0027473 k( 13) = ( 0.1176471 0.0000000 -0.0000000), wk = 0.0027473 k( 14) = ( 0.1274510 0.0000000 -0.0000000), wk = 0.0027473 k( 15) = ( 0.1372549 0.0000000 -0.0000000), wk = 0.0027473 k( 16) = ( 0.1470588 0.0000000 -0.0000000), wk = 0.0027473 k( 17) = ( 0.1568627 0.0000000 -0.0000000), wk = 0.0027473 k( 18) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0027473 k( 19) = ( 0.1764706 0.0000000 -0.0000000), wk = 0.0027473 k( 20) = ( 0.1862745 0.0000000 -0.0000000), wk = 0.0027473 k( 21) = ( 0.1960784 0.0000000 0.0000000), wk = 0.0027473 k( 22) = ( 0.2058823 0.0000000 0.0000000), wk = 0.0027473 k( 23) = ( 0.2156863 0.0000000 0.0000000), wk = 0.0027473 k( 24) = ( 0.2254902 0.0000000 -0.0000000), wk = 0.0027473 k( 25) = ( 0.2352941 0.0000000 -0.0000000), wk = 0.0027473 k( 26) = ( 0.2450980 0.0000000 -0.0000000), wk = 0.0027473 k( 27) = ( 0.2549020 0.0000000 -0.0000000), wk = 0.0027473 k( 28) = ( 0.2647059 0.0000000 -0.0000000), wk = 0.0027473 k( 29) = ( 0.2745098 0.0000000 -0.0000000), wk = 0.0027473 k( 30) = ( 0.2843137 0.0000000 0.0000000), wk = 0.0027473 k( 31) = ( 0.2941177 0.0000000 0.0000000), wk = 0.0027473 k( 32) = ( 0.3039216 0.0000000 -0.0000000), wk = 0.0027473 k( 33) = ( 0.3137255 0.0000000 -0.0000000), wk = 0.0027473 k( 34) = ( 0.3235294 0.0000000 -0.0000000), wk = 0.0027473 k( 35) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0027473 k( 36) = ( 0.3431373 0.0000000 -0.0000000), wk = 0.0027473 k( 37) = ( 0.3529412 0.0000000 -0.0000000), wk = 0.0027473 k( 38) = ( 0.3627451 0.0000000 0.0000000), wk = 0.0027473 k( 39) = ( 0.3725490 0.0000000 -0.0000000), wk = 0.0027473 k( 40) = ( 0.3823529 0.0000000 0.0000000), wk = 0.0027473 k( 41) = ( 0.3921569 0.0000000 0.0000000), wk = 0.0027473 k( 42) = ( 0.4019608 0.0000000 -0.0000000), wk = 0.0027473 k( 43) = ( 0.4117647 0.0000000 0.0000000), wk = 0.0027473 k( 44) = ( 0.4215686 0.0000000 -0.0000000), wk = 0.0027473 k( 45) = ( 0.4313726 0.0000000 0.0000000), wk = 0.0027473 k( 46) = ( 0.4411765 0.0000000 -0.0000000), wk = 0.0027473 k( 47) = ( 0.4509804 0.0000000 0.0000000), wk = 0.0027473 k( 48) = ( 0.4607843 0.0000000 -0.0000000), wk = 0.0027473 k( 49) = ( 0.4705882 0.0000000 -0.0000000), wk = 0.0027473 k( 50) = ( 0.4803922 0.0000000 0.0000000), wk = 0.0027473 k( 51) = ( 0.4901961 0.0000000 -0.0000000), wk = 0.0027473 k( 52) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027473 k( 53) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027473 k( 54) = ( 0.4944444 0.0111111 0.0000000), wk = 0.0027473 k( 55) = ( 0.4888889 0.0222222 -0.0000000), wk = 0.0027473 k( 56) = ( 0.4833333 0.0333333 0.0000000), wk = 0.0027473 k( 57) = ( 0.4777778 0.0444444 -0.0000000), wk = 0.0027473 k( 58) = ( 0.4722222 0.0555556 -0.0000000), wk = 0.0027473 k( 59) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0027473 k( 60) = ( 0.4611111 0.0777778 0.0000000), wk = 0.0027473 k( 61) = ( 0.4555556 0.0888889 0.0000000), wk = 0.0027473 k( 62) = ( 0.4500000 0.1000000 0.0000000), wk = 0.0027473 k( 63) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0027473 k( 64) = ( 0.4388889 0.1222222 -0.0000000), wk = 0.0027473 k( 65) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0027473 k( 66) = ( 0.4277778 0.1444444 -0.0000000), wk = 0.0027473 k( 67) = ( 0.4222222 0.1555556 0.0000000), wk = 0.0027473 k( 68) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0027473 k( 69) = ( 0.4111111 0.1777778 0.0000000), wk = 0.0027473 k( 70) = ( 0.4055556 0.1888889 0.0000000), wk = 0.0027473 k( 71) = ( 0.4000000 0.2000000 -0.0000000), wk = 0.0027473 k( 72) = ( 0.3944444 0.2111111 -0.0000000), wk = 0.0027473 k( 73) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0027473 k( 74) = ( 0.3833333 0.2333333 0.0000000), wk = 0.0027473 k( 75) = ( 0.3777778 0.2444444 -0.0000000), wk = 0.0027473 k( 76) = ( 0.3722222 0.2555556 -0.0000000), wk = 0.0027473 k( 77) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0027473 k( 78) = ( 0.3611111 0.2777778 -0.0000000), wk = 0.0027473 k( 79) = ( 0.3555556 0.2888889 -0.0000000), wk = 0.0027473 k( 80) = ( 0.3500000 0.3000000 -0.0000000), wk = 0.0027473 k( 81) = ( 0.3444444 0.3111111 -0.0000000), wk = 0.0027473 k( 82) = ( 0.3388889 0.3222222 0.0000000), wk = 0.0027473 k( 83) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027473 k( 84) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027473 k( 85) = ( 0.3276836 0.3276836 -0.0000000), wk = 0.0027473 k( 86) = ( 0.3220339 0.3220339 0.0000000), wk = 0.0027473 k( 87) = ( 0.3163842 0.3163842 -0.0000000), wk = 0.0027473 k( 88) = ( 0.3107345 0.3107345 0.0000000), wk = 0.0027473 k( 89) = ( 0.3050848 0.3050848 -0.0000000), wk = 0.0027473 k( 90) = ( 0.2994350 0.2994350 -0.0000000), wk = 0.0027473 k( 91) = ( 0.2937853 0.2937853 0.0000000), wk = 0.0027473 k( 92) = ( 0.2881356 0.2881356 -0.0000000), wk = 0.0027473 k( 93) = ( 0.2824859 0.2824859 -0.0000000), wk = 0.0027473 k( 94) = ( 0.2768362 0.2768362 -0.0000000), wk = 0.0027473 k( 95) = ( 0.2711864 0.2711864 -0.0000000), wk = 0.0027473 k( 96) = ( 0.2655367 0.2655367 -0.0000000), wk = 0.0027473 k( 97) = ( 0.2598870 0.2598870 -0.0000000), wk = 0.0027473 k( 98) = ( 0.2542373 0.2542373 -0.0000000), wk = 0.0027473 k( 99) = ( 0.2485876 0.2485876 0.0000000), wk = 0.0027473 k( 100) = ( 0.2429379 0.2429378 -0.0000000), wk = 0.0027473 k( 101) = ( 0.2372881 0.2372881 -0.0000000), wk = 0.0027473 k( 102) = ( 0.2316384 0.2316384 -0.0000000), wk = 0.0027473 k( 103) = ( 0.2259887 0.2259887 -0.0000000), wk = 0.0027473 k( 104) = ( 0.2203390 0.2203390 0.0000000), wk = 0.0027473 k( 105) = ( 0.2146893 0.2146893 0.0000000), wk = 0.0027473 k( 106) = ( 0.2090395 0.2090396 -0.0000000), wk = 0.0027473 k( 107) = ( 0.2033898 0.2033898 -0.0000000), wk = 0.0027473 k( 108) = ( 0.1977401 0.1977401 -0.0000000), wk = 0.0027473 k( 109) = ( 0.1920904 0.1920904 -0.0000000), wk = 0.0027473 k( 110) = ( 0.1864407 0.1864407 -0.0000000), wk = 0.0027473 k( 111) = ( 0.1807910 0.1807910 -0.0000000), wk = 0.0027473 k( 112) = ( 0.1751412 0.1751412 -0.0000000), wk = 0.0027473 k( 113) = ( 0.1694915 0.1694915 -0.0000000), wk = 0.0027473 k( 114) = ( 0.1638418 0.1638418 -0.0000000), wk = 0.0027473 k( 115) = ( 0.1581921 0.1581921 -0.0000000), wk = 0.0027473 k( 116) = ( 0.1525424 0.1525424 0.0000000), wk = 0.0027473 k( 117) = ( 0.1468927 0.1468927 0.0000000), wk = 0.0027473 k( 118) = ( 0.1412429 0.1412429 -0.0000000), wk = 0.0027473 k( 119) = ( 0.1355932 0.1355932 -0.0000000), wk = 0.0027473 k( 120) = ( 0.1299435 0.1299435 -0.0000000), wk = 0.0027473 k( 121) = ( 0.1242938 0.1242938 -0.0000000), wk = 0.0027473 k( 122) = ( 0.1186441 0.1186441 -0.0000000), wk = 0.0027473 k( 123) = ( 0.1129943 0.1129944 -0.0000000), wk = 0.0027473 k( 124) = ( 0.1073446 0.1073446 -0.0000000), wk = 0.0027473 k( 125) = ( 0.1016949 0.1016949 -0.0000000), wk = 0.0027473 k( 126) = ( 0.0960452 0.0960452 -0.0000000), wk = 0.0027473 k( 127) = ( 0.0903955 0.0903955 -0.0000000), wk = 0.0027473 k( 128) = ( 0.0847458 0.0847458 0.0000000), wk = 0.0027473 k( 129) = ( 0.0790961 0.0790961 0.0000000), wk = 0.0027473 k( 130) = ( 0.0734463 0.0734463 0.0000000), wk = 0.0027473 k( 131) = ( 0.0677966 0.0677966 -0.0000000), wk = 0.0027473 k( 132) = ( 0.0621469 0.0621469 -0.0000000), wk = 0.0027473 k( 133) = ( 0.0564972 0.0564972 -0.0000000), wk = 0.0027473 k( 134) = ( 0.0508475 0.0508475 -0.0000000), wk = 0.0027473 k( 135) = ( 0.0451977 0.0451977 -0.0000000), wk = 0.0027473 k( 136) = ( 0.0395480 0.0395480 -0.0000000), wk = 0.0027473 k( 137) = ( 0.0338983 0.0338983 0.0000000), wk = 0.0027473 k( 138) = ( 0.0282486 0.0282486 -0.0000000), wk = 0.0027473 k( 139) = ( 0.0225989 0.0225989 -0.0000000), wk = 0.0027473 k( 140) = ( 0.0169491 0.0169491 -0.0000000), wk = 0.0027473 k( 141) = ( 0.0112994 0.0112994 0.0000000), wk = 0.0027473 k( 142) = ( 0.0056497 0.0056497 0.0000000), wk = 0.0027473 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027473 k( 145) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0027473 k( 146) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0027473 k( 147) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0027473 k( 148) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0027473 k( 149) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0027473 k( 150) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0027473 k( 151) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0027473 k( 152) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0027473 k( 153) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0027473 k( 154) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0027473 k( 155) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0027473 k( 156) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0027473 k( 157) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0027473 k( 158) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0027473 k( 159) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0027473 k( 160) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0027473 k( 161) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0027473 k( 162) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0027473 k( 163) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0027473 k( 164) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0027473 k( 165) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0027473 k( 166) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0027473 k( 167) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0027473 k( 168) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0027473 k( 169) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027473 k( 170) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027473 k( 171) = ( 0.0098039 0.0000000 0.5000000), wk = 0.0027473 k( 172) = ( 0.0196078 0.0000000 0.5000000), wk = 0.0027473 k( 173) = ( 0.0294118 0.0000000 0.5000000), wk = 0.0027473 k( 174) = ( 0.0392157 0.0000000 0.5000000), wk = 0.0027473 k( 175) = ( 0.0490196 0.0000000 0.5000000), wk = 0.0027473 k( 176) = ( 0.0588235 0.0000000 0.5000000), wk = 0.0027473 k( 177) = ( 0.0686275 0.0000000 0.5000000), wk = 0.0027473 k( 178) = ( 0.0784314 0.0000000 0.5000000), wk = 0.0027473 k( 179) = ( 0.0882353 0.0000000 0.5000000), wk = 0.0027473 k( 180) = ( 0.0980392 0.0000000 0.5000000), wk = 0.0027473 k( 181) = ( 0.1078431 0.0000000 0.5000000), wk = 0.0027473 k( 182) = ( 0.1176471 0.0000000 0.5000000), wk = 0.0027473 k( 183) = ( 0.1274510 0.0000000 0.5000000), wk = 0.0027473 k( 184) = ( 0.1372549 0.0000000 0.5000000), wk = 0.0027473 k( 185) = ( 0.1470588 0.0000000 0.5000000), wk = 0.0027473 k( 186) = ( 0.1568627 0.0000000 0.5000000), wk = 0.0027473 k( 187) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0027473 k( 188) = ( 0.1764706 0.0000000 0.5000000), wk = 0.0027473 k( 189) = ( 0.1862745 0.0000000 0.5000000), wk = 0.0027473 k( 190) = ( 0.1960784 0.0000000 0.5000000), wk = 0.0027473 k( 191) = ( 0.2058823 0.0000000 0.5000000), wk = 0.0027473 k( 192) = ( 0.2156863 0.0000000 0.5000000), wk = 0.0027473 k( 193) = ( 0.2254902 0.0000000 0.5000000), wk = 0.0027473 k( 194) = ( 0.2352941 0.0000000 0.5000000), wk = 0.0027473 k( 195) = ( 0.2450980 0.0000000 0.5000000), wk = 0.0027473 k( 196) = ( 0.2549020 0.0000000 0.5000000), wk = 0.0027473 k( 197) = ( 0.2647059 0.0000000 0.5000000), wk = 0.0027473 k( 198) = ( 0.2745098 0.0000000 0.5000000), wk = 0.0027473 k( 199) = ( 0.2843137 0.0000000 0.5000000), wk = 0.0027473 k( 200) = ( 0.2941177 0.0000000 0.5000000), wk = 0.0027473 k( 201) = ( 0.3039216 0.0000000 0.5000000), wk = 0.0027473 k( 202) = ( 0.3137255 0.0000000 0.5000000), wk = 0.0027473 k( 203) = ( 0.3235294 0.0000000 0.5000000), wk = 0.0027473 k( 204) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0027473 k( 205) = ( 0.3431373 0.0000000 0.5000000), wk = 0.0027473 k( 206) = ( 0.3529412 0.0000000 0.5000000), wk = 0.0027473 k( 207) = ( 0.3627451 0.0000000 0.5000000), wk = 0.0027473 k( 208) = ( 0.3725490 0.0000000 0.5000000), wk = 0.0027473 k( 209) = ( 0.3823529 0.0000000 0.5000000), wk = 0.0027473 k( 210) = ( 0.3921569 0.0000000 0.5000000), wk = 0.0027473 k( 211) = ( 0.4019608 0.0000000 0.5000000), wk = 0.0027473 k( 212) = ( 0.4117647 0.0000000 0.5000000), wk = 0.0027473 k( 213) = ( 0.4215686 0.0000000 0.5000000), wk = 0.0027473 k( 214) = ( 0.4313726 0.0000000 0.5000000), wk = 0.0027473 k( 215) = ( 0.4411765 0.0000000 0.5000000), wk = 0.0027473 k( 216) = ( 0.4509804 0.0000000 0.5000000), wk = 0.0027473 k( 217) = ( 0.4607843 0.0000000 0.5000000), wk = 0.0027473 k( 218) = ( 0.4705882 0.0000000 0.5000000), wk = 0.0027473 k( 219) = ( 0.4803922 0.0000000 0.5000000), wk = 0.0027473 k( 220) = ( 0.4901961 0.0000000 0.5000000), wk = 0.0027473 k( 221) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027473 k( 222) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027473 k( 223) = ( 0.4944444 0.0111111 0.5000000), wk = 0.0027473 k( 224) = ( 0.4888889 0.0222222 0.5000000), wk = 0.0027473 k( 225) = ( 0.4833333 0.0333333 0.5000000), wk = 0.0027473 k( 226) = ( 0.4777778 0.0444444 0.5000000), wk = 0.0027473 k( 227) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0027473 k( 228) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0027473 k( 229) = ( 0.4611111 0.0777778 0.5000000), wk = 0.0027473 k( 230) = ( 0.4555556 0.0888889 0.5000000), wk = 0.0027473 k( 231) = ( 0.4500000 0.1000000 0.5000000), wk = 0.0027473 k( 232) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0027473 k( 233) = ( 0.4388889 0.1222222 0.5000000), wk = 0.0027473 k( 234) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0027473 k( 235) = ( 0.4277778 0.1444444 0.5000000), wk = 0.0027473 k( 236) = ( 0.4222222 0.1555556 0.5000000), wk = 0.0027473 k( 237) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0027473 k( 238) = ( 0.4111111 0.1777778 0.5000000), wk = 0.0027473 k( 239) = ( 0.4055556 0.1888889 0.5000000), wk = 0.0027473 k( 240) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0027473 k( 241) = ( 0.3944444 0.2111111 0.5000000), wk = 0.0027473 k( 242) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0027473 k( 243) = ( 0.3833333 0.2333333 0.5000000), wk = 0.0027473 k( 244) = ( 0.3777778 0.2444444 0.5000000), wk = 0.0027473 k( 245) = ( 0.3722222 0.2555556 0.5000000), wk = 0.0027473 k( 246) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0027473 k( 247) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0027473 k( 248) = ( 0.3555556 0.2888889 0.5000000), wk = 0.0027473 k( 249) = ( 0.3500000 0.3000000 0.5000000), wk = 0.0027473 k( 250) = ( 0.3444444 0.3111111 0.5000000), wk = 0.0027473 k( 251) = ( 0.3388889 0.3222222 0.5000000), wk = 0.0027473 k( 252) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027473 k( 253) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027473 k( 254) = ( 0.3276836 0.3276836 0.5000000), wk = 0.0027473 k( 255) = ( 0.3220339 0.3220339 0.5000000), wk = 0.0027473 k( 256) = ( 0.3163842 0.3163842 0.5000000), wk = 0.0027473 k( 257) = ( 0.3107345 0.3107345 0.5000000), wk = 0.0027473 k( 258) = ( 0.3050848 0.3050848 0.5000000), wk = 0.0027473 k( 259) = ( 0.2994350 0.2994350 0.5000000), wk = 0.0027473 k( 260) = ( 0.2937853 0.2937853 0.5000000), wk = 0.0027473 k( 261) = ( 0.2881356 0.2881356 0.5000000), wk = 0.0027473 k( 262) = ( 0.2824859 0.2824859 0.5000000), wk = 0.0027473 k( 263) = ( 0.2768362 0.2768362 0.5000000), wk = 0.0027473 k( 264) = ( 0.2711864 0.2711864 0.5000000), wk = 0.0027473 k( 265) = ( 0.2655367 0.2655367 0.5000000), wk = 0.0027473 k( 266) = ( 0.2598870 0.2598870 0.5000000), wk = 0.0027473 k( 267) = ( 0.2542373 0.2542373 0.5000000), wk = 0.0027473 k( 268) = ( 0.2485876 0.2485876 0.5000000), wk = 0.0027473 k( 269) = ( 0.2429379 0.2429378 0.5000000), wk = 0.0027473 k( 270) = ( 0.2372881 0.2372881 0.5000000), wk = 0.0027473 k( 271) = ( 0.2316384 0.2316384 0.5000000), wk = 0.0027473 k( 272) = ( 0.2259887 0.2259887 0.5000000), wk = 0.0027473 k( 273) = ( 0.2203390 0.2203390 0.5000000), wk = 0.0027473 k( 274) = ( 0.2146893 0.2146893 0.5000000), wk = 0.0027473 k( 275) = ( 0.2090395 0.2090396 0.5000000), wk = 0.0027473 k( 276) = ( 0.2033898 0.2033898 0.5000000), wk = 0.0027473 k( 277) = ( 0.1977401 0.1977401 0.5000000), wk = 0.0027473 k( 278) = ( 0.1920904 0.1920904 0.5000000), wk = 0.0027473 k( 279) = ( 0.1864407 0.1864407 0.5000000), wk = 0.0027473 k( 280) = ( 0.1807910 0.1807910 0.5000000), wk = 0.0027473 k( 281) = ( 0.1751412 0.1751412 0.5000000), wk = 0.0027473 k( 282) = ( 0.1694915 0.1694915 0.5000000), wk = 0.0027473 k( 283) = ( 0.1638418 0.1638418 0.5000000), wk = 0.0027473 k( 284) = ( 0.1581921 0.1581921 0.5000000), wk = 0.0027473 k( 285) = ( 0.1525424 0.1525424 0.5000000), wk = 0.0027473 k( 286) = ( 0.1468927 0.1468927 0.5000000), wk = 0.0027473 k( 287) = ( 0.1412429 0.1412429 0.5000000), wk = 0.0027473 k( 288) = ( 0.1355932 0.1355932 0.5000000), wk = 0.0027473 k( 289) = ( 0.1299435 0.1299435 0.5000000), wk = 0.0027473 k( 290) = ( 0.1242938 0.1242938 0.5000000), wk = 0.0027473 k( 291) = ( 0.1186441 0.1186441 0.5000000), wk = 0.0027473 k( 292) = ( 0.1129943 0.1129944 0.5000000), wk = 0.0027473 k( 293) = ( 0.1073446 0.1073446 0.5000000), wk = 0.0027473 k( 294) = ( 0.1016949 0.1016949 0.5000000), wk = 0.0027473 k( 295) = ( 0.0960452 0.0960452 0.5000000), wk = 0.0027473 k( 296) = ( 0.0903955 0.0903955 0.5000000), wk = 0.0027473 k( 297) = ( 0.0847458 0.0847458 0.5000000), wk = 0.0027473 k( 298) = ( 0.0790961 0.0790961 0.5000000), wk = 0.0027473 k( 299) = ( 0.0734463 0.0734463 0.5000000), wk = 0.0027473 k( 300) = ( 0.0677966 0.0677966 0.5000000), wk = 0.0027473 k( 301) = ( 0.0621469 0.0621469 0.5000000), wk = 0.0027473 k( 302) = ( 0.0564972 0.0564972 0.5000000), wk = 0.0027473 k( 303) = ( 0.0508475 0.0508475 0.5000000), wk = 0.0027473 k( 304) = ( 0.0451977 0.0451977 0.5000000), wk = 0.0027473 k( 305) = ( 0.0395480 0.0395480 0.5000000), wk = 0.0027473 k( 306) = ( 0.0338983 0.0338983 0.5000000), wk = 0.0027473 k( 307) = ( 0.0282486 0.0282486 0.5000000), wk = 0.0027473 k( 308) = ( 0.0225989 0.0225989 0.5000000), wk = 0.0027473 k( 309) = ( 0.0169491 0.0169491 0.5000000), wk = 0.0027473 k( 310) = ( 0.0112994 0.0112994 0.5000000), wk = 0.0027473 k( 311) = ( 0.0056497 0.0056497 0.5000000), wk = 0.0027473 k( 312) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027473 k( 313) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027473 k( 314) = ( 0.5000000 0.0000000 0.4800000), wk = 0.0027473 k( 315) = ( 0.5000000 0.0000000 0.4600000), wk = 0.0027473 k( 316) = ( 0.5000000 0.0000000 0.4400000), wk = 0.0027473 k( 317) = ( 0.5000000 0.0000000 0.4200000), wk = 0.0027473 k( 318) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0027473 k( 319) = ( 0.5000000 0.0000000 0.3800000), wk = 0.0027473 k( 320) = ( 0.5000000 0.0000000 0.3600000), wk = 0.0027473 k( 321) = ( 0.5000000 0.0000000 0.3400000), wk = 0.0027473 k( 322) = ( 0.5000000 0.0000000 0.3200000), wk = 0.0027473 k( 323) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0027473 k( 324) = ( 0.5000000 0.0000000 0.2800000), wk = 0.0027473 k( 325) = ( 0.5000000 0.0000000 0.2600000), wk = 0.0027473 k( 326) = ( 0.5000000 0.0000000 0.2400000), wk = 0.0027473 k( 327) = ( 0.5000000 0.0000000 0.2200000), wk = 0.0027473 k( 328) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0027473 k( 329) = ( 0.5000000 0.0000000 0.1800000), wk = 0.0027473 k( 330) = ( 0.5000000 0.0000000 0.1600000), wk = 0.0027473 k( 331) = ( 0.5000000 0.0000000 0.1400000), wk = 0.0027473 k( 332) = ( 0.5000000 0.0000000 0.1200000), wk = 0.0027473 k( 333) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0027473 k( 334) = ( 0.5000000 0.0000000 0.0800000), wk = 0.0027473 k( 335) = ( 0.5000000 0.0000000 0.0600000), wk = 0.0027473 k( 336) = ( 0.5000000 0.0000000 0.0400000), wk = 0.0027473 k( 337) = ( 0.5000000 0.0000000 0.0200000), wk = 0.0027473 k( 338) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027473 k( 339) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027473 k( 340) = ( 0.3333333 0.3333333 0.0200000), wk = 0.0027473 k( 341) = ( 0.3333333 0.3333333 0.0400000), wk = 0.0027473 k( 342) = ( 0.3333333 0.3333333 0.0600000), wk = 0.0027473 k( 343) = ( 0.3333333 0.3333333 0.0800000), wk = 0.0027473 k( 344) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0027473 k( 345) = ( 0.3333333 0.3333333 0.1200000), wk = 0.0027473 k( 346) = ( 0.3333333 0.3333333 0.1400000), wk = 0.0027473 k( 347) = ( 0.3333333 0.3333333 0.1600000), wk = 0.0027473 k( 348) = ( 0.3333333 0.3333333 0.1800000), wk = 0.0027473 k( 349) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0027473 k( 350) = ( 0.3333333 0.3333333 0.2200000), wk = 0.0027473 k( 351) = ( 0.3333333 0.3333333 0.2400000), wk = 0.0027473 k( 352) = ( 0.3333333 0.3333333 0.2600000), wk = 0.0027473 k( 353) = ( 0.3333333 0.3333333 0.2800000), wk = 0.0027473 k( 354) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0027473 k( 355) = ( 0.3333333 0.3333333 0.3200000), wk = 0.0027473 k( 356) = ( 0.3333333 0.3333333 0.3400000), wk = 0.0027473 k( 357) = ( 0.3333333 0.3333333 0.3600000), wk = 0.0027473 k( 358) = ( 0.3333333 0.3333333 0.3800000), wk = 0.0027473 k( 359) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0027473 k( 360) = ( 0.3333333 0.3333333 0.4200000), wk = 0.0027473 k( 361) = ( 0.3333333 0.3333333 0.4400000), wk = 0.0027473 k( 362) = ( 0.3333333 0.3333333 0.4600000), wk = 0.0027473 k( 363) = ( 0.3333333 0.3333333 0.4800000), wk = 0.0027473 k( 364) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027473 Dense grid: 46659 G-vectors FFT dimensions: ( 40, 40, 72) Smooth grid: 21611 G-vectors FFT dimensions: ( 30, 30, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 162, 48) NL pseudopotentials 0.16 Mb ( 81, 130) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 1294) G-vector shells 0.00 Mb ( 589) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.47 Mb ( 162, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.19 Mb ( 130, 2, 48) The potential is recalculated from file : ./Hf2SN2.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.6 secs Computing kpt #: 2 total cpu time spent up to now is 3.0 secs Computing kpt #: 3 total cpu time spent up to now is 3.4 secs Computing kpt #: 4 total cpu time spent up to now is 3.8 secs Computing kpt #: 5 total cpu time spent up to now is 4.2 secs Computing kpt #: 6 total cpu time spent up to now is 4.5 secs Computing kpt #: 7 total cpu time spent up to now is 4.9 secs Computing kpt #: 8 total cpu time spent up to now is 5.3 secs Computing kpt #: 9 total cpu time spent up to now is 5.7 secs Computing kpt #: 10 total cpu time spent up to now is 6.1 secs Computing kpt #: 11 total cpu time spent up to now is 6.5 secs Computing kpt #: 12 total cpu time spent up to now is 6.8 secs Computing kpt #: 13 total cpu time spent up to now is 7.2 secs Computing kpt #: 14 total cpu time spent up to 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time spent up to now is 115.6 secs Computing kpt #: 323 total cpu time spent up to now is 116.0 secs Computing kpt #: 324 total cpu time spent up to now is 116.3 secs Computing kpt #: 325 total cpu time spent up to now is 116.6 secs Computing kpt #: 326 total cpu time spent up to now is 117.0 secs Computing kpt #: 327 total cpu time spent up to now is 117.4 secs Computing kpt #: 328 total cpu time spent up to now is 117.7 secs Computing kpt #: 329 total cpu time spent up to now is 118.1 secs Computing kpt #: 330 total cpu time spent up to now is 118.5 secs Computing kpt #: 331 total cpu time spent up to now is 118.9 secs Computing kpt #: 332 total cpu time spent up to now is 119.3 secs Computing kpt #: 333 total cpu time spent up to now is 119.6 secs Computing kpt #: 334 total cpu time spent up to now is 119.9 secs Computing kpt #: 335 total cpu time spent up to now is 120.3 secs Computing kpt #: 336 total cpu time spent up to now is 120.6 secs Computing kpt #: 337 total cpu time spent up to now is 121.0 secs Computing kpt #: 338 total cpu time spent up to now is 121.3 secs Computing kpt #: 339 total cpu time spent up to now is 121.7 secs Computing kpt #: 340 total cpu time spent up to now is 122.1 secs Computing kpt #: 341 total cpu time spent up to now is 122.6 secs Computing kpt #: 342 total cpu time spent up to now is 123.0 secs Computing kpt #: 343 total cpu time spent up to now is 123.4 secs Computing kpt #: 344 total cpu time spent up to now is 123.9 secs Computing kpt #: 345 total cpu time spent up to now is 124.2 secs Computing kpt #: 346 total cpu time spent up to now is 124.6 secs Computing kpt #: 347 total cpu time spent up to now is 125.0 secs Computing kpt #: 348 total cpu time spent up to now is 125.4 secs Computing kpt #: 349 total cpu time spent up to now is 125.8 secs Computing kpt #: 350 total cpu time spent up to now is 126.2 secs Computing kpt #: 351 total cpu time spent up to now is 126.5 secs Computing kpt #: 352 total cpu time spent up to now is 126.9 secs Computing kpt #: 353 total cpu time spent up to now is 127.3 secs Computing kpt #: 354 total cpu time spent up to now is 127.6 secs Computing kpt #: 355 total cpu time spent up to now is 128.0 secs Computing kpt #: 356 total cpu time spent up to now is 128.4 secs Computing kpt #: 357 total cpu time spent up to now is 128.7 secs Computing kpt #: 358 total cpu time spent up to now is 129.1 secs Computing kpt #: 359 total cpu time spent up to now is 129.5 secs Computing kpt #: 360 total cpu time spent up to now is 129.8 secs Computing kpt #: 361 total cpu time spent up to now is 130.1 secs Computing kpt #: 362 total cpu time spent up to now is 130.4 secs Computing kpt #: 363 total cpu time spent up to now is 130.8 secs Computing kpt #: 364 total cpu time spent up to now is 131.1 secs ethr = 2.50E-08, avg # of iterations = 20.6 total cpu time spent up to now is 131.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2697 PWs) bands (ev): -48.9696 -48.9696 -48.9517 -48.9517 -23.3152 -23.3152 -23.2408 -23.2408 -15.7538 -15.7538 -15.5511 -15.5511 -15.4856 -15.4856 -15.4823 -15.4823 -2.4740 -2.4740 -1.5409 -1.5409 0.7170 0.7170 8.0458 8.0458 8.1157 8.1157 8.1602 8.1602 8.1827 8.1827 8.6036 8.6036 9.0486 9.0486 12.0591 12.0591 12.1782 12.1782 12.7209 12.7209 14.4959 14.4959 14.8742 14.8742 14.9666 14.9666 16.3843 16.3843 k = 0.0098 0.0057-0.0000 ( 2699 PWs) bands (ev): -48.9696 -48.9696 -48.9517 -48.9517 -23.3152 -23.3152 -23.2409 -23.2409 -15.7538 -15.7538 -15.5514 -15.5514 -15.4857 -15.4857 -15.4826 -15.4826 -2.4726 -2.4726 -1.5399 -1.5399 0.7170 0.7170 8.0451 8.0451 8.1156 8.1156 8.1541 8.1541 8.1791 8.1791 8.6156 8.6156 9.0493 9.0493 12.0548 12.0548 12.1736 12.1736 12.7189 12.7189 14.5000 14.5000 14.8780 14.8780 14.9702 14.9702 16.3874 16.3874 k = 0.0196 0.0113-0.0000 ( 2703 PWs) bands (ev): -48.9696 -48.9696 -48.9517 -48.9517 -23.3153 -23.3153 -23.2412 -23.2412 -15.7539 -15.7539 -15.5523 -15.5523 -15.4859 -15.4859 -15.4833 -15.4833 -2.4683 -2.4683 -1.5368 -1.5368 0.7169 0.7169 8.0423 8.0423 8.1157 8.1157 8.1279 8.1279 8.1800 8.1800 8.6481 8.6481 9.0516 9.0516 12.0415 12.0415 12.1605 12.1605 12.7129 12.7129 14.5123 14.5123 14.8890 14.8890 14.9809 14.9809 16.3968 16.3968 k = 0.0294 0.0170-0.0000 ( 2707 PWs) bands (ev): -48.9695 -48.9695 -48.9517 -48.9517 -23.3156 -23.3156 -23.2416 -23.2416 -15.7540 -15.7540 -15.5539 -15.5539 -15.4866 -15.4866 -15.4842 -15.4842 -2.4613 -2.4613 -1.5318 -1.5318 0.7169 0.7169 8.0342 8.0342 8.0872 8.0872 8.1182 8.1182 8.1874 8.1874 8.6942 8.6942 9.0555 9.0555 12.0181 12.0181 12.1402 12.1402 12.7035 12.7035 14.5324 14.5324 14.9066 14.9066 14.9990 14.9990 16.4123 16.4123 k = 0.0392 0.0226-0.0000 ( 2707 PWs) bands (ev): -48.9694 -48.9694 -48.9516 -48.9516 -23.3158 -23.3158 -23.2421 -23.2421 -15.7542 -15.7542 -15.5561 -15.5561 -15.4882 -15.4882 -15.4847 -15.4847 -2.4516 -2.4516 -1.5246 -1.5246 0.7168 0.7168 8.0083 8.0083 8.0537 8.0537 8.1225 8.1225 8.1987 8.1987 8.7481 8.7481 9.0609 9.0609 11.9831 11.9831 12.1149 12.1149 12.6913 12.6913 14.5596 14.5596 14.9295 14.9295 15.0250 15.0250 16.4337 16.4337 k = 0.0490 0.0283-0.0000 ( 2707 PWs) bands (ev): -48.9693 -48.9693 -48.9516 -48.9516 -23.3162 -23.3162 -23.2427 -23.2427 -15.7544 -15.7544 -15.5588 -15.5588 -15.4907 -15.4907 -15.4849 -15.4849 -2.4390 -2.4390 -1.5156 -1.5156 0.7167 0.7167 7.9584 7.9584 8.0364 8.0364 8.1303 8.1303 8.2132 8.2132 8.8060 8.8060 9.0680 9.0680 11.9355 11.9355 12.0868 12.0868 12.6771 12.6771 14.5932 14.5932 14.9565 14.9565 15.0592 15.0592 16.4608 16.4608 k = 0.0588 0.0340-0.0000 ( 2699 PWs) bands (ev): -48.9692 -48.9692 -48.9515 -48.9515 -23.3165 -23.3165 -23.2434 -23.2434 -15.7546 -15.7546 -15.5620 -15.5620 -15.4937 -15.4937 -15.4851 -15.4851 -2.4238 -2.4238 -1.5046 -1.5046 0.7166 0.7166 7.9002 7.9002 8.0221 8.0221 8.1415 8.1415 8.2308 8.2308 8.8652 8.8652 9.0770 9.0770 11.8756 11.8756 12.0567 12.0567 12.6612 12.6612 14.6325 14.6325 14.9867 14.9867 15.1013 15.1013 16.4930 16.4930 k = 0.0686 0.0396-0.0000 ( 2703 PWs) bands (ev): -48.9690 -48.9690 -48.9514 -48.9514 -23.3171 -23.3171 -23.2444 -23.2444 -15.7550 -15.7550 -15.5658 -15.5658 -15.4974 -15.4974 -15.4853 -15.4853 -2.4059 -2.4059 -1.4917 -1.4917 0.7164 0.7164 7.8397 7.8397 8.0067 8.0067 8.1560 8.1560 8.2514 8.2514 8.9235 8.9235 9.0886 9.0886 11.8046 11.8046 12.0249 12.0249 12.6442 12.6442 14.6766 14.6766 15.0195 15.0195 15.1509 15.1509 16.5300 16.5300 k = 0.0784 0.0453-0.0000 ( 2699 PWs) bands (ev): -48.9688 -48.9688 -48.9514 -48.9514 -23.3176 -23.3176 -23.2454 -23.2454 -15.7554 -15.7554 -15.5700 -15.5700 -15.5017 -15.5017 -15.4855 -15.4855 -2.3854 -2.3854 -1.4769 -1.4769 0.7162 0.7162 7.7788 7.7788 7.9896 7.9896 8.1734 8.1734 8.2750 8.2750 8.9783 8.9783 9.1044 9.1044 11.7243 11.7243 11.9913 11.9913 12.6261 12.6261 14.7249 14.7249 15.0546 15.0546 15.2070 15.2070 16.5714 16.5714 k = 0.0882 0.0509-0.0000 ( 2703 PWs) bands (ev): -48.9686 -48.9686 -48.9513 -48.9513 -23.3183 -23.3183 -23.2465 -23.2465 -15.7559 -15.7559 -15.5748 -15.5748 -15.5064 -15.5064 -15.4858 -15.4858 -2.3623 -2.3623 -1.4604 -1.4604 0.7160 0.7160 7.7183 7.7183 7.9710 7.9710 8.1938 8.1938 8.3014 8.3014 9.0252 9.0252 9.1277 9.1277 11.6365 11.6365 11.9558 11.9558 12.6070 12.6070 14.7765 14.7765 15.0920 15.0920 15.2690 15.2690 16.6164 16.6164 k = 0.0980 0.0566-0.0000 ( 2701 PWs) bands (ev): -48.9683 -48.9683 -48.9512 -48.9512 -23.3190 -23.3190 -23.2478 -23.2478 -15.7564 -15.7564 -15.5799 -15.5799 -15.5116 -15.5116 -15.4862 -15.4862 -2.3368 -2.3368 -1.4423 -1.4423 0.7158 0.7158 7.6589 7.6589 7.9512 7.9512 8.2168 8.2168 8.3306 8.3306 9.0600 9.0600 9.1622 9.1622 11.5428 11.5428 11.9185 11.9185 12.5869 12.5869 14.8307 14.8307 15.1313 15.1313 15.3360 15.3360 16.6645 16.6645 k = 0.1078 0.0623-0.0000 ( 2709 PWs) bands (ev): -48.9681 -48.9681 -48.9511 -48.9511 -23.3199 -23.3199 -23.2493 -23.2493 -15.7572 -15.7572 -15.5854 -15.5854 -15.5172 -15.5172 -15.4868 -15.4868 -2.3088 -2.3088 -1.4225 -1.4225 0.7155 0.7155 7.6009 7.6009 7.9306 7.9306 8.2424 8.2424 8.3627 8.3627 9.0838 9.0838 9.2062 9.2062 11.4445 11.4445 11.8794 11.8794 12.5657 12.5657 14.8867 14.8867 15.1724 15.1724 15.4075 15.4075 16.7150 16.7150 k = 0.1176 0.0679-0.0000 ( 2721 PWs) bands (ev): -48.9678 -48.9678 -48.9510 -48.9510 -23.3208 -23.3208 -23.2509 -23.2509 -15.7580 -15.7580 -15.5914 -15.5914 -15.5234 -15.5234 -15.4874 -15.4874 -2.2786 -2.2786 -1.4012 -1.4012 0.7152 0.7152 7.5446 7.5446 7.9094 7.9094 8.2704 8.2704 8.3974 8.3974 9.1015 9.1015 9.2540 9.2540 11.3432 11.3432 11.8387 11.8387 12.5434 12.5434 14.9438 14.9438 15.2149 15.2149 15.4831 15.4831 16.7672 16.7672 k = 0.1275 0.0736-0.0000 ( 2725 PWs) bands (ev): -48.9675 -48.9675 -48.9509 -48.9509 -23.3217 -23.3217 -23.2526 -23.2526 -15.7589 -15.7589 -15.5976 -15.5976 -15.5297 -15.5297 -15.4882 -15.4882 -2.2460 -2.2460 -1.3785 -1.3785 0.7149 0.7149 7.4903 7.4903 7.8878 7.8878 8.3008 8.3008 8.4348 8.4348 9.1166 9.1166 9.3017 9.3017 11.2400 11.2400 11.7967 11.7967 12.5198 12.5198 15.0014 15.0014 15.2584 15.2584 15.5624 15.5624 16.8197 16.8197 k = 0.1373 0.0792-0.0000 ( 2725 PWs) bands (ev): -48.9672 -48.9672 -48.9508 -48.9508 -23.3227 -23.3227 -23.2544 -23.2544 -15.7599 -15.7599 -15.6040 -15.6040 -15.5364 -15.5364 -15.4891 -15.4891 -2.2114 -2.2114 -1.3545 -1.3545 0.7145 0.7145 7.4381 7.4381 7.8662 7.8662 8.3335 8.3335 8.4749 8.4749 9.1304 9.1304 9.3472 9.3472 11.1360 11.1360 11.7536 11.7536 12.4948 12.4948 15.0587 15.0587 15.3027 15.3027 15.6448 15.6448 16.8694 16.8694 k = 0.1471 0.0849-0.0000 ( 2725 PWs) bands (ev): -48.9669 -48.9669 -48.9507 -48.9507 -23.3236 -23.3236 -23.2563 -23.2563 -15.7611 -15.7611 -15.6107 -15.6107 -15.5432 -15.5432 -15.4901 -15.4901 -2.1747 -2.1747 -1.3293 -1.3293 0.7142 0.7142 7.3884 7.3884 7.8447 7.8447 8.3684 8.3684 8.5174 8.5174 9.1437 9.1437 9.3893 9.3893 11.0325 11.0325 11.7096 11.7096 12.4684 12.4684 15.1152 15.1152 15.3472 15.3472 15.7299 15.7299 16.9076 16.9076 k = 0.1569 0.0906-0.0000 ( 2721 PWs) bands (ev): -48.9665 -48.9665 -48.9505 -48.9505 -23.3246 -23.3246 -23.2582 -23.2582 -15.7624 -15.7624 -15.6177 -15.6177 -15.5502 -15.5502 -15.4912 -15.4912 -2.1361 -2.1361 -1.3030 -1.3030 0.7138 0.7138 7.3413 7.3413 7.8237 7.8237 8.4053 8.4053 8.5624 8.5624 9.1565 9.1565 9.4270 9.4270 10.9307 10.9307 11.6649 11.6649 12.4404 12.4404 15.1706 15.1706 15.3917 15.3917 15.8171 15.8171 16.9176 16.9176 k = 0.1667 0.0962-0.0000 ( 2725 PWs) bands (ev): -48.9662 -48.9662 -48.9504 -48.9504 -23.3256 -23.3256 -23.2603 -23.2603 -15.7639 -15.7639 -15.6249 -15.6249 -15.5574 -15.5574 -15.4924 -15.4924 -2.0957 -2.0957 -1.2758 -1.2758 0.7133 0.7133 7.2969 7.2969 7.8031 7.8031 8.4443 8.4443 8.6097 8.6097 9.1689 9.1689 9.4594 9.4594 10.8319 10.8319 11.6197 11.6197 12.4108 12.4108 15.2244 15.2244 15.4356 15.4356 15.9056 15.9056 16.9035 16.9035 k = 0.1765 0.1019-0.0000 ( 2729 PWs) bands (ev): -48.9658 -48.9658 -48.9503 -48.9503 -23.3267 -23.3267 -23.2625 -23.2625 -15.7656 -15.7656 -15.6324 -15.6324 -15.5646 -15.5646 -15.4938 -15.4938 -2.0536 -2.0536 -1.2477 -1.2477 0.7129 0.7129 7.2553 7.2553 7.7833 7.7833 8.4850 8.4850 8.6593 8.6593 9.1806 9.1806 9.4858 9.4858 10.7374 10.7374 11.5743 11.5743 12.3795 12.3795 15.2764 15.2764 15.4786 15.4786 15.9944 15.9944 16.8799 16.8799 k = 0.1863 0.1075-0.0000 ( 2725 PWs) bands (ev): -48.9654 -48.9654 -48.9501 -48.9501 -23.3278 -23.3278 -23.2647 -23.2647 -15.7675 -15.7675 -15.6400 -15.6400 -15.5718 -15.5718 -15.4951 -15.4951 -2.0099 -2.0099 -1.2189 -1.2189 0.7124 0.7124 7.2167 7.2167 7.7644 7.7644 8.5275 8.5275 8.7110 8.7110 9.1914 9.1914 9.5052 9.5052 10.6489 10.6489 11.5289 11.5289 12.3464 12.3464 15.3263 15.3263 15.5203 15.5203 16.0823 16.0823 16.8531 16.8531 k = 0.1961 0.1132-0.0000 ( 2725 PWs) bands (ev): -48.9650 -48.9650 -48.9500 -48.9500 -23.3289 -23.3289 -23.2670 -23.2670 -15.7696 -15.7696 -15.6478 -15.6478 -15.5789 -15.5789 -15.4966 -15.4966 -1.9649 -1.9649 -1.1895 -1.1895 0.7120 0.7120 7.1811 7.1811 7.7464 7.7464 8.5716 8.5716 8.7647 8.7647 9.2006 9.2006 9.5171 9.5171 10.5680 10.5680 11.4835 11.4835 12.3115 12.3115 15.3740 15.3740 15.5601 15.5601 16.1676 16.1676 16.8253 16.8253 k = 0.2059 0.1189-0.0000 ( 2713 PWs) bands (ev): -48.9645 -48.9645 -48.9498 -48.9498 -23.3299 -23.3299 -23.2693 -23.2693 -15.7720 -15.7720 -15.6557 -15.6557 -15.5857 -15.5857 -15.4982 -15.4982 -1.9186 -1.9186 -1.1596 -1.1596 0.7115 0.7115 7.1487 7.1487 7.7295 7.7295 8.6170 8.6170 8.8203 8.8203 9.2074 9.2074 9.5212 9.5212 10.4962 10.4962 11.4384 11.4384 12.2748 12.2748 15.4193 15.4193 15.5977 15.5977 16.2481 16.2481 16.7986 16.7986 k = 0.2157 0.1245-0.0000 ( 2709 PWs) bands (ev): -48.9641 -48.9641 -48.9497 -48.9497 -23.3310 -23.3310 -23.2716 -23.2716 -15.7746 -15.7746 -15.6638 -15.6638 -15.5923 -15.5923 -15.4998 -15.4998 -1.8712 -1.8712 -1.1295 -1.1295 0.7111 0.7111 7.1195 7.1195 7.7138 7.7138 8.6635 8.6635 8.8776 8.8776 9.2101 9.2101 9.5182 9.5182 10.4348 10.4348 11.3937 11.3937 12.2364 12.2364 15.4620 15.4620 15.6327 15.6327 16.3205 16.3205 16.7746 16.7746 k = 0.2255 0.1302-0.0000 ( 2699 PWs) bands (ev): -48.9636 -48.9636 -48.9495 -48.9495 -23.3320 -23.3320 -23.2740 -23.2740 -15.7775 -15.7775 -15.6720 -15.6720 -15.5985 -15.5985 -15.5016 -15.5016 -1.8228 -1.8228 -1.0992 -1.0992 0.7107 0.7107 7.0937 7.0937 7.6993 7.6993 8.7108 8.7108 8.9363 8.9363 9.2069 9.2069 9.5101 9.5101 10.3846 10.3846 11.3495 11.3495 12.1962 12.1962 15.5019 15.5019 15.6646 15.6646 16.3798 16.3798 16.7552 16.7552 k = 0.2353 0.1358-0.0000 ( 2699 PWs) bands (ev): -48.9632 -48.9632 -48.9494 -48.9494 -23.3332 -23.3332 -23.2765 -23.2765 -15.7807 -15.7807 -15.6805 -15.6805 -15.6045 -15.6045 -15.5034 -15.5034 -1.7737 -1.7737 -1.0688 -1.0688 0.7103 0.7103 7.0712 7.0712 7.6860 7.6860 8.7584 8.7584 8.9960 8.9960 9.1953 9.1953 9.5004 9.5004 10.3452 10.3452 11.3060 11.3060 12.1545 12.1545 15.5388 15.5388 15.6930 15.6930 16.4196 16.4196 16.7401 16.7401 k = 0.2451 0.1415-0.0000 ( 2695 PWs) bands (ev): -48.9627 -48.9627 -48.9492 -48.9492 -23.3343 -23.3343 -23.2790 -23.2790 -15.7841 -15.7841 -15.6890 -15.6890 -15.6100 -15.6100 -15.5053 -15.5053 -1.7239 -1.7239 -1.0386 -1.0386 0.7100 0.7100 7.0520 7.0520 7.6739 7.6739 8.8054 8.8054 9.0553 9.0553 9.1746 9.1746 9.4932 9.4932 10.3157 10.3157 11.2632 11.2632 12.1112 12.1112 15.5723 15.5723 15.7175 15.7175 16.4357 16.4357 16.7231 16.7231 k = 0.2549 0.1472-0.0000 ( 2695 PWs) bands (ev): -48.9623 -48.9623 -48.9491 -48.9491 -23.3354 -23.3354 -23.2815 -23.2815 -15.7879 -15.7879 -15.6977 -15.6977 -15.6151 -15.6151 -15.5072 -15.5072 -1.6738 -1.6738 -1.0085 -1.0085 0.7097 0.7097 7.0363 7.0363 7.6630 7.6630 8.8497 8.8497 9.1023 9.1023 9.1574 9.1574 9.4913 9.4913 10.2945 10.2945 11.2213 11.2213 12.0666 12.0666 15.6018 15.6018 15.7378 15.7378 16.4299 16.4299 16.6970 16.6970 k = 0.2647 0.1528-0.0000 ( 2697 PWs) bands (ev): -48.9618 -48.9618 -48.9490 -48.9490 -23.3365 -23.3365 -23.2841 -23.2841 -15.7919 -15.7919 -15.7065 -15.7065 -15.6197 -15.6197 -15.5092 -15.5092 -1.6233 -1.6233 -0.9789 -0.9789 0.7095 0.7095 7.0240 7.0240 7.6532 7.6532 8.8857 8.8857 9.0905 9.0905 9.1965 9.1965 9.4958 9.4958 10.2798 10.2798 11.1804 11.1804 12.0209 12.0209 15.6264 15.6264 15.7541 15.7541 16.4081 16.4081 16.6626 16.6626 k = 0.2745 0.1585-0.0000 ( 2693 PWs) bands (ev): -48.9613 -48.9613 -48.9489 -48.9489 -23.3375 -23.3375 -23.2867 -23.2867 -15.7960 -15.7960 -15.7153 -15.7153 -15.6238 -15.6238 -15.5112 -15.5112 -1.5728 -1.5728 -0.9497 -0.9497 0.7093 0.7093 7.0151 7.0151 7.6445 7.6445 8.8983 8.8983 9.0715 9.0715 9.2577 9.2577 9.5060 9.5060 10.2698 10.2698 11.1405 11.1405 11.9742 11.9742 15.6445 15.6445 15.7667 15.7667 16.3757 16.3757 16.6248 16.6248 k = 0.2843 0.1641-0.0000 ( 2691 PWs) bands (ev): -48.9609 -48.9609 -48.9487 -48.9487 -23.3385 -23.3385 -23.2893 -23.2893 -15.8004 -15.8004 -15.7242 -15.7242 -15.6275 -15.6275 -15.5133 -15.5133 -1.5224 -1.5224 -0.9211 -0.9211 0.7093 0.7093 7.0096 7.0096 7.6368 7.6368 8.8706 8.8706 9.0840 9.0840 9.3216 9.3216 9.5209 9.5209 10.2631 10.2631 11.1016 11.1016 11.9269 11.9269 15.6540 15.6540 15.7769 15.7769 16.3366 16.3366 16.5869 16.5869 k = 0.2941 0.1698-0.0000 ( 2691 PWs) bands (ev): -48.9604 -48.9604 -48.9486 -48.9486 -23.3395 -23.3395 -23.2918 -23.2918 -15.8049 -15.8049 -15.7330 -15.7330 -15.6307 -15.6307 -15.5154 -15.5154 -1.4723 -1.4723 -0.8932 -0.8932 0.7093 0.7093 7.0074 7.0074 7.6300 7.6300 8.8144 8.8144 9.1200 9.1200 9.3861 9.3861 9.5398 9.5398 10.2584 10.2584 11.0640 11.0640 11.8793 11.8793 15.6523 15.6523 15.7860 15.7860 16.2934 16.2934 16.5507 16.5507 k = 0.3039 0.1755-0.0000 ( 2687 PWs) bands (ev): -48.9599 -48.9599 -48.9485 -48.9485 -23.3405 -23.3405 -23.2942 -23.2942 -15.8095 -15.8095 -15.7418 -15.7418 -15.6334 -15.6334 -15.5174 -15.5174 -1.4227 -1.4227 -0.8661 -0.8661 0.7095 0.7095 7.0085 7.0085 7.6239 7.6239 8.7462 8.7462 9.1654 9.1654 9.4498 9.4498 9.5625 9.5625 10.2549 10.2549 11.0275 11.0275 11.8316 11.8316 15.6373 15.6373 15.7951 15.7951 16.2483 16.2483 16.5172 16.5172 k = 0.3137 0.1811-0.0000 ( 2691 PWs) bands (ev): -48.9595 -48.9595 -48.9484 -48.9484 -23.3414 -23.3414 -23.2968 -23.2968 -15.8141 -15.8141 -15.7505 -15.7505 -15.6358 -15.6358 -15.5196 -15.5196 -1.3738 -1.3738 -0.8400 -0.8400 0.7098 0.7098 7.0128 7.0128 7.6184 7.6184 8.6733 8.6733 9.2140 9.2140 9.5106 9.5106 9.5902 9.5902 10.2519 10.2519 10.9923 10.9923 11.7841 11.7841 15.6084 15.6084 15.8041 15.8041 16.2034 16.2034 16.4866 16.4866 k = 0.3235 0.1868-0.0000 ( 2691 PWs) bands (ev): -48.9590 -48.9590 -48.9483 -48.9483 -23.3423 -23.3423 -23.2993 -23.2993 -15.8188 -15.8188 -15.7591 -15.7591 -15.6378 -15.6378 -15.5217 -15.5217 -1.3258 -1.3258 -0.8149 -0.8149 0.7101 0.7101 7.0202 7.0202 7.6134 7.6134 8.5988 8.5988 9.2639 9.2639 9.5637 9.5637 9.6270 9.6270 10.2489 10.2489 10.9583 10.9583 11.7373 11.7373 15.5662 15.5662 15.8121 15.8121 16.1603 16.1603 16.4588 16.4588 k = 0.3333 0.1925-0.0000 ( 2687 PWs) bands (ev): -48.9586 -48.9586 -48.9483 -48.9483 -23.3431 -23.3431 -23.3016 -23.3016 -15.8234 -15.8234 -15.7674 -15.7674 -15.6394 -15.6394 -15.5237 -15.5237 -1.2788 -1.2788 -0.7909 -0.7909 0.7106 0.7106 7.0306 7.0306 7.6086 7.6086 8.5244 8.5244 9.3138 9.3138 9.6045 9.6045 9.6770 9.6770 10.2455 10.2455 10.9257 10.9257 11.6914 11.6914 15.5119 15.5119 15.8186 15.8186 16.1199 16.1199 16.4336 16.4336 k = 0.3431 0.1981-0.0000 ( 2685 PWs) bands (ev): -48.9582 -48.9582 -48.9482 -48.9482 -23.3438 -23.3438 -23.3040 -23.3040 -15.8278 -15.8278 -15.7756 -15.7756 -15.6408 -15.6408 -15.5258 -15.5258 -1.2332 -1.2332 -0.7680 -0.7680 0.7113 0.7113 7.0439 7.0439 7.6038 7.6038 8.4512 8.4512 9.3631 9.3631 9.6371 9.6371 9.7353 9.7353 10.2415 10.2415 10.8943 10.8943 11.6468 11.6468 15.4475 15.4475 15.8229 15.8229 16.0830 16.0830 16.4108 16.4108 k = 0.3529 0.2038-0.0000 ( 2685 PWs) bands (ev): -48.9577 -48.9577 -48.9481 -48.9481 -23.3446 -23.3446 -23.3062 -23.3062 -15.8322 -15.8322 -15.7836 -15.7836 -15.6419 -15.6419 -15.5277 -15.5277 -1.1891 -1.1891 -0.7464 -0.7464 0.7120 0.7120 7.0598 7.0598 7.5990 7.5990 8.3800 8.3800 9.4114 9.4114 9.6669 9.6669 9.7961 9.7961 10.2368 10.2368 10.8643 10.8643 11.6038 11.6038 15.3751 15.3751 15.8249 15.8249 16.0493 16.0493 16.3901 16.3901 k = 0.3627 0.2094-0.0000 ( 2689 PWs) bands (ev): -48.9573 -48.9573 -48.9481 -48.9481 -23.3453 -23.3453 -23.3085 -23.3085 -15.8364 -15.8364 -15.7913 -15.7913 -15.6427 -15.6427 -15.5297 -15.5297 -1.1467 -1.1467 -0.7262 -0.7262 0.7128 0.7128 7.0782 7.0782 7.5938 7.5938 8.3113 8.3113 9.4583 9.4583 9.6959 9.6959 9.8569 9.8569 10.2313 10.2313 10.8355 10.8355 11.5627 11.5627 15.2970 15.2970 15.8243 15.8243 16.0188 16.0188 16.3713 16.3713 k = 0.3725 0.2151-0.0000 ( 2685 PWs) bands (ev): -48.9569 -48.9569 -48.9480 -48.9480 -23.3458 -23.3458 -23.3106 -23.3106 -15.8404 -15.8404 -15.7986 -15.7986 -15.6433 -15.6433 -15.5316 -15.5316 -1.1061 -1.1061 -0.7072 -0.7072 0.7138 0.7138 7.0989 7.0989 7.5882 7.5882 8.2457 8.2457 9.5034 9.5034 9.7245 9.7245 9.9165 9.9165 10.2251 10.2251 10.8081 10.8081 11.5238 11.5238 15.2154 15.2154 15.8215 15.8215 15.9912 15.9912 16.3542 16.3542 k = 0.3824 0.2208-0.0000 ( 2689 PWs) bands (ev): -48.9565 -48.9565 -48.9480 -48.9480 -23.3464 -23.3464 -23.3127 -23.3127 -15.8441 -15.8441 -15.8057 -15.8057 -15.6438 -15.6438 -15.5335 -15.5335 -1.0676 -1.0676 -0.6897 -0.6897 0.7148 0.7148 7.1217 7.1217 7.5819 7.5819 8.1833 8.1833 9.5466 9.5466 9.7530 9.7530 9.9739 9.9739 10.2186 10.2186 10.7818 10.7818 11.4874 11.4874 15.1324 15.1324 15.8164 15.8164 15.9662 15.9662 16.3387 16.3387 k = 0.3922 0.2264-0.0000 ( 2695 PWs) bands (ev): -48.9562 -48.9562 -48.9480 -48.9480 -23.3469 -23.3469 -23.3147 -23.3147 -15.8475 -15.8475 -15.8124 -15.8124 -15.6442 -15.6442 -15.5353 -15.5353 -1.0314 -1.0314 -0.6736 -0.6736 0.7158 0.7158 7.1463 7.1463 7.5750 7.5750 8.1245 8.1245 9.5873 9.5873 9.7812 9.7812 10.0279 10.0279 10.2125 10.2125 10.7567 10.7567 11.4536 11.4536 15.0498 15.0498 15.8095 15.8095 15.9437 15.9437 16.3245 16.3245 k = 0.4020 0.2321-0.0000 ( 2699 PWs) bands (ev): -48.9558 -48.9558 -48.9480 -48.9480 -23.3474 -23.3474 -23.3165 -23.3165 -15.8507 -15.8507 -15.8188 -15.8188 -15.6444 -15.6444 -15.5369 -15.5369 -0.9976 -0.9976 -0.6590 -0.6590 0.7169 0.7169 7.1725 7.1725 7.5673 7.5673 8.0695 8.0695 9.6256 9.6256 9.8090 9.8090 10.0765 10.0765 10.2086 10.2086 10.7327 10.7327 11.4227 11.4227 14.9693 14.9693 15.8012 15.8012 15.9234 15.9234 16.3116 16.3116 k = 0.4118 0.2377-0.0000 ( 2699 PWs) bands (ev): -48.9555 -48.9555 -48.9480 -48.9480 -23.3477 -23.3477 -23.3182 -23.3182 -15.8534 -15.8534 -15.8247 -15.8247 -15.6445 -15.6445 -15.5384 -15.5384 -0.9664 -0.9664 -0.6458 -0.6458 0.7181 0.7181 7.2000 7.2000 7.5587 7.5587 8.0184 8.0184 9.6610 9.6610 9.8363 9.8363 10.1141 10.1141 10.2124 10.2124 10.7096 10.7096 11.3947 11.3947 14.8922 14.8922 15.7919 15.7919 15.9054 15.9054 16.2998 16.2998 k = 0.4216 0.2434-0.0000 ( 2697 PWs) bands (ev): -48.9552 -48.9552 -48.9480 -48.9480 -23.3480 -23.3480 -23.3198 -23.3198 -15.8558 -15.8558 -15.8302 -15.8302 -15.6445 -15.6445 -15.5398 -15.5398 -0.9379 -0.9379 -0.6341 -0.6341 0.7192 0.7192 7.2284 7.2284 7.5494 7.5494 7.9713 7.9713 9.6935 9.6935 9.8629 9.8629 10.1319 10.1319 10.2324 10.2324 10.6874 10.6874 11.3698 11.3698 14.8198 14.8198 15.7821 15.7821 15.8894 15.8894 16.2891 16.2891 k = 0.4314 0.2491-0.0000 ( 2693 PWs) bands (ev): -48.9550 -48.9550 -48.9480 -48.9480 -23.3481 -23.3481 -23.3212 -23.3212 -15.8578 -15.8578 -15.8352 -15.8352 -15.6444 -15.6444 -15.5411 -15.5411 -0.9123 -0.9123 -0.6238 -0.6238 0.7202 0.7202 7.2574 7.2574 7.5393 7.5393 7.9282 7.9282 9.7227 9.7227 9.8885 9.8885 10.1322 10.1322 10.2662 10.2662 10.6658 10.6658 11.3479 11.3479 14.7533 14.7533 15.7723 15.7723 15.8754 15.8754 16.2795 16.2795 k = 0.4412 0.2547-0.0000 ( 2689 PWs) bands (ev): -48.9547 -48.9547 -48.9480 -48.9480 -23.3483 -23.3483 -23.3224 -23.3224 -15.8593 -15.8593 -15.8397 -15.8397 -15.6443 -15.6443 -15.5422 -15.5422 -0.8898 -0.8898 -0.6150 -0.6150 0.7212 0.7212 7.2866 7.2866 7.5285 7.5285 7.8894 7.8894 9.7486 9.7486 9.9132 9.9132 10.1244 10.1244 10.3045 10.3045 10.6447 10.6447 11.3290 11.3290 14.6936 14.6936 15.7629 15.7629 15.8633 15.8633 16.2709 16.2709 k = 0.4510 0.2604-0.0000 ( 2687 PWs) bands (ev): -48.9545 -48.9545 -48.9480 -48.9480 -23.3484 -23.3484 -23.3235 -23.3235 -15.8605 -15.8605 -15.8437 -15.8437 -15.6443 -15.6443 -15.5432 -15.5432 -0.8705 -0.8705 -0.6077 -0.6077 0.7221 0.7221 7.3156 7.3156 7.5170 7.5170 7.8550 7.8550 9.7708 9.7708 9.9367 9.9367 10.1130 10.1130 10.3425 10.3425 10.6239 10.6239 11.3132 11.3132 14.6416 14.6416 15.7544 15.7544 15.8532 15.8532 16.2635 16.2635 k = 0.4608 0.2660-0.0000 ( 2685 PWs) bands (ev): -48.9543 -48.9543 -48.9480 -48.9480 -23.3485 -23.3485 -23.3243 -23.3243 -15.8613 -15.8613 -15.8473 -15.8473 -15.6442 -15.6442 -15.5440 -15.5440 -0.8546 -0.8546 -0.6017 -0.6017 0.7229 0.7229 7.3439 7.3439 7.5047 7.5047 7.8254 7.8254 9.7893 9.7893 9.9590 9.9590 10.0999 10.0999 10.3785 10.3785 10.6032 10.6032 11.3004 11.3004 14.5980 14.5980 15.7470 15.7470 15.8448 15.8448 16.2572 16.2572 k = 0.4706 0.2717-0.0000 ( 2682 PWs) bands (ev): -48.9542 -48.9542 -48.9480 -48.9480 -23.3485 -23.3485 -23.3250 -23.3250 -15.8617 -15.8617 -15.8502 -15.8502 -15.6441 -15.6441 -15.5446 -15.5446 -0.8420 -0.8420 -0.5971 -0.5971 0.7235 0.7235 7.3711 7.3711 7.4914 7.4914 7.8012 7.8012 9.8039 9.8039 9.9801 9.9801 10.0855 10.0855 10.4118 10.4118 10.5823 10.5823 11.2905 11.2905 14.5634 14.5634 15.7410 15.7410 15.8384 15.8384 16.2522 16.2522 k = 0.4804 0.2774-0.0000 ( 2682 PWs) bands (ev): -48.9541 -48.9541 -48.9480 -48.9480 -23.3486 -23.3486 -23.3255 -23.3255 -15.8618 -15.8618 -15.8525 -15.8525 -15.6440 -15.6440 -15.5450 -15.5450 -0.8330 -0.8330 -0.5938 -0.5938 0.7240 0.7240 7.3965 7.3965 7.4769 7.4769 7.7829 7.7829 9.8145 9.8145 10.0001 10.0001 10.0702 10.0702 10.4416 10.4416 10.5617 10.5617 11.2835 11.2835 14.5384 14.5384 15.7367 15.7367 15.8337 15.8337 16.2486 16.2486 k = 0.4902 0.2830-0.0000 ( 2694 PWs) bands (ev): -48.9540 -48.9540 -48.9481 -48.9481 -23.3487 -23.3487 -23.3260 -23.3260 -15.8617 -15.8617 -15.8542 -15.8542 -15.6440 -15.6440 -15.5454 -15.5454 -0.8275 -0.8275 -0.5919 -0.5919 0.7243 0.7243 7.4197 7.4197 7.4607 7.4607 7.7716 7.7716 9.8208 9.8208 10.0190 10.0190 10.0540 10.0540 10.4662 10.4662 10.5427 10.5427 11.2793 11.2793 14.5232 14.5232 15.7340 15.7340 15.8309 15.8309 16.2463 16.2463 k = 0.5000 0.2887-0.0000 ( 2708 PWs) bands (ev): -48.9540 -48.9540 -48.9481 -48.9481 -23.3489 -23.3489 -23.3262 -23.3262 -15.8618 -15.8618 -15.8548 -15.8548 -15.6441 -15.6441 -15.5456 -15.5456 -0.8257 -0.8257 -0.5913 -0.5913 0.7244 0.7244 7.4363 7.4363 7.4465 7.4465 7.7677 7.7677 9.8230 9.8230 10.0354 10.0354 10.0385 10.0385 10.4778 10.4778 10.5330 10.5330 11.2779 11.2779 14.5182 14.5182 15.7331 15.7331 15.8300 15.8300 16.2456 16.2456 k = 0.5000 0.2887-0.0000 ( 2708 PWs) bands (ev): -48.9540 -48.9540 -48.9481 -48.9481 -23.3489 -23.3489 -23.3262 -23.3262 -15.8618 -15.8618 -15.8548 -15.8548 -15.6441 -15.6441 -15.5456 -15.5456 -0.8257 -0.8257 -0.5913 -0.5913 0.7244 0.7244 7.4363 7.4363 7.4465 7.4465 7.7677 7.7677 9.8230 9.8230 10.0354 10.0354 10.0385 10.0385 10.4778 10.4778 10.5330 10.5330 11.2779 11.2779 14.5182 14.5182 15.7331 15.7331 15.8300 15.8300 16.2456 16.2456 k = 0.4944 0.2983-0.0000 ( 2692 PWs) bands (ev): -48.9540 -48.9540 -48.9481 -48.9481 -23.3487 -23.3487 -23.3261 -23.3261 -15.8630 -15.8630 -15.8533 -15.8533 -15.6441 -15.6441 -15.5456 -15.5456 -0.8255 -0.8255 -0.5905 -0.5905 0.7247 0.7247 7.4368 7.4368 7.4483 7.4483 7.7681 7.7681 9.8215 9.8215 10.0194 10.0194 10.0434 10.0434 10.4835 10.4835 10.5340 10.5340 11.2783 11.2783 14.5083 14.5083 15.7376 15.7376 15.8371 15.8371 16.2491 16.2491 k = 0.4889 0.3079-0.0000 ( 2684 PWs) bands (ev): -48.9540 -48.9540 -48.9480 -48.9480 -23.3487 -23.3487 -23.3260 -23.3260 -15.8656 -15.8656 -15.8504 -15.8504 -15.6444 -15.6444 -15.5461 -15.5461 -0.8249 -0.8249 -0.5884 -0.5884 0.7256 0.7256 7.4386 7.4386 7.4533 7.4533 7.7692 7.7692 9.8171 9.8171 9.9858 9.9858 10.0464 10.0464 10.4919 10.4919 10.5432 10.5432 11.2797 11.2797 14.4798 14.4798 15.7489 15.7489 15.8591 15.8591 16.2596 16.2596 k = 0.4833 0.3175-0.0000 ( 2680 PWs) bands (ev): -48.9539 -48.9539 -48.9480 -48.9480 -23.3488 -23.3488 -23.3261 -23.3261 -15.8685 -15.8685 -15.8471 -15.8471 -15.6449 -15.6449 -15.5469 -15.5469 -0.8239 -0.8239 -0.5850 -0.5850 0.7272 0.7272 7.4421 7.4421 7.4611 7.4611 7.7710 7.7710 9.8087 9.8087 9.9389 9.9389 10.0494 10.0494 10.4887 10.4887 10.5694 10.5694 11.2822 11.2822 14.4357 14.4357 15.7632 15.7632 15.8960 15.8960 16.2768 16.2768 k = 0.4778 0.3272-0.0000 ( 2676 PWs) bands (ev): -48.9539 -48.9539 -48.9480 -48.9480 -23.3489 -23.3489 -23.3261 -23.3261 -15.8715 -15.8715 -15.8436 -15.8436 -15.6457 -15.6457 -15.5480 -15.5480 -0.8224 -0.8224 -0.5802 -0.5802 0.7295 0.7295 7.4476 7.4476 7.4715 7.4715 7.7735 7.7735 9.7937 9.7937 9.8858 9.8858 10.0530 10.0530 10.4753 10.4753 10.6063 10.6063 11.2859 11.2859 14.3794 14.3794 15.7779 15.7779 15.9450 15.9450 16.3000 16.3000 k = 0.4722 0.3368-0.0000 ( 2680 PWs) bands (ev): -48.9538 -48.9538 -48.9481 -48.9481 -23.3492 -23.3492 -23.3262 -23.3262 -15.8745 -15.8745 -15.8400 -15.8400 -15.6467 -15.6467 -15.5495 -15.5495 -0.8206 -0.8206 -0.5741 -0.5741 0.7323 0.7323 7.4552 7.4552 7.4843 7.4843 7.7769 7.7769 9.7634 9.7634 9.8387 9.8387 10.0570 10.0570 10.4557 10.4557 10.6469 10.6469 11.2910 11.2910 14.3148 14.3148 15.7919 15.7919 16.0013 16.0013 16.3284 16.3284 k = 0.4667 0.3464-0.0000 ( 2678 PWs) bands (ev): -48.9538 -48.9538 -48.9481 -48.9481 -23.3494 -23.3494 -23.3263 -23.3263 -15.8774 -15.8774 -15.8363 -15.8363 -15.6480 -15.6480 -15.5512 -15.5512 -0.8183 -0.8183 -0.5669 -0.5669 0.7357 0.7357 7.4649 7.4649 7.4995 7.4995 7.7811 7.7811 9.7090 9.7090 9.8084 9.8084 10.0612 10.0612 10.4314 10.4314 10.6878 10.6878 11.2977 11.2977 14.2447 14.2447 15.8042 15.8042 16.0601 16.0601 16.3601 16.3601 k = 0.4611 0.3560-0.0000 ( 2674 PWs) bands (ev): -48.9537 -48.9537 -48.9481 -48.9481 -23.3496 -23.3496 -23.3264 -23.3264 -15.8803 -15.8803 -15.8325 -15.8325 -15.6494 -15.6494 -15.5532 -15.5532 -0.8156 -0.8156 -0.5587 -0.5587 0.7397 0.7397 7.4768 7.4768 7.5172 7.5172 7.7862 7.7862 9.6398 9.6398 9.7869 9.7869 10.0649 10.0649 10.4036 10.4036 10.7272 10.7272 11.3061 11.3061 14.1717 14.1717 15.8137 15.8137 16.1170 16.1170 16.3925 16.3925 k = 0.4556 0.3657-0.0000 ( 2678 PWs) bands (ev): -48.9536 -48.9536 -48.9481 -48.9481 -23.3500 -23.3500 -23.3266 -23.3266 -15.8832 -15.8832 -15.8286 -15.8286 -15.6511 -15.6511 -15.5554 -15.5554 -0.8125 -0.8125 -0.5495 -0.5495 0.7442 0.7442 7.4907 7.4907 7.5372 7.5372 7.7922 7.7922 9.5646 9.5646 9.7666 9.7666 10.0670 10.0670 10.3740 10.3740 10.7641 10.7641 11.3163 11.3163 14.0976 14.0976 15.8187 15.8187 16.1683 16.1683 16.4220 16.4220 k = 0.4500 0.3753-0.0000 ( 2676 PWs) bands (ev): -48.9535 -48.9535 -48.9481 -48.9481 -23.3503 -23.3503 -23.3267 -23.3267 -15.8860 -15.8860 -15.8247 -15.8247 -15.6529 -15.6529 -15.5579 -15.5579 -0.8089 -0.8089 -0.5395 -0.5395 0.7492 0.7492 7.5067 7.5067 7.5595 7.5595 7.7993 7.7993 9.4864 9.4864 9.7449 9.7449 10.0657 10.0657 10.3447 10.3447 10.7978 10.7978 11.3282 11.3282 14.0239 14.0239 15.8180 15.8180 16.2096 16.2096 16.4461 16.4461 k = 0.4444 0.3849-0.0000 ( 2680 PWs) bands (ev): -48.9534 -48.9534 -48.9481 -48.9481 -23.3507 -23.3507 -23.3270 -23.3270 -15.8888 -15.8888 -15.8207 -15.8207 -15.6549 -15.6549 -15.5607 -15.5607 -0.8049 -0.8049 -0.5287 -0.5287 0.7547 0.7547 7.5249 7.5249 7.5842 7.5842 7.8075 7.8075 9.4067 9.4067 9.7211 9.7211 10.0583 10.0583 10.3187 10.3187 10.8281 10.8281 11.3417 11.3417 13.9516 13.9516 15.8108 15.8108 16.2347 16.2347 16.4682 16.4682 k = 0.4389 0.3945-0.0000 ( 2674 PWs) bands (ev): -48.9532 -48.9532 -48.9481 -48.9481 -23.3511 -23.3511 -23.3271 -23.3271 -15.8914 -15.8914 -15.8166 -15.8166 -15.6570 -15.6570 -15.5636 -15.5636 -0.8005 -0.8005 -0.5174 -0.5174 0.7606 0.7606 7.5450 7.5450 7.6111 7.6111 7.8169 7.8169 9.3263 9.3263 9.6946 9.6946 10.0420 10.0420 10.2996 10.2996 10.8547 10.8547 11.3568 11.3568 13.8814 13.8814 15.7967 15.7967 16.2377 16.2377 16.4970 16.4970 k = 0.4333 0.4041-0.0000 ( 2678 PWs) bands (ev): -48.9531 -48.9531 -48.9482 -48.9482 -23.3515 -23.3515 -23.3274 -23.3274 -15.8941 -15.8941 -15.8125 -15.8125 -15.6594 -15.6594 -15.5667 -15.5667 -0.7958 -0.7958 -0.5056 -0.5056 0.7669 0.7669 7.5672 7.5672 7.6403 7.6403 7.8276 7.8276 9.2458 9.2458 9.6651 9.6651 10.0147 10.0147 10.2898 10.2898 10.8775 10.8775 11.3732 11.3732 13.8140 13.8140 15.7764 15.7764 16.2193 16.2193 16.5380 16.5380 k = 0.4278 0.4138-0.0000 ( 2690 PWs) bands (ev): -48.9530 -48.9530 -48.9482 -48.9482 -23.3520 -23.3520 -23.3278 -23.3278 -15.8968 -15.8968 -15.8084 -15.8084 -15.6620 -15.6620 -15.5700 -15.5700 -0.7908 -0.7908 -0.4934 -0.4934 0.7735 0.7735 7.5913 7.5913 7.6715 7.6715 7.8399 7.8399 9.1656 9.1656 9.6322 9.6322 9.9770 9.9770 10.2895 10.2895 10.8965 10.8965 11.3907 11.3907 13.7498 13.7498 15.7508 15.7508 16.1858 16.1858 16.5895 16.5895 k = 0.4222 0.4234-0.0000 ( 2682 PWs) bands (ev): -48.9528 -48.9528 -48.9483 -48.9483 -23.3524 -23.3524 -23.3279 -23.3279 -15.8992 -15.8992 -15.8040 -15.8040 -15.6646 -15.6646 -15.5732 -15.5732 -0.7854 -0.7854 -0.4811 -0.4811 0.7804 0.7804 7.6173 7.6173 7.7046 7.7046 7.8539 7.8539 9.0862 9.0862 9.5957 9.5957 9.9314 9.9314 10.2970 10.2970 10.9117 10.9117 11.4091 11.4091 13.6889 13.6889 15.7212 15.7212 16.1437 16.1437 16.6484 16.6484 k = 0.4167 0.4330-0.0000 ( 2682 PWs) bands (ev): -48.9526 -48.9526 -48.9483 -48.9483 -23.3528 -23.3528 -23.3282 -23.3282 -15.9017 -15.9017 -15.7998 -15.7998 -15.6673 -15.6673 -15.5765 -15.5765 -0.7799 -0.7799 -0.4687 -0.4687 0.7874 0.7874 7.6449 7.6449 7.7395 7.7395 7.8698 7.8698 9.0080 9.0080 9.5552 9.5552 9.8807 9.8807 10.3102 10.3102 10.9232 10.9232 11.4281 11.4281 13.6316 13.6316 15.6889 15.6889 16.0972 16.0972 16.7124 16.7124 k = 0.4111 0.4426-0.0000 ( 2674 PWs) bands (ev): -48.9525 -48.9525 -48.9483 -48.9483 -23.3532 -23.3532 -23.3284 -23.3284 -15.9040 -15.9040 -15.7955 -15.7955 -15.6702 -15.6702 -15.5798 -15.5798 -0.7742 -0.7742 -0.4563 -0.4563 0.7945 0.7945 7.6741 7.6741 7.7759 7.7759 7.8882 7.8882 8.9312 8.9312 9.5105 9.5105 9.8271 9.8271 10.3276 10.3276 10.9310 10.9310 11.4475 11.4475 13.5780 13.5780 15.6550 15.6550 16.0488 16.0488 16.7798 16.7798 k = 0.4056 0.4523-0.0000 ( 2674 PWs) bands (ev): -48.9523 -48.9523 -48.9484 -48.9484 -23.3536 -23.3536 -23.3287 -23.3287 -15.9063 -15.9063 -15.7912 -15.7912 -15.6732 -15.6732 -15.5831 -15.5831 -0.7683 -0.7683 -0.4442 -0.4442 0.8017 0.8017 7.7045 7.7045 7.8133 7.8133 7.9094 7.9094 8.8562 8.8562 9.4611 9.4611 9.7724 9.7724 10.3481 10.3481 10.9354 10.9354 11.4671 11.4671 13.5280 13.5280 15.6206 15.6206 16.0002 16.0002 16.8494 16.8494 k = 0.4000 0.4619-0.0000 ( 2682 PWs) bands (ev): -48.9521 -48.9521 -48.9484 -48.9484 -23.3541 -23.3541 -23.3291 -23.3291 -15.9086 -15.9086 -15.7870 -15.7870 -15.6763 -15.6763 -15.5865 -15.5865 -0.7624 -0.7624 -0.4323 -0.4323 0.8088 0.8088 7.7357 7.7357 7.8513 7.8513 7.9341 7.9341 8.7834 8.7834 9.4071 9.4071 9.7181 9.7181 10.3711 10.3711 10.9364 10.9364 11.4865 11.4865 13.4817 13.4817 15.5867 15.5867 15.9526 15.9526 16.9200 16.9200 k = 0.3944 0.4715-0.0000 ( 2682 PWs) bands (ev): -48.9519 -48.9519 -48.9485 -48.9485 -23.3545 -23.3545 -23.3294 -23.3294 -15.9107 -15.9107 -15.7827 -15.7827 -15.6795 -15.6795 -15.5896 -15.5896 -0.7566 -0.7566 -0.4208 -0.4208 0.8158 0.8158 7.7675 7.7675 7.8893 7.8893 7.9628 7.9628 8.7130 8.7130 9.3485 9.3485 9.6652 9.6652 10.3960 10.3960 10.9342 10.9342 11.5056 11.5056 13.4390 13.4390 15.5540 15.5540 15.9067 15.9067 16.9909 16.9909 k = 0.3889 0.4811-0.0000 ( 2682 PWs) bands (ev): -48.9517 -48.9517 -48.9486 -48.9486 -23.3549 -23.3549 -23.3298 -23.3298 -15.9127 -15.9127 -15.7785 -15.7785 -15.6827 -15.6827 -15.5926 -15.5926 -0.7508 -0.7508 -0.4098 -0.4098 0.8226 0.8226 7.7993 7.7993 7.9271 7.9271 7.9959 7.9959 8.6454 8.6454 9.2857 9.2857 9.6142 9.6142 10.4226 10.4226 10.9289 10.9289 11.5240 11.5240 13.3999 13.3999 15.5231 15.5231 15.8632 15.8632 17.0612 17.0612 k = 0.3833 0.4907-0.0000 ( 2684 PWs) bands (ev): -48.9515 -48.9515 -48.9487 -48.9487 -23.3552 -23.3552 -23.3301 -23.3301 -15.9146 -15.9146 -15.7744 -15.7744 -15.6860 -15.6860 -15.5955 -15.5955 -0.7453 -0.7453 -0.3995 -0.3995 0.8291 0.8291 7.8307 7.8307 7.9646 7.9646 8.0331 8.0331 8.5810 8.5810 9.2193 9.2193 9.5656 9.5656 10.4505 10.4505 10.9207 10.9207 11.5417 11.5417 13.3642 13.3642 15.4944 15.4944 15.8225 15.8225 17.1301 17.1301 k = 0.3778 0.5004-0.0000 ( 2680 PWs) bands (ev): -48.9513 -48.9513 -48.9487 -48.9487 -23.3555 -23.3555 -23.3303 -23.3303 -15.9163 -15.9163 -15.7704 -15.7704 -15.6892 -15.6892 -15.5980 -15.5980 -0.7399 -0.7399 -0.3899 -0.3899 0.8352 0.8352 7.8615 7.8615 8.0023 8.0023 8.0734 8.0734 8.5202 8.5202 9.1501 9.1501 9.5197 9.5197 10.4795 10.4795 10.9096 10.9096 11.5583 11.5583 13.3321 13.3321 15.4683 15.4683 15.7851 15.7851 17.1968 17.1968 k = 0.3722 0.5100-0.0000 ( 2684 PWs) bands (ev): -48.9512 -48.9512 -48.9488 -48.9488 -23.3559 -23.3559 -23.3307 -23.3307 -15.9179 -15.9179 -15.7666 -15.7666 -15.6925 -15.6925 -15.6004 -15.6004 -0.7349 -0.7349 -0.3811 -0.3811 0.8409 0.8409 7.8916 7.8916 8.0401 8.0401 8.1157 8.1157 8.4637 8.4637 9.0789 9.0789 9.4768 9.4768 10.5094 10.5094 10.8958 10.8958 11.5737 11.5737 13.3034 13.3034 15.4450 15.4450 15.7513 15.7513 17.2607 17.2607 k = 0.3667 0.5196-0.0000 ( 2684 PWs) bands (ev): -48.9510 -48.9510 -48.9490 -48.9490 -23.3561 -23.3561 -23.3309 -23.3309 -15.9194 -15.9194 -15.7630 -15.7630 -15.6956 -15.6956 -15.6025 -15.6025 -0.7303 -0.7303 -0.3733 -0.3733 0.8459 0.8459 7.9210 7.9210 8.0769 8.0769 8.1589 8.1589 8.4126 8.4126 9.0068 9.0068 9.4373 9.4373 10.5400 10.5400 10.8794 10.8794 11.5875 11.5875 13.2783 13.2783 15.4247 15.4247 15.7214 15.7214 17.3210 17.3210 k = 0.3611 0.5292-0.0000 ( 2684 PWs) bands (ev): -48.9508 -48.9508 -48.9491 -48.9491 -23.3563 -23.3563 -23.3312 -23.3312 -15.9206 -15.9206 -15.7597 -15.7597 -15.6986 -15.6986 -15.6043 -15.6043 -0.7262 -0.7262 -0.3664 -0.3664 0.8504 0.8504 7.9499 7.9499 8.1104 8.1104 8.2021 8.2021 8.3688 8.3688 8.9350 8.9350 9.4017 9.4017 10.5712 10.5712 10.8605 10.8605 11.5997 11.5997 13.2567 13.2567 15.4076 15.4076 15.6956 15.6956 17.3773 17.3773 k = 0.3556 0.5389-0.0000 ( 2684 PWs) bands (ev): -48.9506 -48.9506 -48.9492 -48.9492 -23.3565 -23.3565 -23.3314 -23.3314 -15.9217 -15.9217 -15.7567 -15.7567 -15.7012 -15.7012 -15.6058 -15.6058 -0.7226 -0.7226 -0.3607 -0.3607 0.8541 0.8541 7.9785 7.9785 8.1353 8.1353 8.2444 8.2444 8.3362 8.3362 8.8652 8.8652 9.3707 9.3707 10.6027 10.6027 10.8392 10.8392 11.6099 11.6099 13.2387 13.2387 15.3936 15.3936 15.6742 15.6742 17.4287 17.4287 k = 0.3500 0.5485-0.0000 ( 2684 PWs) bands (ev): -48.9504 -48.9504 -48.9493 -48.9493 -23.3567 -23.3567 -23.3315 -23.3315 -15.9226 -15.9226 -15.7543 -15.7543 -15.7035 -15.7035 -15.6070 -15.6070 -0.7197 -0.7197 -0.3561 -0.3561 0.8571 0.8571 8.0068 8.0068 8.1445 8.1445 8.2842 8.2842 8.3202 8.3202 8.7998 8.7998 9.3452 9.3452 10.6344 10.6344 10.8155 10.8155 11.6181 11.6181 13.2245 13.2245 15.3828 15.3828 15.6573 15.6573 17.4747 17.4747 k = 0.3444 0.5581-0.0000 ( 2688 PWs) bands (ev): -48.9502 -48.9502 -48.9495 -48.9495 -23.3568 -23.3568 -23.3317 -23.3317 -15.9232 -15.9232 -15.7525 -15.7525 -15.7052 -15.7052 -15.6079 -15.6079 -0.7176 -0.7176 -0.3527 -0.3527 0.8593 0.8593 8.0349 8.0349 8.1355 8.1355 8.3174 8.3174 8.3225 8.3225 8.7432 8.7432 9.3260 9.3260 10.6661 10.6661 10.7897 10.7897 11.6241 11.6241 13.2142 13.2142 15.3751 15.3751 15.6450 15.6450 17.5142 17.5142 k = 0.3389 0.5677-0.0000 ( 2688 PWs) bands (ev): -48.9500 -48.9500 -48.9497 -48.9497 -23.3569 -23.3569 -23.3318 -23.3318 -15.9236 -15.9236 -15.7513 -15.7513 -15.7063 -15.7063 -15.6084 -15.6084 -0.7162 -0.7162 -0.3507 -0.3507 0.8606 0.8606 8.0624 8.0624 8.1150 8.1150 8.3314 8.3314 8.3413 8.3413 8.7029 8.7029 9.3140 9.3140 10.6971 10.6971 10.7622 10.7622 11.6278 11.6278 13.2079 13.2079 15.3706 15.3706 15.6376 15.6376 17.5446 17.5446 k = 0.3333 0.5774-0.0000 ( 2676 PWs) bands (ev): -48.9498 -48.9498 -48.9498 -48.9498 -23.3568 -23.3568 -23.3317 -23.3317 -15.9237 -15.9237 -15.7509 -15.7509 -15.7066 -15.7066 -15.6085 -15.6085 -0.7157 -0.7157 -0.3500 -0.3500 0.8611 0.8611 8.0845 8.0845 8.0945 8.0945 8.3428 8.3428 8.3431 8.3431 8.6880 8.6880 9.3099 9.3099 10.7204 10.7204 10.7401 10.7401 11.6290 11.6290 13.2057 13.2057 15.3691 15.3691 15.6351 15.6351 17.5576 17.5576 k = 0.3333 0.5774-0.0000 ( 2676 PWs) bands (ev): -48.9498 -48.9498 -48.9498 -48.9498 -23.3568 -23.3568 -23.3317 -23.3317 -15.9237 -15.9237 -15.7509 -15.7509 -15.7066 -15.7066 -15.6085 -15.6085 -0.7157 -0.7157 -0.3500 -0.3500 0.8611 0.8611 8.0845 8.0845 8.0945 8.0945 8.3428 8.3428 8.3431 8.3431 8.6880 8.6880 9.3099 9.3099 10.7204 10.7204 10.7401 10.7401 11.6290 11.6290 13.2057 13.2057 15.3691 15.3691 15.6351 15.6351 17.5576 17.5576 k = 0.3277 0.5676-0.0000 ( 2682 PWs) bands (ev): -48.9500 -48.9500 -48.9496 -48.9496 -23.3568 -23.3568 -23.3317 -23.3317 -15.9236 -15.9236 -15.7513 -15.7513 -15.7063 -15.7063 -15.6083 -15.6083 -0.7162 -0.7162 -0.3507 -0.3507 0.8606 0.8606 8.0634 8.0634 8.1138 8.1138 8.3224 8.3224 8.3508 8.3508 8.7025 8.7025 9.3142 9.3142 10.6959 10.6959 10.7634 10.7634 11.6277 11.6277 13.2080 13.2080 15.3706 15.3706 15.6377 15.6377 17.5446 17.5446 k = 0.3220 0.5578-0.0000 ( 2686 PWs) bands (ev): -48.9502 -48.9502 -48.9495 -48.9495 -23.3568 -23.3568 -23.3317 -23.3317 -15.9231 -15.9231 -15.7523 -15.7523 -15.7053 -15.7053 -15.6079 -15.6079 -0.7179 -0.7179 -0.3530 -0.3530 0.8592 0.8592 8.0395 8.0395 8.1284 8.1284 8.2919 8.2919 8.3532 8.3532 8.7401 8.7401 9.3267 9.3267 10.6617 10.6617 10.7937 10.7937 11.6239 11.6239 13.2149 13.2149 15.3751 15.3751 15.6457 15.6457 17.5159 17.5159 k = 0.3164 0.5480-0.0000 ( 2686 PWs) bands (ev): -48.9504 -48.9504 -48.9493 -48.9493 -23.3567 -23.3567 -23.3315 -23.3315 -15.9224 -15.9224 -15.7538 -15.7538 -15.7038 -15.7038 -15.6070 -15.6070 -0.7207 -0.7207 -0.3567 -0.3567 0.8569 0.8569 8.0172 8.0172 8.1214 8.1214 8.2736 8.2736 8.3500 8.3500 8.7913 8.7913 9.3469 9.3469 10.6254 10.6254 10.8238 10.8238 11.6176 11.6176 13.2267 13.2267 15.3825 15.3825 15.6590 15.6590 17.4806 17.4806 k = 0.3107 0.5382-0.0000 ( 2682 PWs) bands (ev): -48.9507 -48.9507 -48.9491 -48.9491 -23.3565 -23.3565 -23.3312 -23.3312 -15.9213 -15.9213 -15.7556 -15.7556 -15.7019 -15.7019 -15.6057 -15.6057 -0.7249 -0.7249 -0.3620 -0.3620 0.8538 0.8538 7.9959 7.9959 8.0868 8.0868 8.2797 8.2797 8.3424 8.3424 8.8502 8.8502 9.3736 9.3736 10.5873 10.5873 10.8529 10.8529 11.6089 11.6089 13.2434 13.2434 15.3928 15.3928 15.6778 15.6778 17.4418 17.4418 k = 0.3051 0.5284-0.0000 ( 2682 PWs) bands (ev): -48.9509 -48.9509 -48.9490 -48.9490 -23.3563 -23.3563 -23.3308 -23.3308 -15.9199 -15.9199 -15.7576 -15.7576 -15.6998 -15.6998 -15.6042 -15.6042 -0.7305 -0.7305 -0.3689 -0.3689 0.8498 0.8498 7.9712 7.9712 8.0411 8.0411 8.2987 8.2987 8.3342 8.3342 8.9131 8.9131 9.4056 9.4056 10.5478 10.5478 10.8810 10.8810 11.5981 11.5981 13.2652 13.2652 15.4058 15.4058 15.7022 15.7022 17.4008 17.4008 k = 0.2994 0.5186-0.0000 ( 2680 PWs) bands (ev): -48.9512 -48.9512 -48.9488 -48.9488 -23.3560 -23.3560 -23.3304 -23.3304 -15.9181 -15.9181 -15.7597 -15.7597 -15.6976 -15.6976 -15.6023 -15.6023 -0.7376 -0.7376 -0.3773 -0.3773 0.8451 0.8451 7.9326 7.9326 8.0051 8.0051 8.3048 8.3048 8.3438 8.3438 8.9780 8.9780 9.4414 9.4414 10.5071 10.5071 10.9076 10.9076 11.5855 11.5855 13.2923 13.2923 15.4216 15.4216 15.7321 15.7321 17.3585 17.3585 k = 0.2938 0.5089-0.0000 ( 2688 PWs) bands (ev): -48.9514 -48.9514 -48.9487 -48.9487 -23.3558 -23.3558 -23.3299 -23.3299 -15.9161 -15.9161 -15.7617 -15.7617 -15.6954 -15.6954 -15.6002 -15.6002 -0.7464 -0.7464 -0.3873 -0.3873 0.8397 0.8397 7.8777 7.8777 7.9850 7.9850 8.2932 8.2932 8.3738 8.3738 9.0432 9.0432 9.4798 9.4798 10.4655 10.4655 10.9325 10.9325 11.5715 11.5715 13.3248 13.3248 15.4401 15.4401 15.7677 15.7677 17.3154 17.3154 k = 0.2881 0.4991-0.0000 ( 2688 PWs) bands (ev): -48.9517 -48.9517 -48.9486 -48.9486 -23.3555 -23.3555 -23.3292 -23.3292 -15.9136 -15.9136 -15.7636 -15.7636 -15.6931 -15.6931 -15.5978 -15.5978 -0.7569 -0.7569 -0.3987 -0.3987 0.8337 0.8337 7.8164 7.8164 7.9724 7.9724 8.2799 8.2799 8.4090 8.4090 9.1073 9.1073 9.5197 9.5197 10.4231 10.4231 10.9554 10.9554 11.5569 11.5569 13.3626 13.3626 15.4613 15.4613 15.8088 15.8088 17.2719 17.2719 k = 0.2825 0.4893-0.0000 ( 2688 PWs) bands (ev): -48.9520 -48.9520 -48.9485 -48.9485 -23.3552 -23.3552 -23.3284 -23.3284 -15.9108 -15.9108 -15.7653 -15.7653 -15.6908 -15.6908 -15.5951 -15.5951 -0.7694 -0.7694 -0.4117 -0.4117 0.8272 0.8272 7.7537 7.7537 7.9621 7.9621 8.2689 8.2689 8.4463 8.4463 9.1693 9.1693 9.5601 9.5601 10.3802 10.3802 10.9760 10.9760 11.5423 11.5423 13.4058 13.4058 15.4853 15.4853 15.8553 15.8553 17.2284 17.2284 k = 0.2768 0.4795-0.0000 ( 2686 PWs) bands (ev): -48.9523 -48.9523 -48.9484 -48.9484 -23.3547 -23.3547 -23.3276 -23.3276 -15.9077 -15.9077 -15.7668 -15.7668 -15.6885 -15.6885 -15.5922 -15.5922 -0.7838 -0.7838 -0.4260 -0.4260 0.8204 0.8204 7.6914 7.6914 7.9517 7.9517 8.2624 8.2624 8.4850 8.4850 9.2277 9.2277 9.6004 9.6004 10.3371 10.3371 10.9939 10.9939 11.5286 11.5286 13.4543 13.4543 15.5121 15.5121 15.9071 15.9071 17.1852 17.1852 k = 0.2712 0.4697-0.0000 ( 2686 PWs) bands (ev): -48.9527 -48.9527 -48.9483 -48.9483 -23.3543 -23.3543 -23.3266 -23.3266 -15.9041 -15.9041 -15.7679 -15.7679 -15.6863 -15.6863 -15.5891 -15.5891 -0.8004 -0.8004 -0.4417 -0.4417 0.8132 0.8132 7.6305 7.6305 7.9399 7.9399 8.2620 8.2620 8.5248 8.5248 9.2813 9.2813 9.6399 9.6399 10.2941 10.2941 11.0088 11.0088 11.5169 11.5169 13.5081 13.5081 15.5420 15.5420 15.9638 15.9638 17.1426 17.1426 k = 0.2655 0.4599-0.0000 ( 2697 PWs) bands (ev): -48.9530 -48.9530 -48.9482 -48.9482 -23.3539 -23.3539 -23.3256 -23.3256 -15.9003 -15.9003 -15.7689 -15.7689 -15.6842 -15.6842 -15.5859 -15.5859 -0.8192 -0.8192 -0.4586 -0.4586 0.8058 0.8058 7.5715 7.5715 7.9259 7.9259 8.2688 8.2688 8.5654 8.5654 9.3291 9.3291 9.6779 9.6779 10.2515 10.2515 11.0202 11.0202 11.5085 11.5085 13.5669 13.5669 15.5751 15.5751 16.0252 16.0252 17.1009 17.1009 k = 0.2599 0.4501-0.0000 ( 2701 PWs) bands (ev): -48.9534 -48.9534 -48.9482 -48.9482 -23.3535 -23.3535 -23.3244 -23.3244 -15.8962 -15.8962 -15.7695 -15.7695 -15.6821 -15.6821 -15.5825 -15.5825 -0.8403 -0.8403 -0.4767 -0.4767 0.7984 0.7984 7.5146 7.5146 7.9094 7.9094 8.2830 8.2830 8.6068 8.6068 9.3698 9.3698 9.7139 9.7139 10.2095 10.2095 11.0280 11.0280 11.5043 11.5043 13.6304 13.6304 15.6115 15.6115 16.0906 16.0906 17.0605 17.0605 k = 0.2542 0.4404-0.0000 ( 2705 PWs) bands (ev): -48.9537 -48.9537 -48.9481 -48.9481 -23.3530 -23.3530 -23.3231 -23.3231 -15.8916 -15.8916 -15.7697 -15.7697 -15.6799 -15.6799 -15.5789 -15.5789 -0.8638 -0.8638 -0.4960 -0.4960 0.7910 0.7910 7.4601 7.4601 7.8908 7.8908 8.3046 8.3046 8.6487 8.6487 9.4029 9.4029 9.7468 9.7468 10.1685 10.1685 11.0324 11.0324 11.5054 11.5054 13.6982 13.6982 15.6513 15.6513 16.1593 16.1593 17.0217 17.0217 k = 0.2486 0.4306-0.0000 ( 2705 PWs) bands (ev): -48.9541 -48.9541 -48.9481 -48.9481 -23.3524 -23.3524 -23.3216 -23.3216 -15.8868 -15.8868 -15.7695 -15.7695 -15.6778 -15.6778 -15.5753 -15.5753 -0.8898 -0.8898 -0.5162 -0.5162 0.7836 0.7836 7.4083 7.4083 7.8708 7.8708 8.3330 8.3330 8.6911 8.6911 9.4280 9.4280 9.7756 9.7756 10.1288 10.1288 11.0339 11.0339 11.5123 11.5123 13.7698 13.7698 15.6949 15.6949 16.2303 16.2303 16.9853 16.9853 k = 0.2429 0.4208-0.0000 ( 2695 PWs) bands (ev): -48.9545 -48.9545 -48.9480 -48.9480 -23.3516 -23.3516 -23.3199 -23.3199 -15.8815 -15.8815 -15.7688 -15.7688 -15.6756 -15.6756 -15.5715 -15.5715 -0.9182 -0.9182 -0.5373 -0.5373 0.7765 0.7765 7.3594 7.3594 7.8499 7.8499 8.3675 8.3675 8.7336 8.7336 9.4449 9.4449 9.7988 9.7988 10.0909 10.0909 11.0333 11.0333 11.5255 11.5255 13.8447 13.8447 15.7423 15.7423 16.3020 16.3020 16.9523 16.9523 k = 0.2373 0.4110-0.0000 ( 2695 PWs) bands (ev): -48.9549 -48.9549 -48.9480 -48.9480 -23.3510 -23.3510 -23.3182 -23.3182 -15.8761 -15.8761 -15.7679 -15.7679 -15.6734 -15.6734 -15.5677 -15.5677 -0.9490 -0.9490 -0.5593 -0.5593 0.7695 0.7695 7.3133 7.3133 7.8288 7.8288 8.4076 8.4076 8.7762 8.7762 9.4540 9.4540 9.8151 9.8151 10.0550 10.0550 11.0316 11.0316 11.5449 11.5449 13.9221 13.9221 15.7937 15.7937 16.3722 16.3722 16.9242 16.9242 k = 0.2316 0.4012-0.0000 ( 2691 PWs) bands (ev): -48.9553 -48.9553 -48.9480 -48.9480 -23.3503 -23.3503 -23.3164 -23.3164 -15.8704 -15.8704 -15.7665 -15.7665 -15.6711 -15.6711 -15.5639 -15.5639 -0.9823 -0.9823 -0.5822 -0.5822 0.7630 0.7630 7.2704 7.2704 7.8079 7.8079 8.4526 8.4526 8.8185 8.8185 9.4557 9.4557 9.8233 9.8233 10.0215 10.0215 11.0300 11.0300 11.5702 11.5702 14.0012 14.0012 15.8491 15.8491 16.4372 16.4372 16.9036 16.9036 k = 0.2260 0.3914-0.0000 ( 2687 PWs) bands (ev): -48.9557 -48.9557 -48.9480 -48.9480 -23.3495 -23.3495 -23.3145 -23.3145 -15.8645 -15.8645 -15.7647 -15.7647 -15.6687 -15.6687 -15.5600 -15.5600 -1.0179 -1.0179 -0.6058 -0.6058 0.7567 0.7567 7.2306 7.2306 7.7877 7.7877 8.5019 8.5019 8.8604 8.8604 9.4506 9.4506 9.8229 9.8229 9.9905 9.9905 11.0292 11.0292 11.6013 11.6013 14.0813 14.0813 15.9085 15.9085 16.4918 16.4918 16.8946 16.8946 k = 0.2203 0.3816-0.0000 ( 2687 PWs) bands (ev): -48.9562 -48.9562 -48.9480 -48.9480 -23.3487 -23.3487 -23.3125 -23.3125 -15.8585 -15.8585 -15.7624 -15.7624 -15.6663 -15.6663 -15.5562 -15.5562 -1.0557 -1.0557 -0.6302 -0.6302 0.7509 0.7509 7.1942 7.1942 7.7685 7.7685 8.5549 8.5549 8.9014 8.9014 9.4395 9.4395 9.8142 9.8142 9.9615 9.9615 11.0299 11.0299 11.6376 11.6376 14.1614 14.1614 15.9717 15.9717 16.5299 16.5299 16.9018 16.9018 k = 0.2147 0.3719-0.0000 ( 2685 PWs) bands (ev): -48.9566 -48.9566 -48.9480 -48.9480 -23.3479 -23.3479 -23.3103 -23.3103 -15.8523 -15.8523 -15.7597 -15.7597 -15.6638 -15.6638 -15.5524 -15.5524 -1.0957 -1.0957 -0.6552 -0.6552 0.7455 0.7455 7.1611 7.1611 7.7505 7.7505 8.6110 8.6110 8.9411 8.9411 9.4232 9.4232 9.7985 9.7985 9.9337 9.9337 11.0324 11.0324 11.6786 11.6786 14.2407 14.2407 16.0386 16.0386 16.5479 16.5479 16.9266 16.9266 k = 0.2090 0.3621-0.0000 ( 2689 PWs) bands (ev): -48.9570 -48.9570 -48.9481 -48.9481 -23.3471 -23.3471 -23.3082 -23.3082 -15.8461 -15.8461 -15.7566 -15.7566 -15.6612 -15.6612 -15.5486 -15.5486 -1.1376 -1.1376 -0.6810 -0.6810 0.7406 0.7406 7.1315 7.1315 7.7340 7.7340 8.6694 8.6694 8.9789 8.9789 9.4026 9.4026 9.7776 9.7776 9.9065 9.9065 11.0365 11.0365 11.7239 11.7239 14.3183 14.3183 16.1083 16.1083 16.5483 16.5483 16.9638 16.9638 k = 0.2034 0.3523-0.0000 ( 2697 PWs) bands (ev): -48.9575 -48.9575 -48.9481 -48.9481 -23.3463 -23.3463 -23.3061 -23.3061 -15.8399 -15.8399 -15.7531 -15.7531 -15.6584 -15.6584 -15.5449 -15.5449 -1.1813 -1.1813 -0.7075 -0.7075 0.7361 0.7361 7.1054 7.1054 7.7192 7.7192 8.7292 8.7292 9.0141 9.0141 9.3785 9.3785 9.7533 9.7533 9.8795 9.8795 11.0421 11.0421 11.7727 11.7727 14.3934 14.3934 16.1800 16.1800 16.5372 16.5372 17.0038 17.0038 k = 0.1977 0.3425-0.0000 ( 2697 PWs) bands (ev): -48.9580 -48.9580 -48.9482 -48.9482 -23.3453 -23.3453 -23.3038 -23.3038 -15.8336 -15.8336 -15.7490 -15.7490 -15.6554 -15.6554 -15.5413 -15.5413 -1.2265 -1.2265 -0.7347 -0.7347 0.7321 0.7321 7.0829 7.0829 7.7061 7.7061 8.7890 8.7890 9.0458 9.0458 9.3523 9.3523 9.7270 9.7270 9.8536 9.8536 11.0490 11.0490 11.8243 11.8243 14.4653 14.4653 16.2519 16.2519 16.5203 16.5203 17.0361 17.0361 k = 0.1921 0.3327-0.0000 ( 2697 PWs) bands (ev): -48.9584 -48.9584 -48.9483 -48.9483 -23.3444 -23.3444 -23.3014 -23.3014 -15.8274 -15.8274 -15.7445 -15.7445 -15.6522 -15.6522 -15.5377 -15.5377 -1.2732 -1.2732 -0.7625 -0.7625 0.7285 0.7285 7.0641 7.0641 7.6948 7.6948 8.8469 8.8469 9.0731 9.0731 9.3253 9.3253 9.6999 9.6999 9.8301 9.8301 11.0570 11.0570 11.8781 11.8781 14.5333 14.5333 16.3202 16.3202 16.5033 16.5033 17.0499 17.0499 k = 0.1864 0.3229-0.0000 ( 2697 PWs) bands (ev): -48.9589 -48.9589 -48.9483 -48.9483 -23.3433 -23.3433 -23.2990 -23.2990 -15.8214 -15.8214 -15.7395 -15.7395 -15.6488 -15.6488 -15.5341 -15.5341 -1.3211 -1.3211 -0.7909 -0.7909 0.7254 0.7254 7.0490 7.0490 7.6854 7.6854 8.9000 8.9000 9.0947 9.0947 9.2992 9.2992 9.6731 9.6731 9.8111 9.8111 11.0660 11.0660 11.9331 11.9331 14.5970 14.5970 16.3746 16.3746 16.4964 16.4964 17.0393 17.0393 k = 0.1808 0.3131-0.0000 ( 2697 PWs) bands (ev): -48.9594 -48.9594 -48.9484 -48.9484 -23.3423 -23.3423 -23.2965 -23.2965 -15.8156 -15.8156 -15.7341 -15.7341 -15.6451 -15.6451 -15.5307 -15.5307 -1.3701 -1.3701 -0.8199 -0.8199 0.7227 0.7227 7.0375 7.0375 7.6781 7.6781 8.9434 8.9434 9.1104 9.1104 9.2764 9.2764 9.6483 9.6483 9.7988 9.7988 11.0760 11.0760 11.9887 11.9887 14.6559 14.6559 16.3932 16.3932 16.5199 16.5199 17.0104 17.0104 k = 0.1751 0.3034-0.0000 ( 2701 PWs) bands (ev): -48.9599 -48.9599 -48.9485 -48.9485 -23.3413 -23.3413 -23.2941 -23.2941 -15.8100 -15.8100 -15.7282 -15.7282 -15.6412 -15.6412 -15.5273 -15.5273 -1.4198 -1.4198 -0.8494 -0.8494 0.7203 0.7203 7.0298 7.0298 7.6727 7.6727 8.9706 8.9706 9.1202 9.1202 9.2596 9.2596 9.6270 9.6270 9.7958 9.7958 11.0871 11.0871 12.0440 12.0440 14.7099 14.7099 16.3807 16.3807 16.5658 16.5658 16.9741 16.9741 k = 0.1695 0.2936-0.0000 ( 2701 PWs) bands (ev): -48.9604 -48.9604 -48.9486 -48.9486 -23.3402 -23.3402 -23.2916 -23.2916 -15.8047 -15.8047 -15.7219 -15.7219 -15.6369 -15.6369 -15.5241 -15.5241 -1.4702 -1.4702 -0.8794 -0.8794 0.7184 0.7184 7.0258 7.0258 7.6694 7.6694 8.9769 8.9769 9.1225 9.1225 9.2522 9.2522 9.6107 9.6107 9.8045 9.8045 11.0995 11.0995 12.0984 12.0984 14.7587 14.7587 16.3575 16.3575 16.6083 16.6083 16.9391 16.9391 k = 0.1638 0.2838-0.0000 ( 2697 PWs) bands (ev): -48.9608 -48.9608 -48.9487 -48.9487 -23.3390 -23.3390 -23.2890 -23.2890 -15.7996 -15.7996 -15.7153 -15.7153 -15.6324 -15.6324 -15.5210 -15.5210 -1.5209 -1.5209 -0.9099 -0.9099 0.7168 0.7168 7.0256 7.0256 7.6681 7.6681 8.9639 8.9639 9.1126 9.1126 9.2548 9.2548 9.6000 9.6000 9.8270 9.8270 11.1136 11.1136 12.1511 12.1511 14.8024 14.8024 16.3302 16.3302 16.6323 16.6323 16.9137 16.9137 k = 0.1582 0.2740-0.0000 ( 2701 PWs) bands (ev): -48.9613 -48.9613 -48.9489 -48.9489 -23.3380 -23.3380 -23.2865 -23.2865 -15.7950 -15.7950 -15.7083 -15.7083 -15.6275 -15.6275 -15.5179 -15.5179 -1.5719 -1.5719 -0.9407 -0.9407 0.7155 0.7155 7.0291 7.0291 7.6689 7.6689 8.9375 8.9375 9.0892 9.0892 9.2625 9.2625 9.5945 9.5945 9.8643 9.8643 11.1296 11.1296 12.2017 12.2017 14.8409 14.8409 16.3003 16.3003 16.6283 16.6283 16.9036 16.9036 k = 0.1525 0.2642-0.0000 ( 2695 PWs) bands (ev): -48.9618 -48.9618 -48.9490 -48.9490 -23.3368 -23.3368 -23.2839 -23.2839 -15.7906 -15.7906 -15.7011 -15.7011 -15.6222 -15.6222 -15.5150 -15.5150 -1.6229 -1.6229 -0.9718 -0.9718 0.7145 0.7145 7.0363 7.0363 7.6717 7.6717 8.9031 8.9031 9.0553 9.0553 9.2689 9.2689 9.5926 9.5926 9.9160 9.9160 11.1479 11.1479 12.2496 12.2496 14.8743 14.8743 16.2678 16.2678 16.5971 16.5971 16.9051 16.9051 k = 0.1469 0.2544-0.0000 ( 2695 PWs) bands (ev): -48.9623 -48.9623 -48.9491 -48.9491 -23.3356 -23.3356 -23.2813 -23.2813 -15.7865 -15.7865 -15.6936 -15.6936 -15.6167 -15.6167 -15.5122 -15.5122 -1.6738 -1.6738 -1.0030 -1.0030 0.7138 0.7138 7.0472 7.0472 7.6765 7.6765 8.8638 8.8638 9.0144 9.0144 9.2709 9.2709 9.5926 9.5926 9.9806 9.9806 11.1689 11.1689 12.2944 12.2944 14.9028 14.9028 16.2324 16.2324 16.5469 16.5469 16.9083 16.9083 k = 0.1412 0.2446-0.0000 ( 2699 PWs) bands (ev): -48.9627 -48.9627 -48.9493 -48.9493 -23.3345 -23.3345 -23.2788 -23.2788 -15.7829 -15.7829 -15.6860 -15.6860 -15.6109 -15.6109 -15.5096 -15.5096 -1.7243 -1.7243 -1.0344 -1.0344 0.7133 0.7133 7.0617 7.0617 7.6833 7.6833 8.8216 8.8216 8.9688 8.9688 9.2683 9.2683 9.5925 9.5925 10.0560 10.0560 11.1929 11.1929 12.3358 12.3358 14.9265 14.9265 16.1934 16.1934 16.4846 16.4846 16.9076 16.9076 k = 0.1356 0.2349-0.0000 ( 2699 PWs) bands (ev): -48.9632 -48.9632 -48.9494 -48.9494 -23.3333 -23.3333 -23.2763 -23.2763 -15.7795 -15.7795 -15.6782 -15.6782 -15.6047 -15.6047 -15.5071 -15.5071 -1.7743 -1.7743 -1.0657 -1.0657 0.7129 0.7129 7.0799 7.0799 7.6920 7.6920 8.7778 8.7778 8.9203 8.9203 9.2618 9.2618 9.5907 9.5907 10.1398 10.1398 11.2203 11.2203 12.3737 12.3737 14.9456 14.9456 16.1502 16.1502 16.4140 16.4140 16.9036 16.9036 k = 0.1299 0.2251-0.0000 ( 2699 PWs) bands (ev): -48.9636 -48.9636 -48.9495 -48.9495 -23.3321 -23.3321 -23.2738 -23.2738 -15.7764 -15.7764 -15.6704 -15.6704 -15.5983 -15.5983 -15.5047 -15.5047 -1.8236 -1.8236 -1.0970 -1.0970 0.7127 0.7127 7.1015 7.1015 7.7024 7.7024 8.7332 8.7332 8.8702 8.8702 9.2526 9.2526 9.5861 9.5861 10.2302 10.2302 11.2512 11.2512 12.4078 12.4078 14.9603 14.9603 16.1021 16.1021 16.3373 16.3373 16.8990 16.8990 k = 0.1243 0.2153-0.0000 ( 2701 PWs) bands (ev): -48.9641 -48.9641 -48.9497 -48.9497 -23.3309 -23.3309 -23.2715 -23.2715 -15.7736 -15.7736 -15.6626 -15.6626 -15.5917 -15.5917 -15.5024 -15.5024 -1.8721 -1.8721 -1.1280 -1.1280 0.7127 0.7127 7.1267 7.1267 7.7147 7.7147 8.6882 8.6882 8.8194 8.8194 9.2414 9.2414 9.5777 9.5777 10.3257 10.3257 11.2856 11.2856 12.4383 12.4383 14.9709 14.9709 16.0486 16.0486 16.2563 16.2563 16.8964 16.8964 k = 0.1186 0.2055-0.0000 ( 2705 PWs) bands (ev): -48.9645 -48.9645 -48.9498 -48.9498 -23.3298 -23.3298 -23.2691 -23.2691 -15.7711 -15.7711 -15.6548 -15.6548 -15.5849 -15.5849 -15.5003 -15.5003 -1.9196 -1.9196 -1.1587 -1.1587 0.7128 0.7128 7.1552 7.1552 7.7285 7.7285 8.6434 8.6434 8.7687 8.7687 9.2290 9.2290 9.5650 9.5650 10.4251 10.4251 11.3237 11.3237 12.4652 12.4652 14.9774 14.9774 15.9893 15.9893 16.1725 16.1725 16.8973 16.8973 k = 0.1130 0.1957-0.0000 ( 2719 PWs) bands (ev): -48.9650 -48.9650 -48.9500 -48.9500 -23.3289 -23.3289 -23.2668 -23.2668 -15.7690 -15.7690 -15.6471 -15.6471 -15.5780 -15.5780 -15.4983 -15.4983 -1.9660 -1.9660 -1.1890 -1.1890 0.7129 0.7129 7.1871 7.1871 7.7439 7.7439 8.5991 8.5991 8.7187 8.7187 9.2158 9.2158 9.5476 9.5476 10.5275 10.5275 11.3652 11.3652 12.4887 12.4887 14.9800 14.9800 15.9239 15.9239 16.0876 16.0876 16.9020 16.9020 k = 0.1073 0.1859-0.0000 ( 2727 PWs) bands (ev): -48.9654 -48.9654 -48.9501 -48.9501 -23.3279 -23.3279 -23.2646 -23.2646 -15.7671 -15.7671 -15.6396 -15.6396 -15.5710 -15.5710 -15.4965 -15.4965 -2.0111 -2.0111 -1.2187 -1.2187 0.7131 0.7131 7.2222 7.2222 7.7607 7.7607 8.5555 8.5555 8.6698 8.6698 9.2022 9.2022 9.5254 9.5254 10.6320 10.6320 11.4100 11.4100 12.5089 12.5089 14.9790 14.9790 15.8522 15.8522 16.0034 16.0034 16.9100 16.9100 k = 0.1017 0.1761-0.0000 ( 2723 PWs) bands (ev): -48.9658 -48.9658 -48.9503 -48.9503 -23.3267 -23.3267 -23.2624 -23.2624 -15.7652 -15.7652 -15.6320 -15.6320 -15.5638 -15.5638 -15.4948 -15.4948 -2.0547 -2.0547 -1.2478 -1.2478 0.7134 0.7134 7.2604 7.2604 7.7788 7.7788 8.5130 8.5130 8.6223 8.6223 9.1884 9.1884 9.4985 9.4985 10.7380 10.7380 11.4577 11.4577 12.5264 12.5264 14.9743 14.9743 15.7748 15.7748 15.9212 15.9212 16.9199 16.9199 k = 0.0960 0.1664-0.0000 ( 2727 PWs) bands (ev): -48.9662 -48.9662 -48.9504 -48.9504 -23.3257 -23.3257 -23.2603 -23.2603 -15.7636 -15.7636 -15.6247 -15.6247 -15.5567 -15.5567 -15.4933 -15.4933 -2.0967 -2.0967 -1.2760 -1.2760 0.7137 0.7137 7.3016 7.3016 7.7979 7.7979 8.4716 8.4716 8.5766 8.5766 9.1745 9.1745 9.4669 9.4669 10.8448 10.8448 11.5079 11.5079 12.5413 12.5413 14.9660 14.9660 15.6929 15.6929 15.8413 15.8413 16.9289 16.9289 k = 0.0904 0.1566-0.0000 ( 2723 PWs) bands (ev): -48.9665 -48.9665 -48.9505 -48.9505 -23.3246 -23.3246 -23.2582 -23.2582 -15.7622 -15.7622 -15.6175 -15.6175 -15.5496 -15.5496 -15.4919 -15.4919 -2.1371 -2.1371 -1.3034 -1.3034 0.7140 0.7140 7.3457 7.3457 7.8180 7.8180 8.4317 8.4317 8.5328 8.5328 9.1606 9.1606 9.4309 9.4309 10.9518 10.9518 11.5601 11.5601 12.5542 12.5542 14.9541 14.9541 15.6085 15.6085 15.7635 15.7635 16.9296 16.9296 k = 0.0847 0.1468-0.0000 ( 2727 PWs) bands (ev): -48.9669 -48.9669 -48.9507 -48.9507 -23.3236 -23.3236 -23.2563 -23.2563 -15.7609 -15.7609 -15.6106 -15.6106 -15.5427 -15.5427 -15.4906 -15.4906 -2.1756 -2.1756 -1.3297 -1.3297 0.7143 0.7143 7.3925 7.3925 7.8388 7.8388 8.3934 8.3934 8.4911 8.4911 9.1467 9.1467 9.3910 9.3910 11.0584 11.0584 11.6137 11.6137 12.5654 12.5654 14.9384 14.9384 15.5239 15.5239 15.6874 15.6874 16.9092 16.9092 k = 0.0791 0.1370-0.0000 ( 2727 PWs) bands (ev): -48.9672 -48.9672 -48.9508 -48.9508 -23.3227 -23.3227 -23.2544 -23.2544 -15.7598 -15.7598 -15.6039 -15.6039 -15.5359 -15.5359 -15.4895 -15.4895 -2.2122 -2.2122 -1.3550 -1.3550 0.7147 0.7147 7.4419 7.4419 7.8601 7.8601 8.3569 8.3569 8.4518 8.4518 9.1326 9.1326 9.3475 9.3475 11.1641 11.1641 11.6681 11.6681 12.5755 12.5755 14.9187 14.9187 15.4412 15.4412 15.6126 15.6126 16.8679 16.8679 k = 0.0734 0.1272-0.0000 ( 2723 PWs) bands (ev): -48.9675 -48.9675 -48.9509 -48.9509 -23.3217 -23.3217 -23.2526 -23.2526 -15.7588 -15.7588 -15.5974 -15.5974 -15.5293 -15.5293 -15.4885 -15.4885 -2.2468 -2.2468 -1.3790 -1.3790 0.7150 0.7150 7.4937 7.4937 7.8816 7.8816 8.3223 8.3223 8.4148 8.4148 9.1182 9.1182 9.3011 9.3011 11.2681 11.2681 11.7227 11.7227 12.5850 12.5850 14.8948 14.8948 15.3623 15.3623 15.5392 15.5392 16.8180 16.8180 k = 0.0678 0.1174-0.0000 ( 2713 PWs) bands (ev): -48.9678 -48.9678 -48.9510 -48.9510 -23.3207 -23.3207 -23.2508 -23.2508 -15.7579 -15.7579 -15.5912 -15.5912 -15.5229 -15.5229 -15.4876 -15.4876 -2.2792 -2.2792 -1.4016 -1.4016 0.7153 0.7153 7.5478 7.5478 7.9032 7.9032 8.2898 8.2898 8.3803 8.3803 9.1027 9.1027 9.2530 9.2530 11.3699 11.3699 11.7767 11.7767 12.5942 12.5942 14.8665 14.8665 15.2887 15.2887 15.4672 15.4672 16.7658 16.7658 k = 0.0621 0.1076-0.0000 ( 2709 PWs) bands (ev): -48.9681 -48.9681 -48.9511 -48.9511 -23.3199 -23.3199 -23.2493 -23.2493 -15.7571 -15.7571 -15.5853 -15.5853 -15.5170 -15.5170 -15.4869 -15.4869 -2.3094 -2.3094 -1.4229 -1.4229 0.7156 0.7156 7.6038 7.6038 7.9245 7.9245 8.2596 8.2596 8.3483 8.3483 9.0845 9.0845 9.2050 9.2050 11.4685 11.4685 11.8293 11.8293 12.6037 12.6037 14.8336 14.8336 15.2217 15.2217 15.3971 15.3971 16.7139 16.7139 k = 0.0565 0.0979-0.0000 ( 2707 PWs) bands (ev): -48.9684 -48.9684 -48.9512 -48.9512 -23.3191 -23.3191 -23.2478 -23.2478 -15.7565 -15.7565 -15.5798 -15.5798 -15.5114 -15.5114 -15.4863 -15.4863 -2.3373 -2.3373 -1.4426 -1.4426 0.7158 0.7158 7.6616 7.6616 7.9454 7.9454 8.2317 8.2317 8.3189 8.3189 9.0604 9.0604 9.1612 9.1612 11.5631 11.5631 11.8799 11.8799 12.6138 12.6138 14.7965 14.7965 15.1619 15.1619 15.3296 15.3296 16.6636 16.6636 k = 0.0508 0.0881-0.0000 ( 2703 PWs) bands (ev): -48.9686 -48.9686 -48.9513 -48.9513 -23.3183 -23.3183 -23.2465 -23.2465 -15.7559 -15.7559 -15.5747 -15.5747 -15.5062 -15.5062 -15.4859 -15.4859 -2.3627 -2.3627 -1.4607 -1.4607 0.7160 0.7160 7.7208 7.7208 7.9654 7.9654 8.2064 8.2064 8.2921 8.2921 9.0251 9.0251 9.1270 9.1270 11.6529 11.6529 11.9277 11.9277 12.6249 12.6249 14.7560 14.7560 15.1093 15.1093 15.2652 15.2652 16.6156 16.6156 k = 0.0452 0.0783-0.0000 ( 2695 PWs) bands (ev): -48.9688 -48.9688 -48.9514 -48.9514 -23.3176 -23.3176 -23.2453 -23.2453 -15.7553 -15.7553 -15.5699 -15.5699 -15.5015 -15.5015 -15.4855 -15.4855 -2.3857 -2.3857 -1.4772 -1.4772 0.7162 0.7162 7.7811 7.7811 7.9843 7.9843 8.1838 8.1838 8.2679 8.2679 8.9778 8.9778 9.1040 9.1040 11.7365 11.7365 11.9723 11.9723 12.6371 12.6371 14.7135 14.7135 15.0635 15.0635 15.2049 15.2049 16.5707 16.5707 k = 0.0395 0.0685-0.0000 ( 2699 PWs) bands (ev): -48.9690 -48.9690 -48.9514 -48.9514 -23.3170 -23.3170 -23.2443 -23.2443 -15.7550 -15.7550 -15.5657 -15.5657 -15.4973 -15.4973 -15.4853 -15.4853 -2.4062 -2.4062 -1.4918 -1.4918 0.7164 0.7164 7.8418 7.8418 8.0018 8.0018 8.1642 8.1642 8.2464 8.2464 8.9229 8.9229 9.0884 9.0884 11.8129 11.8129 12.0133 12.0133 12.6503 12.6503 14.6708 14.6708 15.0234 15.0234 15.1497 15.1497 16.5295 16.5295 k = 0.0339 0.0587-0.0000 ( 2699 PWs) bands (ev): -48.9692 -48.9692 -48.9515 -48.9515 -23.3165 -23.3165 -23.2434 -23.2434 -15.7546 -15.7546 -15.5620 -15.5620 -15.4936 -15.4936 -15.4851 -15.4851 -2.4240 -2.4240 -1.5047 -1.5047 0.7166 0.7166 7.9022 7.9022 8.0177 8.0177 8.1477 8.1477 8.2274 8.2274 8.8646 8.8646 9.0769 9.0769 11.8806 11.8806 12.0505 12.0505 12.6642 12.6642 14.6298 14.6298 14.9881 14.9881 15.1007 15.1007 16.4926 16.4926 k = 0.0282 0.0489-0.0000 ( 2707 PWs) bands (ev): -48.9693 -48.9693 -48.9516 -48.9516 -23.3162 -23.3162 -23.2427 -23.2427 -15.7544 -15.7544 -15.5588 -15.5588 -15.4906 -15.4906 -15.4849 -15.4849 -2.4392 -2.4392 -1.5157 -1.5157 0.7167 0.7167 7.9604 7.9604 8.0325 8.0325 8.1346 8.1346 8.2112 8.2112 8.8055 8.8055 9.0679 9.0679 11.9380 11.9380 12.0841 12.0841 12.6783 12.6783 14.5920 14.5920 14.9568 14.9568 15.0588 15.0588 16.4605 16.4605 k = 0.0226 0.0391-0.0000 ( 2703 PWs) bands (ev): -48.9694 -48.9694 -48.9516 -48.9516 -23.3158 -23.3158 -23.2420 -23.2420 -15.7542 -15.7542 -15.5561 -15.5561 -15.4881 -15.4881 -15.4846 -15.4846 -2.4516 -2.4516 -1.5247 -1.5247 0.7168 0.7168 8.0103 8.0103 8.0503 8.0503 8.1253 8.1253 8.1976 8.1976 8.7477 8.7477 9.0608 9.0608 11.9841 11.9841 12.1142 12.1142 12.6918 12.6918 14.5591 14.5591 14.9294 14.9294 15.0248 15.0248 16.4336 16.4336 k = 0.0169 0.0294-0.0000 ( 2703 PWs) bands (ev): -48.9695 -48.9695 -48.9516 -48.9516 -23.3155 -23.3155 -23.2415 -23.2415 -15.7540 -15.7540 -15.5539 -15.5539 -15.4866 -15.4866 -15.4841 -15.4841 -2.4614 -2.4614 -1.5318 -1.5318 0.7169 0.7169 8.0347 8.0347 8.0856 8.0856 8.1200 8.1200 8.1869 8.1869 8.6939 8.6939 9.0555 9.0555 12.0184 12.0184 12.1401 12.1401 12.7036 12.7036 14.5322 14.5322 14.9065 14.9065 14.9989 14.9989 16.4122 16.4122 k = 0.0113 0.0196-0.0000 ( 2701 PWs) bands (ev): -48.9696 -48.9696 -48.9517 -48.9517 -23.3153 -23.3153 -23.2411 -23.2411 -15.7539 -15.7539 -15.5523 -15.5523 -15.4859 -15.4859 -15.4833 -15.4833 -2.4684 -2.4684 -1.5369 -1.5369 0.7169 0.7169 8.0423 8.0423 8.1151 8.1151 8.1286 8.1286 8.1799 8.1799 8.6479 8.6479 9.0516 9.0516 12.0416 12.0416 12.1605 12.1605 12.7129 12.7129 14.5123 14.5123 14.8890 14.8890 14.9808 14.9808 16.3968 16.3968 k = 0.0056 0.0098-0.0000 ( 2697 PWs) bands (ev): -48.9696 -48.9696 -48.9517 -48.9517 -23.3152 -23.3152 -23.2408 -23.2408 -15.7538 -15.7538 -15.5514 -15.5514 -15.4857 -15.4857 -15.4825 -15.4825 -2.4726 -2.4726 -1.5399 -1.5399 0.7170 0.7170 8.0451 8.0451 8.1156 8.1156 8.1541 8.1541 8.1791 8.1791 8.6156 8.6156 9.0493 9.0493 12.0548 12.0548 12.1737 12.1737 12.7189 12.7189 14.5000 14.5000 14.8779 14.8779 14.9702 14.9702 16.3874 16.3874 k = 0.0000 0.0000 0.0000 ( 2697 PWs) bands (ev): -48.9696 -48.9696 -48.9517 -48.9517 -23.3152 -23.3152 -23.2408 -23.2408 -15.7538 -15.7538 -15.5511 -15.5511 -15.4856 -15.4856 -15.4823 -15.4823 -2.4740 -2.4740 -1.5409 -1.5409 0.7170 0.7170 8.0458 8.0458 8.1157 8.1157 8.1602 8.1602 8.1827 8.1827 8.6036 8.6036 9.0486 9.0486 12.0591 12.0591 12.1782 12.1782 12.7209 12.7209 14.4959 14.4959 14.8742 14.8742 14.9666 14.9666 16.3843 16.3843 k = 0.0000 0.0000 0.0000 ( 2697 PWs) bands (ev): -48.9696 -48.9696 -48.9517 -48.9517 -23.3152 -23.3152 -23.2408 -23.2408 -15.7538 -15.7538 -15.5511 -15.5511 -15.4856 -15.4856 -15.4823 -15.4823 -2.4740 -2.4740 -1.5409 -1.5409 0.7170 0.7170 8.0458 8.0458 8.1157 8.1157 8.1602 8.1602 8.1827 8.1827 8.6036 8.6036 9.0486 9.0486 12.0591 12.0591 12.1782 12.1782 12.7209 12.7209 14.4959 14.4959 14.8742 14.8742 14.9666 14.9666 16.3843 16.3843 k = 0.0000 0.0000 0.0112 ( 2697 PWs) bands (ev): -48.9696 -48.9696 -48.9517 -48.9517 -23.3152 -23.3152 -23.2408 -23.2408 -15.7537 -15.7537 -15.5511 -15.5511 -15.4857 -15.4857 -15.4823 -15.4823 -2.4730 -2.4730 -1.5418 -1.5418 0.7166 0.7166 8.0454 8.0454 8.1133 8.1133 8.1622 8.1622 8.1829 8.1829 8.6002 8.6002 9.0546 9.0546 12.0597 12.0597 12.1790 12.1790 12.7163 12.7163 14.4979 14.4979 14.8759 14.8759 14.9682 14.9682 16.3897 16.3897 k = 0.0000 0.0000 0.0224 ( 2697 PWs) bands (ev): -48.9696 -48.9696 -48.9517 -48.9517 -23.3151 -23.3151 -23.2408 -23.2408 -15.7535 -15.7535 -15.5511 -15.5511 -15.4860 -15.4860 -15.4823 -15.4823 -2.4703 -2.4703 -1.5443 -1.5443 0.7153 0.7153 8.0442 8.0442 8.1072 8.1072 8.1672 8.1672 8.1835 8.1835 8.5904 8.5904 9.0722 9.0722 12.0617 12.0617 12.1812 12.1812 12.7024 12.7024 14.5041 14.5041 14.8809 14.8809 14.9728 14.9728 16.4060 16.4060 k = 0.0000 0.0000 0.0335 ( 2703 PWs) bands (ev): -48.9696 -48.9696 -48.9517 -48.9517 -23.3150 -23.3150 -23.2410 -23.2410 -15.7531 -15.7531 -15.5510 -15.5510 -15.4864 -15.4864 -15.4824 -15.4824 -2.4658 -2.4658 -1.5486 -1.5486 0.7133 0.7133 8.0423 8.0423 8.0988 8.0988 8.1737 8.1737 8.1845 8.1845 8.5756 8.5756 9.0999 9.0999 12.0649 12.0649 12.1849 12.1849 12.6796 12.6796 14.5143 14.5143 14.8893 14.8893 14.9805 14.9805 16.4327 16.4327 k = 0.0000 0.0000 0.0447 ( 2697 PWs) bands (ev): -48.9696 -48.9696 -48.9517 -48.9517 -23.3149 -23.3149 -23.2410 -23.2410 -15.7526 -15.7526 -15.5510 -15.5510 -15.4869 -15.4869 -15.4825 -15.4825 -2.4594 -2.4594 -1.5545 -1.5545 0.7105 0.7105 8.0397 8.0397 8.0892 8.0892 8.1807 8.1807 8.1858 8.1858 8.5574 8.5574 9.1360 9.1360 12.0693 12.0693 12.1899 12.1899 12.6483 12.6483 14.5286 14.5286 14.9010 14.9010 14.9913 14.9913 16.4694 16.4694 k = 0.0000 0.0000 0.0559 ( 2697 PWs) bands (ev): -48.9696 -48.9696 -48.9517 -48.9517 -23.3148 -23.3148 -23.2411 -23.2411 -15.7519 -15.7519 -15.5510 -15.5510 -15.4876 -15.4876 -15.4825 -15.4825 -2.4513 -2.4513 -1.5621 -1.5621 0.7070 0.7070 8.0365 8.0365 8.0788 8.0788 8.1874 8.1874 8.1878 8.1878 8.5372 8.5372 9.1791 9.1791 12.0749 12.0749 12.1964 12.1964 12.6090 12.6090 14.5469 14.5469 14.9162 14.9162 15.0052 15.0052 16.5155 16.5155 k = 0.0000 0.0000 0.0671 ( 2697 PWs) bands (ev): -48.9696 -48.9696 -48.9517 -48.9517 -23.3147 -23.3147 -23.2412 -23.2412 -15.7511 -15.7511 -15.5509 -15.5509 -15.4885 -15.4885 -15.4826 -15.4826 -2.4415 -2.4415 -1.5714 -1.5714 0.7029 0.7029 8.0327 8.0327 8.0680 8.0680 8.1891 8.1891 8.1948 8.1948 8.5161 8.5161 9.2279 9.2279 12.0816 12.0816 12.2040 12.2040 12.5625 12.5625 14.5690 14.5690 14.9347 14.9347 15.0221 15.0221 16.5702 16.5702 k = 0.0000 0.0000 0.0782 ( 2703 PWs) bands (ev): -48.9696 -48.9696 -48.9517 -48.9517 -23.3146 -23.3146 -23.2415 -23.2415 -15.7502 -15.7502 -15.5509 -15.5509 -15.4896 -15.4896 -15.4826 -15.4826 -2.4299 -2.4299 -1.5822 -1.5822 0.6982 0.6982 8.0286 8.0286 8.0570 8.0570 8.1910 8.1910 8.2016 8.2016 8.4948 8.4948 9.2815 9.2815 12.0892 12.0892 12.2128 12.2128 12.5095 12.5095 14.5951 14.5951 14.9566 14.9566 15.0420 15.0420 16.6325 16.6325 k = 0.0000 0.0000 0.0894 ( 2715 PWs) bands (ev): -48.9696 -48.9696 -48.9518 -48.9518 -23.3146 -23.3146 -23.2417 -23.2417 -15.7494 -15.7494 -15.5509 -15.5509 -15.4909 -15.4909 -15.4827 -15.4827 -2.4168 -2.4168 -1.5947 -1.5947 0.6929 0.6929 8.0242 8.0242 8.0458 8.0458 8.1930 8.1930 8.2080 8.2080 8.4739 8.4739 9.3391 9.3391 12.0975 12.0975 12.2226 12.2226 12.4506 12.4506 14.6248 14.6248 14.9819 14.9819 15.0649 15.0649 16.7008 16.7008 k = 0.0000 0.0000 0.1006 ( 2709 PWs) bands (ev): -48.9695 -48.9695 -48.9518 -48.9518 -23.3142 -23.3142 -23.2419 -23.2419 -15.7481 -15.7481 -15.5508 -15.5508 -15.4921 -15.4921 -15.4828 -15.4828 -2.4020 -2.4020 -1.6087 -1.6087 0.6873 0.6873 8.0195 8.0195 8.0347 8.0347 8.1949 8.1949 8.2140 8.2140 8.4538 8.4538 9.4003 9.4003 12.1064 12.1064 12.2333 12.2333 12.3869 12.3869 14.6583 14.6583 15.0106 15.0106 15.0909 15.0909 16.7699 16.7699 k = 0.0000 0.0000 0.1118 ( 2703 PWs) bands (ev): -48.9695 -48.9695 -48.9518 -48.9518 -23.3140 -23.3140 -23.2420 -23.2420 -15.7468 -15.7468 -15.5507 -15.5507 -15.4934 -15.4934 -15.4829 -15.4829 -2.3856 -2.3856 -1.6242 -1.6242 0.6814 0.6814 8.0148 8.0148 8.0236 8.0236 8.1969 8.1969 8.2197 8.2197 8.4346 8.4346 9.4645 9.4645 12.1154 12.1154 12.2447 12.2447 12.3193 12.3193 14.6953 14.6953 15.0429 15.0429 15.1198 15.1198 16.7618 16.7618 k = 0.0000 0.0000 0.1230 ( 2703 PWs) bands (ev): -48.9695 -48.9695 -48.9518 -48.9518 -23.3138 -23.3138 -23.2423 -23.2423 -15.7456 -15.7456 -15.5506 -15.5506 -15.4948 -15.4948 -15.4829 -15.4829 -2.3678 -2.3678 -1.6412 -1.6412 0.6753 0.6753 8.0099 8.0099 8.0128 8.0128 8.1988 8.1988 8.2251 8.2251 8.4165 8.4165 9.5314 9.5314 12.1233 12.1233 12.2496 12.2496 12.2566 12.2566 14.7357 14.7357 15.0786 15.0786 15.1516 15.1516 16.6965 16.6965 k = 0.0000 0.0000 0.1341 ( 2715 PWs) bands (ev): -48.9695 -48.9695 -48.9518 -48.9518 -23.3137 -23.3137 -23.2426 -23.2426 -15.7443 -15.7443 -15.5507 -15.5507 -15.4963 -15.4963 -15.4831 -15.4831 -2.3486 -2.3486 -1.6596 -1.6596 0.6691 0.6691 8.0023 8.0023 8.0051 8.0051 8.2006 8.2006 8.2301 8.2301 8.3995 8.3995 9.6005 9.6005 12.1229 12.1229 12.1855 12.1855 12.2688 12.2688 14.7794 14.7794 15.1177 15.1177 15.1864 15.1864 16.6256 16.6256 k = 0.0000 0.0000 0.1453 ( 2715 PWs) bands (ev): -48.9695 -48.9695 -48.9519 -48.9519 -23.3135 -23.3135 -23.2428 -23.2428 -15.7430 -15.7430 -15.5506 -15.5506 -15.4978 -15.4978 -15.4832 -15.4832 -2.3281 -2.3281 -1.6794 -1.6794 0.6628 0.6628 7.9922 7.9922 8.0004 8.0004 8.2023 8.2023 8.2347 8.2347 8.3837 8.3837 9.6714 9.6714 12.0786 12.0786 12.1630 12.1630 12.2813 12.2813 14.8263 14.8263 15.1604 15.1604 15.2241 15.2241 16.5519 16.5519 k = 0.0000 0.0000 0.1565 ( 2709 PWs) bands (ev): -48.9695 -48.9695 -48.9519 -48.9519 -23.3132 -23.3132 -23.2430 -23.2430 -15.7415 -15.7415 -15.5505 -15.5505 -15.4993 -15.4993 -15.4833 -15.4833 -2.3063 -2.3063 -1.7003 -1.7003 0.6567 0.6567 7.9826 7.9826 7.9958 7.9958 8.2038 8.2038 8.2391 8.2391 8.3691 8.3691 9.7439 9.7439 12.0050 12.0050 12.1682 12.1682 12.2937 12.2937 14.8761 14.8761 15.2066 15.2066 15.2647 15.2647 16.4761 16.4761 k = 0.0000 0.0000 0.1677 ( 2709 PWs) bands (ev): -48.9695 -48.9695 -48.9519 -48.9519 -23.3129 -23.3129 -23.2433 -23.2433 -15.7402 -15.7402 -15.5504 -15.5504 -15.5008 -15.5008 -15.4834 -15.4834 -2.2835 -2.2835 -1.7225 -1.7225 0.6507 0.6507 7.9736 7.9736 7.9914 7.9914 8.2053 8.2053 8.2431 8.2431 8.3557 8.3557 9.8172 9.8172 11.9265 11.9265 12.1772 12.1772 12.3059 12.3059 14.9288 14.9288 15.2562 15.2562 15.3080 15.3080 16.3989 16.3989 k = 0.0000 0.0000 0.1788 ( 2715 PWs) bands (ev): -48.9694 -48.9694 -48.9519 -48.9519 -23.3128 -23.3128 -23.2435 -23.2435 -15.7390 -15.7390 -15.5503 -15.5503 -15.5023 -15.5023 -15.4834 -15.4834 -2.2596 -2.2596 -1.7457 -1.7457 0.6450 0.6450 7.9652 7.9652 7.9873 7.9873 8.2066 8.2066 8.2469 8.2469 8.3434 8.3434 9.8911 9.8911 11.8467 11.8467 12.1869 12.1869 12.3177 12.3177 14.9840 14.9840 15.3090 15.3090 15.3541 15.3541 16.3212 16.3212 k = 0.0000 0.0000 0.1900 ( 2727 PWs) bands (ev): -48.9694 -48.9694 -48.9519 -48.9519 -23.3128 -23.3128 -23.2438 -23.2438 -15.7379 -15.7379 -15.5503 -15.5503 -15.5037 -15.5037 -15.4836 -15.4836 -2.2349 -2.2349 -1.7698 -1.7698 0.6397 0.6397 7.9575 7.9575 7.9835 7.9835 8.2077 8.2077 8.2504 8.2504 8.3322 8.3322 9.9646 9.9646 11.7671 11.7671 12.1963 12.1963 12.3288 12.3288 15.0416 15.0416 15.3649 15.3649 15.4030 15.4030 16.2433 16.2433 k = 0.0000 0.0000 0.2012 ( 2726 PWs) bands (ev): -48.9694 -48.9694 -48.9520 -48.9520 -23.3126 -23.3126 -23.2440 -23.2440 -15.7367 -15.7367 -15.5503 -15.5503 -15.5050 -15.5050 -15.4836 -15.4836 -2.2095 -2.2095 -1.7946 -1.7946 0.6348 0.6348 7.9506 7.9506 7.9801 7.9801 8.2087 8.2087 8.2538 8.2538 8.3222 8.3222 10.0371 10.0371 11.6890 11.6890 12.2052 12.2052 12.3392 12.3392 15.1014 15.1014 15.4232 15.4232 15.4544 15.4544 16.1663 16.1663 k = 0.0000 0.0000 0.2124 ( 2726 PWs) bands (ev): -48.9694 -48.9694 -48.9520 -48.9520 -23.3124 -23.3124 -23.2441 -23.2441 -15.7357 -15.7357 -15.5502 -15.5502 -15.5061 -15.5061 -15.4837 -15.4837 -2.1835 -2.1835 -1.8201 -1.8201 0.6304 0.6304 7.9445 7.9445 7.9770 7.9770 8.2096 8.2096 8.2570 8.2570 8.3132 8.3132 10.1073 10.1073 11.6137 11.6137 12.2133 12.2133 12.3485 12.3485 15.1632 15.1632 15.4830 15.4830 15.5083 15.5083 16.0911 16.0911 k = 0.0000 0.0000 0.2236 ( 2726 PWs) bands (ev): -48.9694 -48.9694 -48.9520 -48.9520 -23.3123 -23.3123 -23.2443 -23.2443 -15.7348 -15.7348 -15.5502 -15.5502 -15.5072 -15.5072 -15.4837 -15.4837 -2.1574 -2.1574 -1.8458 -1.8458 0.6266 0.6266 7.9393 7.9393 7.9744 7.9744 8.2103 8.2103 8.2601 8.2601 8.3052 8.3052 10.1739 10.1739 11.5426 11.5426 12.2205 12.2205 12.3568 12.3568 15.2266 15.2266 15.5422 15.5422 15.5645 15.5645 16.0197 16.0197 k = 0.0000 0.0000 0.2347 ( 2714 PWs) bands (ev): -48.9694 -48.9694 -48.9520 -48.9520 -23.3121 -23.3121 -23.2442 -23.2442 -15.7339 -15.7339 -15.5501 -15.5501 -15.5079 -15.5079 -15.4837 -15.4837 -2.1314 -2.1314 -1.8715 -1.8715 0.6234 0.6234 7.9350 7.9350 7.9722 7.9722 8.2109 8.2109 8.2632 8.2632 8.2981 8.2981 10.2348 10.2348 11.4779 11.4779 12.2266 12.2266 12.3637 12.3637 15.2915 15.2915 15.5964 15.5964 15.6225 15.6225 15.9558 15.9558 k = 0.0000 0.0000 0.2459 ( 2702 PWs) bands (ev): -48.9694 -48.9694 -48.9520 -48.9520 -23.3118 -23.3118 -23.2443 -23.2443 -15.7332 -15.7332 -15.5498 -15.5498 -15.5085 -15.5085 -15.4837 -15.4837 -2.1062 -2.1062 -1.8963 -1.8963 0.6209 0.6209 7.9316 7.9316 7.9704 7.9704 8.2113 8.2113 8.2663 8.2663 8.2918 8.2918 10.2875 10.2875 11.4222 11.4222 12.2314 12.2314 12.3692 12.3692 15.3573 15.3573 15.6351 15.6351 15.6815 15.6815 15.9085 15.9085 k = 0.0000 0.0000 0.2571 ( 2696 PWs) bands (ev): -48.9693 -48.9693 -48.9520 -48.9520 -23.3117 -23.3117 -23.2443 -23.2443 -15.7327 -15.7327 -15.5498 -15.5498 -15.5090 -15.5090 -15.4836 -15.4836 -2.0833 -2.0833 -1.9190 -1.9190 0.6190 0.6190 7.9291 7.9291 7.9692 7.9692 8.2116 8.2116 8.2696 8.2696 8.2863 8.2863 10.3289 10.3289 11.3786 11.3786 12.2350 12.2350 12.3733 12.3733 15.4235 15.4235 15.6403 15.6403 15.7396 15.7396 15.8923 15.8923 k = 0.0000 0.0000 0.2683 ( 2696 PWs) bands (ev): -48.9693 -48.9693 -48.9520 -48.9520 -23.3116 -23.3116 -23.2443 -23.2443 -15.7325 -15.7325 -15.5498 -15.5498 -15.5093 -15.5093 -15.4837 -15.4837 -2.0656 -2.0656 -1.9366 -1.9366 0.6179 0.6179 7.9277 7.9277 7.9684 7.9684 8.2118 8.2118 8.2731 8.2731 8.2814 8.2814 10.3556 10.3556 11.3506 11.3506 12.2371 12.2371 12.3757 12.3757 15.4888 15.4888 15.6077 15.6077 15.7905 15.7905 15.9044 15.9044 k = 0.0000 0.0000 0.2795 ( 2702 PWs) bands (ev): -48.9693 -48.9693 -48.9520 -48.9520 -23.3117 -23.3117 -23.2443 -23.2443 -15.7324 -15.7324 -15.5499 -15.5499 -15.5094 -15.5094 -15.4837 -15.4837 -2.0585 -2.0585 -1.9437 -1.9437 0.6176 0.6176 7.9272 7.9272 7.9682 7.9682 8.2119 8.2119 8.2763 8.2763 8.2779 8.2779 10.3649 10.3649 11.3409 11.3409 12.2378 12.2378 12.3765 12.3765 15.5424 15.5424 15.5625 15.5625 15.8146 15.8146 15.9145 15.9145 k = 0.0000 0.0000 0.2795 ( 2702 PWs) bands (ev): -48.9693 -48.9693 -48.9520 -48.9520 -23.3117 -23.3117 -23.2443 -23.2443 -15.7324 -15.7324 -15.5499 -15.5499 -15.5094 -15.5094 -15.4837 -15.4837 -2.0585 -2.0585 -1.9437 -1.9437 0.6176 0.6176 7.9272 7.9272 7.9682 7.9682 8.2119 8.2119 8.2763 8.2763 8.2779 8.2779 10.3649 10.3649 11.3409 11.3409 12.2378 12.2378 12.3765 12.3765 15.5424 15.5424 15.5625 15.5625 15.8146 15.8146 15.9145 15.9145 k = 0.0098 0.0057 0.2795 ( 2690 PWs) bands (ev): -48.9693 -48.9693 -48.9520 -48.9520 -23.3116 -23.3116 -23.2443 -23.2443 -15.7324 -15.7324 -15.5502 -15.5502 -15.5093 -15.5093 -15.4839 -15.4839 -2.0573 -2.0573 -1.9425 -1.9425 0.6175 0.6175 7.9276 7.9276 7.9688 7.9688 8.2073 8.2073 8.2644 8.2644 8.2924 8.2924 10.3689 10.3689 11.3356 11.3356 12.2363 12.2363 12.3745 12.3745 15.5344 15.5344 15.5654 15.5654 15.8031 15.8031 15.9328 15.9328 k = 0.0196 0.0113 0.2795 ( 2702 PWs) bands (ev): -48.9693 -48.9693 -48.9520 -48.9520 -23.3119 -23.3119 -23.2446 -23.2446 -15.7326 -15.7326 -15.5515 -15.5515 -15.5092 -15.5092 -15.4846 -15.4846 -2.0537 -2.0537 -1.9387 -1.9387 0.6173 0.6173 7.9287 7.9287 7.9709 7.9709 8.1923 8.1923 8.2593 8.2593 8.3070 8.3070 10.3807 10.3807 11.3198 11.3198 12.2317 12.2317 12.3687 12.3687 15.5175 15.5175 15.5663 15.5663 15.7839 15.7839 15.9732 15.9732 k = 0.0294 0.0170 0.2795 ( 2706 PWs) bands (ev): -48.9692 -48.9692 -48.9520 -48.9520 -23.3122 -23.3122 -23.2450 -23.2450 -15.7328 -15.7328 -15.5534 -15.5534 -15.5091 -15.5091 -15.4858 -15.4858 -2.0477 -2.0477 -1.9323 -1.9323 0.6170 0.6170 7.9302 7.9302 7.9744 7.9744 8.1682 8.1682 8.2621 8.2621 8.3197 8.3197 10.4000 10.4000 11.2936 11.2936 12.2240 12.2240 12.3591 12.3591 15.4967 15.4967 15.5602 15.5602 15.7714 15.7714 16.0222 16.0222 k = 0.0392 0.0226 0.2795 ( 2710 PWs) bands (ev): -48.9691 -48.9691 -48.9519 -48.9519 -23.3125 -23.3125 -23.2455 -23.2455 -15.7331 -15.7331 -15.5561 -15.5561 -15.5090 -15.5090 -15.4875 -15.4875 -2.0393 -2.0393 -1.9235 -1.9235 0.6166 0.6166 7.9314 7.9314 7.9797 7.9797 8.1386 8.1386 8.2702 8.2702 8.3302 8.3302 10.4262 10.4262 11.2574 11.2574 12.2135 12.2135 12.3459 12.3459 15.4731 15.4731 15.5464 15.5464 15.7706 15.7706 16.0718 16.0718 k = 0.0490 0.0283 0.2795 ( 2718 PWs) bands (ev): -48.9690 -48.9690 -48.9519 -48.9519 -23.3129 -23.3129 -23.2462 -23.2462 -15.7336 -15.7336 -15.5594 -15.5594 -15.5091 -15.5091 -15.4895 -15.4895 -2.0286 -2.0286 -1.9122 -1.9122 0.6161 0.6161 7.9316 7.9316 7.9864 7.9864 8.1067 8.1067 8.2822 8.2822 8.3387 8.3387 10.4588 10.4588 11.2117 11.2117 12.2002 12.2002 12.3295 12.3295 15.4472 15.4472 15.5274 15.5274 15.7814 15.7814 16.1148 16.1148 k = 0.0588 0.0340 0.2795 ( 2714 PWs) bands (ev): -48.9689 -48.9689 -48.9518 -48.9518 -23.3133 -23.3133 -23.2470 -23.2470 -15.7340 -15.7340 -15.5631 -15.5631 -15.5094 -15.5094 -15.4916 -15.4916 -2.0156 -2.0156 -1.8984 -1.8984 0.6154 0.6154 7.9292 7.9292 7.9932 7.9932 8.0763 8.0763 8.2971 8.2971 8.3458 8.3458 10.4969 10.4969 11.1569 11.1569 12.1843 12.1843 12.3100 12.3100 15.4189 15.4189 15.5067 15.5067 15.8019 15.8019 16.1581 16.1581 k = 0.0686 0.0396 0.2795 ( 2718 PWs) bands (ev): -48.9687 -48.9687 -48.9517 -48.9517 -23.3138 -23.3138 -23.2480 -23.2480 -15.7346 -15.7346 -15.5674 -15.5674 -15.5103 -15.5103 -15.4939 -15.4939 -2.0003 -2.0003 -1.8823 -1.8823 0.6147 0.6147 7.9216 7.9216 7.9956 7.9956 8.0555 8.0555 8.3135 8.3135 8.3527 8.3527 10.5396 10.5396 11.0939 11.0939 12.1660 12.1660 12.2879 12.2879 15.3881 15.3881 15.4873 15.4873 15.8302 15.8302 16.2038 16.2038 k = 0.0784 0.0453 0.2795 ( 2710 PWs) bands (ev): -48.9685 -48.9685 -48.9517 -48.9517 -23.3143 -23.3143 -23.2489 -23.2489 -15.7353 -15.7353 -15.5721 -15.5721 -15.5119 -15.5119 -15.4959 -15.4959 -1.9828 -1.9828 -1.8638 -1.8638 0.6138 0.6138 7.9036 7.9036 7.9899 7.9899 8.0535 8.0535 8.3285 8.3285 8.3625 8.3625 10.5860 10.5860 11.0234 11.0234 12.1454 12.1454 12.2633 12.2633 15.3551 15.3551 15.4705 15.4705 15.8651 15.8651 16.2519 16.2519 k = 0.0882 0.0509 0.2795 ( 2708 PWs) bands (ev): -48.9683 -48.9683 -48.9516 -48.9516 -23.3150 -23.3150 -23.2500 -23.2500 -15.7361 -15.7361 -15.5773 -15.5773 -15.5143 -15.5143 -15.4976 -15.4976 -1.9632 -1.9632 -1.8430 -1.8430 0.6129 0.6129 7.8731 7.8731 7.9841 7.9841 8.0652 8.0652 8.3378 8.3378 8.3798 8.3798 10.6350 10.6350 10.9464 10.9464 12.1227 12.1227 12.2366 12.2366 15.3204 15.3204 15.4569 15.4569 15.9057 15.9057 16.3023 16.3023 k = 0.0980 0.0566 0.2795 ( 2708 PWs) bands (ev): -48.9681 -48.9681 -48.9515 -48.9515 -23.3157 -23.3157 -23.2513 -23.2513 -15.7370 -15.7370 -15.5828 -15.5828 -15.5177 -15.5177 -15.4990 -15.4990 -1.9416 -1.9416 -1.8200 -1.8200 0.6118 0.6118 7.8336 7.8336 7.9827 7.9827 8.0826 8.0826 8.3417 8.3417 8.4044 8.4044 10.6848 10.6848 10.8648 10.8648 12.0981 12.0981 12.2081 12.2081 15.2846 15.2846 15.4466 15.4466 15.9513 15.9513 16.3549 16.3549 k = 0.1078 0.0623 0.2795 ( 2708 PWs) bands (ev): -48.9678 -48.9678 -48.9514 -48.9514 -23.3166 -23.3166 -23.2527 -23.2527 -15.7381 -15.7381 -15.5888 -15.5888 -15.5219 -15.5219 -15.5000 -15.5000 -1.9180 -1.9180 -1.7948 -1.7948 0.6107 0.6107 7.7894 7.7894 7.9847 7.9847 8.1029 8.1029 8.3432 8.3432 8.4338 8.4338 10.7246 10.7246 10.7894 10.7894 12.0718 12.0718 12.1780 12.1780 15.2483 15.2483 15.4393 15.4393 16.0016 16.0016 16.4093 16.4093 k = 0.1176 0.0679 0.2795 ( 2710 PWs) bands (ev): -48.9676 -48.9676 -48.9513 -48.9513 -23.3174 -23.3174 -23.2542 -23.2542 -15.7394 -15.7394 -15.5950 -15.5950 -15.5267 -15.5267 -15.5008 -15.5008 -1.8925 -1.8925 -1.7676 -1.7676 0.6096 0.6096 7.7431 7.7431 7.9888 7.9888 8.1247 8.1247 8.3440 8.3440 8.4667 8.4667 10.6714 10.6714 10.8034 10.8034 12.0438 12.0438 12.1465 12.1465 15.2117 15.2117 15.4350 15.4350 16.0559 16.0559 16.4653 16.4653 k = 0.1275 0.0736 0.2795 ( 2706 PWs) bands (ev): -48.9673 -48.9673 -48.9511 -48.9511 -23.3183 -23.3183 -23.2558 -23.2558 -15.7407 -15.7407 -15.6015 -15.6015 -15.5320 -15.5320 -15.5016 -15.5016 -1.8652 -1.8652 -1.7384 -1.7384 0.6083 0.6083 7.6959 7.6959 7.9946 7.9946 8.1468 8.1468 8.3457 8.3457 8.5025 8.5025 10.5786 10.5786 10.8531 10.8531 12.0143 12.0143 12.1141 12.1141 15.1751 15.1751 15.4335 15.4335 16.1139 16.1139 16.5221 16.5221 k = 0.1373 0.0792 0.2795 ( 2706 PWs) bands (ev): -48.9670 -48.9670 -48.9510 -48.9510 -23.3193 -23.3193 -23.2575 -23.2575 -15.7423 -15.7423 -15.6084 -15.6084 -15.5377 -15.5377 -15.5023 -15.5023 -1.8363 -1.8363 -1.7073 -1.7073 0.6071 0.6071 7.6486 7.6486 8.0019 8.0019 8.1675 8.1675 8.3495 8.3495 8.5412 8.5412 10.4808 10.4808 10.9043 10.9043 11.9836 11.9836 12.0810 12.0810 15.1388 15.1388 15.4348 15.4348 16.1752 16.1752 16.5790 16.5790 k = 0.1471 0.0849 0.2795 ( 2710 PWs) bands (ev): -48.9666 -48.9666 -48.9509 -48.9509 -23.3203 -23.3203 -23.2594 -23.2594 -15.7441 -15.7441 -15.6155 -15.6155 -15.5437 -15.5437 -15.5031 -15.5031 -1.8057 -1.8057 -1.6745 -1.6745 0.6058 0.6058 7.6018 7.6018 8.0105 8.0105 8.1851 8.1851 8.3575 8.3575 8.5824 8.5824 10.3807 10.3807 10.9541 10.9541 11.9518 11.9518 12.0477 12.0477 15.1028 15.1028 15.4387 15.4387 16.2392 16.2392 16.6350 16.6350 k = 0.1569 0.0906 0.2795 ( 2710 PWs) bands (ev): -48.9663 -48.9663 -48.9508 -48.9508 -23.3214 -23.3214 -23.2613 -23.2613 -15.7461 -15.7461 -15.6228 -15.6228 -15.5499 -15.5499 -15.5040 -15.5040 -1.7738 -1.7738 -1.6400 -1.6400 0.6045 0.6045 7.5559 7.5559 8.0204 8.0204 8.1974 8.1974 8.3717 8.3717 8.6260 8.6260 10.2795 10.2795 11.0012 11.0012 11.9191 11.9191 12.0146 12.0146 15.0674 15.0674 15.4451 15.4451 16.3054 16.3054 16.6889 16.6889 k = 0.1667 0.0962 0.2795 ( 2706 PWs) bands (ev): -48.9659 -48.9659 -48.9506 -48.9506 -23.3224 -23.3224 -23.2633 -23.2633 -15.7484 -15.7484 -15.6303 -15.6303 -15.5561 -15.5561 -15.5049 -15.5049 -1.7405 -1.7405 -1.6040 -1.6040 0.6033 0.6033 7.5113 7.5113 8.0314 8.0314 8.2033 8.2033 8.3931 8.3931 8.6720 8.6720 10.1781 10.1781 11.0447 11.0447 11.8856 11.8856 11.9824 11.9824 15.0325 15.0325 15.4540 15.4540 16.3733 16.3733 16.7395 16.7395 k = 0.1765 0.1019 0.2795 ( 2706 PWs) bands (ev): -48.9655 -48.9655 -48.9505 -48.9505 -23.3236 -23.3236 -23.2653 -23.2653 -15.7509 -15.7509 -15.6381 -15.6381 -15.5624 -15.5624 -15.5059 -15.5059 -1.7060 -1.7060 -1.5665 -1.5665 0.6021 0.6021 7.4682 7.4682 8.0433 8.0433 8.2034 8.2034 8.4212 8.4212 8.7201 8.7201 10.0772 10.0772 11.0835 11.0835 11.8514 11.8514 11.9518 11.9518 14.9983 14.9983 15.4650 15.4650 16.4423 16.4423 16.7851 16.7851 k = 0.1863 0.1075 0.2795 ( 2698 PWs) bands (ev): -48.9651 -48.9651 -48.9503 -48.9503 -23.3246 -23.3246 -23.2674 -23.2674 -15.7536 -15.7536 -15.6459 -15.6459 -15.5686 -15.5686 -15.5070 -15.5070 -1.6704 -1.6704 -1.5278 -1.5278 0.6010 0.6010 7.4268 7.4268 8.0559 8.0559 8.1989 8.1989 8.4549 8.4549 8.7703 8.7703 9.9778 9.9778 11.1165 11.1165 11.8167 11.8167 11.9240 11.9240 14.9649 14.9649 15.4782 15.4782 16.5116 16.5116 16.8243 16.8243 k = 0.1961 0.1132 0.2795 ( 2694 PWs) bands (ev): -48.9647 -48.9647 -48.9502 -48.9502 -23.3258 -23.3258 -23.2696 -23.2696 -15.7566 -15.7566 -15.6539 -15.6539 -15.5747 -15.5747 -15.5081 -15.5081 -1.6340 -1.6340 -1.4880 -1.4880 0.6000 0.6000 7.3872 7.3872 8.0681 8.0681 8.1919 8.1919 8.4929 8.4929 8.8223 8.8223 9.8804 9.8804 11.1424 11.1424 11.7813 11.7813 11.9001 11.9001 14.9323 14.9323 15.4931 15.4931 16.5803 16.5803 16.8556 16.8556 k = 0.2059 0.1189 0.2795 ( 2690 PWs) bands (ev): -48.9643 -48.9643 -48.9500 -48.9500 -23.3269 -23.3269 -23.2719 -23.2719 -15.7599 -15.7599 -15.6621 -15.6621 -15.5806 -15.5806 -15.5094 -15.5094 -1.5967 -1.5967 -1.4471 -1.4471 0.5991 0.5991 7.3496 7.3496 8.0784 8.0784 8.1847 8.1847 8.5343 8.5343 8.8761 8.8761 9.7860 9.7860 11.1602 11.1602 11.7453 11.7453 11.8810 11.8810 14.9006 14.9006 15.5096 15.5096 16.6469 16.6469 16.8781 16.8781 k = 0.2157 0.1245 0.2795 ( 2698 PWs) bands (ev): -48.9639 -48.9639 -48.9499 -48.9499 -23.3282 -23.3282 -23.2743 -23.2743 -15.7636 -15.7636 -15.6706 -15.6706 -15.5864 -15.5864 -15.5107 -15.5107 -1.5588 -1.5588 -1.4055 -1.4055 0.5984 0.5984 7.3141 7.3141 8.0831 8.0831 8.1813 8.1813 8.5782 8.5782 8.9314 8.9314 9.6953 9.6953 11.1690 11.1690 11.7087 11.7087 11.8678 11.8678 14.8698 14.8698 15.5273 15.5273 16.7087 16.7087 16.8924 16.8924 k = 0.2255 0.1302 0.2795 ( 2694 PWs) bands (ev): -48.9634 -48.9634 -48.9497 -48.9497 -23.3294 -23.3294 -23.2766 -23.2766 -15.7675 -15.7675 -15.6790 -15.6790 -15.5918 -15.5918 -15.5121 -15.5121 -1.5204 -1.5204 -1.3632 -1.3632 0.5979 0.5979 7.2806 7.2806 8.0784 8.0784 8.1858 8.1858 8.6241 8.6241 8.9881 8.9881 9.6091 9.6091 11.1685 11.1685 11.6718 11.6718 11.8608 11.8608 14.8401 14.8401 15.5457 15.5457 16.7582 16.7582 16.9040 16.9040 k = 0.2353 0.1358 0.2795 ( 2708 PWs) bands (ev): -48.9630 -48.9630 -48.9496 -48.9496 -23.3307 -23.3307 -23.2792 -23.2792 -15.7718 -15.7718 -15.6877 -15.6877 -15.5971 -15.5971 -15.5137 -15.5137 -1.4817 -1.4817 -1.3204 -1.3204 0.5977 0.5977 7.2491 7.2491 8.0636 8.0636 8.1990 8.1990 8.6718 8.6718 9.0456 9.0456 9.5281 9.5281 11.1586 11.1586 11.6346 11.6346 11.8599 11.8599 14.8115 14.8115 15.5645 15.5645 16.7798 16.7798 16.9271 16.9271 k = 0.2451 0.1415 0.2795 ( 2708 PWs) bands (ev): -48.9625 -48.9625 -48.9495 -48.9495 -23.3319 -23.3319 -23.2817 -23.2817 -15.7762 -15.7762 -15.6964 -15.6964 -15.6018 -15.6018 -15.5152 -15.5152 -1.4428 -1.4428 -1.2774 -1.2774 0.5978 0.5978 7.2195 7.2195 8.0413 8.0413 8.2184 8.2184 8.7207 8.7207 9.1036 9.1036 9.4536 9.4536 11.1402 11.1402 11.5975 11.5975 11.8643 11.8643 14.7841 14.7841 15.5832 15.5832 16.7650 16.7650 16.9694 16.9694 k = 0.2549 0.1472 0.2795 ( 2708 PWs) bands (ev): -48.9621 -48.9621 -48.9493 -48.9493 -23.3331 -23.3331 -23.2842 -23.2842 -15.7810 -15.7810 -15.7051 -15.7051 -15.6062 -15.6062 -15.5168 -15.5168 -1.4038 -1.4038 -1.2342 -1.2342 0.5982 0.5982 7.1917 7.1917 8.0135 8.0135 8.2419 8.2419 8.7707 8.7707 9.1607 9.1607 9.3870 9.3870 11.1141 11.1141 11.5607 11.5607 11.8729 11.8729 14.7578 14.7578 15.6012 15.6012 16.7239 16.7239 17.0208 17.0208 k = 0.2647 0.1528 0.2795 ( 2708 PWs) bands (ev): -48.9616 -48.9616 -48.9492 -48.9492 -23.3343 -23.3343 -23.2866 -23.2866 -15.7859 -15.7859 -15.7139 -15.7139 -15.6102 -15.6102 -15.5184 -15.5184 -1.3649 -1.3649 -1.1911 -1.1911 0.5990 0.5990 7.1655 7.1655 7.9819 7.9819 8.2684 8.2684 8.8211 8.8211 9.2115 9.2115 9.3342 9.3342 11.0817 11.0817 11.5244 11.5244 11.8845 11.8845 14.7329 14.7329 15.6179 15.6179 16.6657 16.6657 17.0729 17.0729 k = 0.2745 0.1585 0.2795 ( 2706 PWs) bands (ev): -48.9612 -48.9612 -48.9491 -48.9491 -23.3354 -23.3354 -23.2891 -23.2891 -15.7909 -15.7909 -15.7227 -15.7227 -15.6137 -15.6137 -15.5200 -15.5200 -1.3263 -1.3263 -1.1483 -1.1483 0.6002 0.6002 7.1406 7.1406 7.9472 7.9472 8.2970 8.2970 8.8715 8.8715 9.2275 9.2275 9.3239 9.3239 11.0440 11.0440 11.4888 11.4888 11.8980 11.8980 14.7092 14.7092 15.6324 15.6324 16.5956 16.5956 17.1216 17.1216 k = 0.2843 0.1641 0.2795 ( 2708 PWs) bands (ev): -48.9607 -48.9607 -48.9490 -48.9490 -23.3366 -23.3366 -23.2916 -23.2916 -15.7961 -15.7961 -15.7315 -15.7315 -15.6169 -15.6169 -15.5217 -15.5217 -1.2880 -1.2880 -1.1060 -1.1060 0.6019 0.6019 7.1166 7.1166 7.9105 7.9105 8.3276 8.3276 8.9209 8.9209 9.1983 9.1983 9.3674 9.3674 11.0023 11.0023 11.4541 11.4541 11.9125 11.9125 14.6869 14.6869 15.6439 15.6439 16.5180 16.5180 17.1636 17.1636 k = 0.2941 0.1698 0.2795 ( 2700 PWs) bands (ev): -48.9602 -48.9602 -48.9488 -48.9488 -23.3376 -23.3376 -23.2940 -23.2940 -15.8014 -15.8014 -15.7402 -15.7402 -15.6197 -15.6197 -15.5233 -15.5233 -1.2502 -1.2502 -1.0643 -1.0643 0.6041 0.6041 7.0931 7.0931 7.8727 7.8727 8.3597 8.3597 8.9668 8.9668 9.1663 9.1663 9.4240 9.4240 10.9572 10.9572 11.4205 11.4205 11.9270 11.9270 14.6660 14.6660 15.6511 15.6511 16.4365 16.4365 17.1954 17.1954 k = 0.3039 0.1755 0.2795 ( 2700 PWs) bands (ev): -48.9598 -48.9598 -48.9487 -48.9487 -23.3386 -23.3386 -23.2965 -23.2965 -15.8067 -15.8067 -15.7488 -15.7488 -15.6222 -15.6222 -15.5250 -15.5250 -1.2131 -1.2131 -1.0236 -1.0236 0.6068 0.6068 7.0696 7.0696 7.8347 7.8347 8.3930 8.3930 9.0032 9.0032 9.1474 9.1474 9.4828 9.4828 10.9098 10.9098 11.3882 11.3882 11.9410 11.9410 14.6465 14.6465 15.6528 15.6528 16.3549 16.3549 17.2121 17.2121 k = 0.3137 0.1811 0.2795 ( 2700 PWs) bands (ev): -48.9593 -48.9593 -48.9486 -48.9486 -23.3397 -23.3397 -23.2989 -23.2989 -15.8121 -15.8121 -15.7574 -15.7574 -15.6243 -15.6243 -15.5267 -15.5267 -1.1768 -1.1768 -0.9840 -0.9840 0.6101 0.6101 7.0456 7.0456 7.7977 7.7977 8.4274 8.4274 9.0191 9.0191 9.1542 9.1542 9.5417 9.5417 10.8605 10.8605 11.3573 11.3573 11.9539 11.9539 14.6284 14.6284 15.6470 15.6470 16.2770 16.2770 17.2079 17.2079 k = 0.3235 0.1868 0.2795 ( 2692 PWs) bands (ev): -48.9589 -48.9589 -48.9485 -48.9485 -23.3405 -23.3405 -23.3012 -23.3012 -15.8173 -15.8173 -15.7657 -15.7657 -15.6261 -15.6261 -15.5284 -15.5284 -1.1414 -1.1414 -0.9456 -0.9456 0.6140 0.6140 7.0206 7.0206 7.7628 7.7628 8.4626 8.4626 9.0146 9.0146 9.1864 9.1864 9.5998 9.5998 10.8101 10.8101 11.3279 11.3279 11.9654 11.9654 14.6118 14.6118 15.6320 15.6320 16.2061 16.2061 17.1785 17.1785 k = 0.3333 0.1925 0.2795 ( 2700 PWs) bands (ev): -48.9585 -48.9585 -48.9484 -48.9484 -23.3415 -23.3415 -23.3036 -23.3036 -15.8225 -15.8225 -15.7740 -15.7740 -15.6277 -15.6277 -15.5301 -15.5301 -1.1071 -1.1071 -0.9087 -0.9087 0.6184 0.6184 6.9941 6.9941 7.7310 7.7310 8.4983 8.4983 9.0027 9.0027 9.2307 9.2307 9.6565 9.6565 10.7589 10.7589 11.3003 11.3003 11.9753 11.9753 14.5965 14.5965 15.6063 15.6063 16.1450 16.1450 17.1241 17.1241 k = 0.3431 0.1981 0.2795 ( 2704 PWs) bands (ev): -48.9580 -48.9580 -48.9484 -48.9484 -23.3424 -23.3424 -23.3059 -23.3059 -15.8276 -15.8276 -15.7820 -15.7820 -15.6290 -15.6290 -15.5318 -15.5318 -1.0739 -1.0739 -0.8735 -0.8735 0.6234 0.6234 6.9657 6.9657 7.7031 7.7031 8.5341 8.5341 8.9905 8.9905 9.2794 9.2794 9.7111 9.7111 10.7075 10.7075 11.2745 11.2745 11.9834 11.9834 14.5827 14.5827 15.5696 15.5696 16.0950 16.0950 17.0500 17.0500 k = 0.3529 0.2038 0.2795 ( 2700 PWs) bands (ev): -48.9576 -48.9576 -48.9483 -48.9483 -23.3431 -23.3431 -23.3081 -23.3081 -15.8325 -15.8325 -15.7897 -15.7897 -15.6301 -15.6301 -15.5334 -15.5334 -1.0419 -1.0419 -0.8400 -0.8400 0.6290 0.6290 6.9354 6.9354 7.6798 7.6798 8.5698 8.5698 8.9806 8.9806 9.3295 9.3295 9.7633 9.7633 10.6562 10.6562 11.2508 11.2508 11.9895 11.9895 14.5702 14.5702 15.5233 15.5233 16.0552 16.0552 16.9638 16.9638 k = 0.3627 0.2094 0.2795 ( 2706 PWs) bands (ev): -48.9572 -48.9572 -48.9482 -48.9482 -23.3439 -23.3439 -23.3103 -23.3103 -15.8372 -15.8372 -15.7972 -15.7972 -15.6311 -15.6311 -15.5350 -15.5350 -1.0114 -1.0114 -0.8086 -0.8086 0.6350 0.6350 6.9032 6.9032 7.6613 7.6613 8.6048 8.6048 8.9736 8.9736 9.3797 9.3797 9.8124 9.8124 10.6055 10.6055 11.2292 11.2292 11.9937 11.9937 14.5591 14.5591 15.4704 15.4704 16.0232 16.0232 16.8719 16.8719 k = 0.3725 0.2151 0.2795 ( 2702 PWs) bands (ev): -48.9568 -48.9568 -48.9482 -48.9482 -23.3446 -23.3446 -23.3122 -23.3122 -15.8416 -15.8416 -15.8043 -15.8043 -15.6318 -15.6318 -15.5366 -15.5366 -0.9823 -0.9823 -0.7792 -0.7792 0.6414 0.6414 6.8694 6.8694 7.6477 7.6477 8.6387 8.6387 8.9699 8.9699 9.4294 9.4294 9.8579 9.8579 10.5558 10.5558 11.2099 11.2099 11.9959 11.9959 14.5492 14.5492 15.4141 15.4141 15.9958 15.9958 16.7796 16.7796 k = 0.3824 0.2208 0.2795 ( 2702 PWs) bands (ev): -48.9564 -48.9564 -48.9482 -48.9482 -23.3453 -23.3453 -23.3141 -23.3141 -15.8457 -15.8457 -15.8111 -15.8111 -15.6324 -15.6324 -15.5380 -15.5380 -0.9548 -0.9548 -0.7520 -0.7520 0.6482 0.6482 6.8346 6.8346 7.6387 7.6387 8.6709 8.6709 8.9696 8.9696 9.4781 9.4781 9.8993 9.8993 10.5074 10.5074 11.1930 11.1930 11.9964 11.9964 14.5406 14.5406 15.3574 15.3574 15.9697 15.9697 16.6909 16.6909 k = 0.3922 0.2264 0.2795 ( 2706 PWs) bands (ev): -48.9561 -48.9561 -48.9481 -48.9481 -23.3459 -23.3459 -23.3160 -23.3160 -15.8495 -15.8495 -15.8176 -15.8176 -15.6329 -15.6329 -15.5394 -15.5394 -0.9291 -0.9291 -0.7270 -0.7270 0.6553 0.6553 6.7993 6.7993 7.6338 7.6338 8.7008 8.7008 8.9725 8.9725 9.5254 9.5254 9.9360 9.9360 10.4610 10.4610 11.1785 11.1785 11.9952 11.9952 14.5330 14.5330 15.3026 15.3026 15.9423 15.9423 16.6090 16.6090 k = 0.4020 0.2321 0.2795 ( 2702 PWs) bands (ev): -48.9557 -48.9557 -48.9481 -48.9481 -23.3463 -23.3463 -23.3177 -23.3177 -15.8530 -15.8530 -15.8236 -15.8236 -15.6332 -15.6332 -15.5407 -15.5407 -0.9051 -0.9051 -0.7043 -0.7043 0.6624 0.6624 6.7644 6.7644 7.6325 7.6325 8.7279 8.7279 8.9789 8.9789 9.5711 9.5711 9.9676 9.9676 10.4170 10.4170 11.1666 11.1666 11.9926 11.9926 14.5266 14.5266 15.2513 15.2513 15.9117 15.9117 16.5363 16.5363 k = 0.4118 0.2377 0.2795 ( 2698 PWs) bands (ev): -48.9554 -48.9554 -48.9481 -48.9481 -23.3466 -23.3466 -23.3194 -23.3194 -15.8560 -15.8560 -15.8292 -15.8292 -15.6334 -15.6334 -15.5420 -15.5420 -0.8830 -0.8830 -0.6840 -0.6840 0.6695 0.6695 6.7304 6.7304 7.6339 7.6339 8.7517 8.7517 8.9884 8.9884 9.6147 9.6147 9.9936 9.9936 10.3761 10.3761 11.1571 11.1571 11.9888 11.9888 14.5212 14.5212 15.2048 15.2048 15.8768 15.8768 16.4743 16.4743 k = 0.4216 0.2434 0.2795 ( 2700 PWs) bands (ev): -48.9551 -48.9551 -48.9481 -48.9481 -23.3470 -23.3470 -23.3209 -23.3209 -15.8587 -15.8587 -15.8344 -15.8344 -15.6336 -15.6336 -15.5431 -15.5431 -0.8629 -0.8629 -0.6659 -0.6659 0.6765 0.6765 6.6982 6.6982 7.6375 7.6375 8.7719 8.7719 9.0007 9.0007 9.6561 9.6561 10.0136 10.0136 10.3389 10.3389 11.1499 11.1499 11.9841 11.9841 14.5166 14.5166 15.1636 15.1636 15.8376 15.8376 16.4235 16.4235 k = 0.4314 0.2491 0.2795 ( 2700 PWs) bands (ev): -48.9549 -48.9549 -48.9481 -48.9481 -23.3473 -23.3473 -23.3223 -23.3223 -15.8611 -15.8611 -15.8392 -15.8392 -15.6337 -15.6337 -15.5441 -15.5441 -0.8449 -0.8449 -0.6502 -0.6502 0.6831 0.6831 6.6683 6.6683 7.6426 7.6426 8.7885 8.7885 9.0150 9.0150 9.6948 9.6948 10.0273 10.0273 10.3061 10.3061 11.1448 11.1448 11.9790 11.9790 14.5129 14.5129 15.1281 15.1281 15.7955 15.7955 16.3835 16.3835 k = 0.4412 0.2547 0.2795 ( 2700 PWs) bands (ev): -48.9546 -48.9546 -48.9481 -48.9481 -23.3475 -23.3475 -23.3235 -23.3235 -15.8631 -15.8631 -15.8434 -15.8434 -15.6338 -15.6338 -15.5450 -15.5450 -0.8291 -0.8291 -0.6368 -0.6368 0.6892 0.6892 6.6413 6.6413 7.6485 7.6485 8.8018 8.8018 9.0306 9.0306 9.7305 9.7305 10.0347 10.0347 10.2785 10.2785 11.1414 11.1414 11.9736 11.9736 14.5099 14.5099 15.0983 15.0983 15.7525 15.7525 16.3528 16.3528 k = 0.4510 0.2604 0.2795 ( 2692 PWs) bands (ev): -48.9544 -48.9544 -48.9481 -48.9481 -23.3476 -23.3476 -23.3245 -23.3245 -15.8646 -15.8646 -15.8471 -15.8471 -15.6338 -15.6338 -15.5458 -15.5458 -0.8155 -0.8155 -0.6255 -0.6255 0.6947 0.6947 6.6176 6.6176 7.6545 7.6545 8.8121 8.8121 9.0462 9.0462 9.7628 9.7628 10.0363 10.0363 10.2564 10.2564 11.1396 11.1396 11.9683 11.9683 14.5075 14.5075 15.0742 15.0742 15.7110 15.7110 16.3299 16.3299 k = 0.4608 0.2660 0.2795 ( 2686 PWs) bands (ev): -48.9542 -48.9542 -48.9481 -48.9481 -23.3477 -23.3477 -23.3252 -23.3252 -15.8657 -15.8657 -15.8502 -15.8502 -15.6338 -15.6338 -15.5464 -15.5464 -0.8043 -0.8043 -0.6164 -0.6164 0.6995 0.6995 6.5978 6.5978 7.6602 7.6602 8.8200 8.8200 9.0608 9.0608 9.7910 9.7910 10.0333 10.0333 10.2397 10.2397 11.1388 11.1388 11.9636 11.9636 14.5057 14.5057 15.0553 15.0553 15.6734 15.6734 16.3133 16.3133 k = 0.4706 0.2717 0.2795 ( 2684 PWs) bands (ev): -48.9541 -48.9541 -48.9481 -48.9481 -23.3477 -23.3477 -23.3259 -23.3259 -15.8665 -15.8665 -15.8528 -15.8528 -15.6337 -15.6337 -15.5469 -15.5469 -0.7954 -0.7954 -0.6094 -0.6094 0.7033 0.7033 6.5820 6.5820 7.6652 7.6652 8.8258 8.8258 9.0734 9.0734 9.8145 9.8145 10.0274 10.0274 10.2278 10.2278 11.1386 11.1386 11.9595 11.9595 14.5044 14.5044 15.0414 15.0414 15.6418 15.6418 16.3015 16.3015 k = 0.4804 0.2774 0.2795 ( 2692 PWs) bands (ev): -48.9540 -48.9540 -48.9481 -48.9481 -23.3479 -23.3479 -23.3265 -23.3265 -15.8672 -15.8672 -15.8548 -15.8548 -15.6338 -15.6338 -15.5473 -15.5473 -0.7891 -0.7891 -0.6045 -0.6045 0.7061 0.7061 6.5705 6.5705 7.6690 7.6690 8.8297 8.8297 9.0830 9.0830 9.8325 9.8325 10.0209 10.0209 10.2199 10.2199 11.1388 11.1388 11.9564 11.9564 14.5036 14.5036 15.0319 15.0319 15.6180 15.6180 16.2937 16.2937 k = 0.4902 0.2830 0.2795 ( 2692 PWs) bands (ev): -48.9539 -48.9539 -48.9481 -48.9481 -23.3479 -23.3479 -23.3268 -23.3268 -15.8674 -15.8674 -15.8560 -15.8560 -15.6338 -15.6338 -15.5475 -15.5475 -0.7853 -0.7853 -0.6015 -0.6015 0.7078 0.7078 6.5636 6.5636 7.6713 7.6713 8.8320 8.8320 9.0890 9.0890 9.8440 9.8440 10.0158 10.0158 10.2154 10.2154 11.1390 11.1390 11.9545 11.9545 14.5031 14.5031 15.0264 15.0264 15.6031 15.6031 16.2893 16.2893 k = 0.5000 0.2887 0.2795 ( 2696 PWs) bands (ev): -48.9539 -48.9539 -48.9481 -48.9481 -23.3480 -23.3480 -23.3269 -23.3269 -15.8675 -15.8675 -15.8564 -15.8564 -15.6338 -15.6338 -15.5476 -15.5476 -0.7840 -0.7840 -0.6006 -0.6006 0.7084 0.7084 6.5612 6.5612 7.6722 7.6722 8.8327 8.8327 9.0911 9.0911 9.8480 9.8480 10.0140 10.0140 10.2140 10.2140 11.1391 11.1391 11.9539 11.9539 14.5029 14.5029 15.0246 15.0246 15.5981 15.5981 16.2879 16.2879 k = 0.5000 0.2887 0.2795 ( 2696 PWs) bands (ev): -48.9539 -48.9539 -48.9481 -48.9481 -23.3480 -23.3480 -23.3269 -23.3269 -15.8675 -15.8675 -15.8564 -15.8564 -15.6338 -15.6338 -15.5476 -15.5476 -0.7840 -0.7840 -0.6006 -0.6006 0.7084 0.7084 6.5612 6.5612 7.6722 7.6722 8.8327 8.8327 9.0911 9.0911 9.8480 9.8480 10.0140 10.0140 10.2140 10.2140 11.1391 11.1391 11.9539 11.9539 14.5029 14.5029 15.0246 15.0246 15.5981 15.5981 16.2879 16.2879 k = 0.4944 0.2983 0.2795 ( 2692 PWs) bands (ev): -48.9539 -48.9539 -48.9481 -48.9481 -23.3480 -23.3480 -23.3269 -23.3269 -15.8685 -15.8685 -15.8553 -15.8553 -15.6339 -15.6339 -15.5478 -15.5478 -0.7839 -0.7839 -0.5997 -0.5997 0.7087 0.7087 6.5621 6.5621 7.6733 7.6733 8.8305 8.8305 9.0857 9.0857 9.8442 9.8442 10.0208 10.0208 10.2166 10.2166 11.1400 11.1400 11.9504 11.9504 14.4949 14.4949 15.0335 15.0335 15.5970 15.5970 16.2851 16.2851 k = 0.4889 0.3079 0.2795 ( 2692 PWs) bands (ev): -48.9539 -48.9539 -48.9481 -48.9481 -23.3481 -23.3481 -23.3269 -23.3269 -15.8708 -15.8708 -15.8529 -15.8529 -15.6343 -15.6343 -15.5483 -15.5483 -0.7836 -0.7836 -0.5972 -0.5972 0.7097 0.7097 6.5648 6.5648 7.6765 7.6765 8.8233 8.8233 9.0708 9.0708 9.8345 9.8345 10.0388 10.0388 10.2249 10.2249 11.1427 11.1427 11.9401 11.9401 14.4723 14.4723 15.0588 15.0588 15.5936 15.5936 16.2769 16.2769 k = 0.4833 0.3175 0.2795 ( 2690 PWs) bands (ev): -48.9539 -48.9539 -48.9481 -48.9481 -23.3481 -23.3481 -23.3270 -23.3270 -15.8735 -15.8735 -15.8497 -15.8497 -15.6348 -15.6348 -15.5490 -15.5490 -0.7831 -0.7831 -0.5931 -0.5931 0.7114 0.7114 6.5692 6.5692 7.6820 7.6820 8.8094 8.8094 9.0495 9.0495 9.8215 9.8215 10.0624 10.0624 10.2401 10.2401 11.1471 11.1471 11.9232 11.9232 14.4380 14.4380 15.0976 15.0976 15.5877 15.5877 16.2639 16.2639 k = 0.4778 0.3272 0.2795 ( 2694 PWs) bands (ev): -48.9538 -48.9538 -48.9482 -48.9482 -23.3484 -23.3484 -23.3270 -23.3270 -15.8765 -15.8765 -15.8463 -15.8463 -15.6358 -15.6358 -15.5501 -15.5501 -0.7824 -0.7824 -0.5874 -0.5874 0.7137 0.7137 6.5754 6.5754 7.6897 7.6897 8.7864 8.7864 9.0266 9.0266 9.8070 9.8070 10.0860 10.0860 10.2635 10.2635 11.1532 11.1532 11.9003 11.9003 14.3950 14.3950 15.1466 15.1466 15.5791 15.5791 16.2472 16.2472 k = 0.4722 0.3368 0.2795 ( 2694 PWs) bands (ev): -48.9538 -48.9538 -48.9482 -48.9482 -23.3486 -23.3486 -23.3271 -23.3271 -15.8795 -15.8795 -15.8427 -15.8427 -15.6368 -15.6368 -15.5515 -15.5515 -0.7814 -0.7814 -0.5803 -0.5803 0.7166 0.7166 6.5833 6.5833 7.6996 7.6996 8.7519 8.7519 9.0066 9.0066 9.7918 9.7918 10.1059 10.1059 10.2960 10.2960 11.1609 11.1609 11.8721 11.8721 14.3459 14.3459 15.2030 15.2030 15.5677 15.5677 16.2281 16.2281 k = 0.4667 0.3464 0.2795 ( 2694 PWs) bands (ev): -48.9537 -48.9537 -48.9482 -48.9482 -23.3489 -23.3489 -23.3272 -23.3272 -15.8825 -15.8825 -15.8389 -15.8389 -15.6381 -15.6381 -15.5532 -15.5532 -0.7800 -0.7800 -0.5718 -0.5718 0.7202 0.7202 6.5930 6.5930 7.7116 7.7116 8.7054 8.7054 8.9923 8.9923 9.7760 9.7760 10.1205 10.1205 10.3367 10.3367 11.1700 11.1700 11.8394 11.8394 14.2925 14.2925 15.2641 15.2641 15.5537 15.5537 16.2080 16.2080 k = 0.4611 0.3560 0.2795 ( 2706 PWs) bands (ev): -48.9536 -48.9536 -48.9482 -48.9482 -23.3493 -23.3493 -23.3274 -23.3274 -15.8856 -15.8856 -15.8351 -15.8351 -15.6398 -15.6398 -15.5552 -15.5552 -0.7783 -0.7783 -0.5622 -0.5622 0.7244 0.7244 6.6044 6.6044 7.7259 7.7259 8.6483 8.6483 8.9838 8.9838 9.7599 9.7599 10.1300 10.1300 10.3832 10.3832 11.1805 11.1805 11.8031 11.8031 14.2360 14.2360 15.3261 15.3261 15.5389 15.5389 16.1885 16.1885 k = 0.4556 0.3657 0.2795 ( 2702 PWs) bands (ev): -48.9535 -48.9535 -48.9482 -48.9482 -23.3496 -23.3496 -23.3275 -23.3275 -15.8885 -15.8885 -15.8312 -15.8312 -15.6415 -15.6415 -15.5573 -15.5573 -0.7763 -0.7763 -0.5516 -0.5516 0.7292 0.7292 6.6175 6.6175 7.7424 7.7424 8.5832 8.5832 8.9801 8.9801 9.7433 9.7433 10.1350 10.1350 10.4333 10.4333 11.1920 11.1920 11.7643 11.7643 14.1775 14.1775 15.3799 15.3799 15.5309 15.5309 16.1711 16.1711 k = 0.4500 0.3753 0.2795 ( 2702 PWs) bands (ev): -48.9534 -48.9534 -48.9482 -48.9482 -23.3500 -23.3500 -23.3277 -23.3277 -15.8914 -15.8914 -15.8271 -15.8271 -15.6434 -15.6434 -15.5597 -15.5597 -0.7738 -0.7738 -0.5400 -0.5400 0.7345 0.7345 6.6323 6.6323 7.7611 7.7611 8.5124 8.5124 8.9800 8.9800 9.7262 9.7262 10.1361 10.1361 10.4851 10.4851 11.2045 11.2045 11.7237 11.7237 14.1179 14.1179 15.4026 15.4026 15.5512 15.5512 16.1570 16.1570 k = 0.4444 0.3849 0.2795 ( 2694 PWs) bands (ev): -48.9533 -48.9533 -48.9482 -48.9482 -23.3502 -23.3502 -23.3278 -23.3278 -15.8942 -15.8942 -15.8230 -15.8230 -15.6455 -15.6455 -15.5623 -15.5623 -0.7709 -0.7709 -0.5278 -0.5278 0.7404 0.7404 6.6488 6.6488 7.7821 7.7821 8.4378 8.4378 8.9827 8.9827 9.7088 9.7088 10.1334 10.1334 10.5372 10.5372 11.2177 11.2177 11.6826 11.6826 14.0578 14.0578 15.3866 15.3866 15.6066 15.6066 16.1472 16.1472 k = 0.4389 0.3945 0.2795 ( 2686 PWs) bands (ev): -48.9532 -48.9532 -48.9482 -48.9482 -23.3506 -23.3506 -23.3279 -23.3279 -15.8970 -15.8970 -15.8187 -15.8187 -15.6478 -15.6478 -15.5649 -15.5649 -0.7676 -0.7676 -0.5149 -0.5149 0.7468 0.7468 6.6668 6.6668 7.8052 7.8052 8.3608 8.3608 8.9874 8.9874 9.6908 9.6908 10.1269 10.1269 10.5888 10.5888 11.2314 11.2314 11.6418 11.6418 13.9979 13.9979 15.3514 15.3514 15.6770 15.6770 16.1423 16.1423 k = 0.4333 0.4041 0.2795 ( 2686 PWs) bands (ev): -48.9530 -48.9530 -48.9482 -48.9482 -23.3511 -23.3511 -23.3281 -23.3281 -15.8997 -15.8997 -15.8145 -15.8145 -15.6504 -15.6504 -15.5677 -15.5677 -0.7640 -0.7640 -0.5016 -0.5016 0.7536 0.7536 6.6864 6.6864 7.8304 7.8304 8.2826 8.2826 8.9938 8.9938 9.6723 9.6723 10.1167 10.1167 10.6390 10.6390 11.2453 11.2453 11.6022 11.6022 13.9387 13.9387 15.3069 15.3069 15.7518 15.7518 16.1428 16.1428 k = 0.4278 0.4138 0.2795 ( 2686 PWs) bands (ev): -48.9529 -48.9529 -48.9483 -48.9483 -23.3515 -23.3515 -23.3283 -23.3283 -15.9024 -15.9024 -15.8101 -15.8101 -15.6532 -15.6532 -15.5707 -15.5707 -0.7600 -0.7600 -0.4880 -0.4880 0.7607 0.7607 6.7074 6.7074 7.8576 7.8576 8.2042 8.2042 9.0015 9.0015 9.6531 9.6531 10.1025 10.1025 10.6873 10.6873 11.2593 11.2593 11.5646 11.5646 13.8808 13.8808 15.2569 15.2569 15.8266 15.8266 16.1492 16.1492 k = 0.4222 0.4234 0.2795 ( 2678 PWs) bands (ev): -48.9527 -48.9527 -48.9483 -48.9483 -23.3519 -23.3519 -23.3284 -23.3284 -15.9050 -15.9050 -15.8058 -15.8058 -15.6560 -15.6560 -15.5736 -15.5736 -0.7557 -0.7557 -0.4742 -0.4742 0.7683 0.7683 6.7299 6.7299 7.8863 7.8863 8.1266 8.1266 9.0104 9.0104 9.6332 9.6332 10.0846 10.0846 10.7335 10.7335 11.2730 11.2730 11.5297 11.5297 13.8247 13.8247 15.2033 15.2033 15.8987 15.8987 16.1619 16.1619 k = 0.4167 0.4330 0.2795 ( 2678 PWs) bands (ev): -48.9526 -48.9526 -48.9483 -48.9483 -23.3524 -23.3524 -23.3287 -23.3287 -15.9075 -15.9075 -15.8013 -15.8013 -15.6592 -15.6592 -15.5766 -15.5766 -0.7511 -0.7511 -0.4604 -0.4604 0.7761 0.7761 6.7537 6.7537 7.9144 7.9144 8.0525 8.0525 9.0202 9.0202 9.6122 9.6122 10.0630 10.0630 10.7772 10.7772 11.2862 11.2862 11.4981 11.4981 13.7707 13.7707 15.1474 15.1474 15.9651 15.9651 16.1822 16.1822 k = 0.4111 0.4426 0.2795 ( 2682 PWs) bands (ev): -48.9524 -48.9524 -48.9484 -48.9484 -23.3529 -23.3529 -23.3289 -23.3289 -15.9100 -15.9100 -15.7969 -15.7969 -15.6625 -15.6625 -15.5797 -15.5797 -0.7464 -0.7464 -0.4467 -0.4467 0.7841 0.7841 6.7788 6.7788 7.9266 7.9266 7.9977 7.9977 9.0307 9.0307 9.5899 9.5899 10.0381 10.0381 10.8182 10.8182 11.2986 11.2986 11.4702 11.4702 13.7193 13.7193 15.0904 15.0904 16.0233 16.0233 16.2112 16.2112 k = 0.4056 0.4523 0.2795 ( 2686 PWs) bands (ev): -48.9522 -48.9522 -48.9484 -48.9484 -23.3534 -23.3534 -23.3292 -23.3292 -15.9124 -15.9124 -15.7925 -15.7925 -15.6660 -15.6660 -15.5826 -15.5826 -0.7415 -0.7415 -0.4333 -0.4333 0.7922 0.7922 6.8050 6.8050 7.8786 7.8786 8.0068 8.0068 9.0419 9.0419 9.5660 9.5660 10.0106 10.0106 10.8563 10.8563 11.3100 11.3100 11.4463 11.4463 13.6707 13.6707 15.0332 15.0332 16.0714 16.0714 16.2490 16.2490 k = 0.4000 0.4619 0.2795 ( 2684 PWs) bands (ev): -48.9521 -48.9521 -48.9485 -48.9485 -23.3539 -23.3539 -23.3295 -23.3295 -15.9147 -15.9147 -15.7880 -15.7880 -15.6696 -15.6696 -15.5855 -15.5855 -0.7365 -0.7365 -0.4202 -0.4202 0.8003 0.8003 6.8322 6.8322 7.8098 7.8098 8.0408 8.0408 9.0536 9.0536 9.5401 9.5401 9.9811 9.9811 10.8914 10.8914 11.3201 11.3201 11.4266 11.4266 13.6253 13.6253 14.9767 14.9767 16.1106 16.1106 16.2933 16.2933 k = 0.3944 0.4715 0.2795 ( 2686 PWs) bands (ev): -48.9519 -48.9519 -48.9486 -48.9486 -23.3543 -23.3543 -23.3298 -23.3298 -15.9169 -15.9169 -15.7836 -15.7836 -15.6733 -15.6733 -15.5882 -15.5882 -0.7315 -0.7315 -0.4077 -0.4077 0.8085 0.8085 6.8603 6.8603 7.7399 7.7399 8.0801 8.0801 9.0656 9.0656 9.5118 9.5118 9.9506 9.9506 10.9235 10.9235 11.3285 11.3285 11.4111 11.4111 13.5832 13.5832 14.9216 14.9216 16.1438 16.1438 16.3395 16.3395 k = 0.3889 0.4811 0.2795 ( 2678 PWs) bands (ev): -48.9517 -48.9517 -48.9486 -48.9486 -23.3547 -23.3547 -23.3300 -23.3300 -15.9189 -15.9189 -15.7791 -15.7791 -15.6771 -15.6771 -15.5908 -15.5908 -0.7266 -0.7266 -0.3958 -0.3958 0.8164 0.8164 6.8891 6.8891 7.6717 7.6717 8.1221 8.1221 9.0777 9.0777 9.4807 9.4807 9.9202 9.9202 10.9525 10.9525 11.3350 11.3350 11.4000 11.4000 13.5446 13.5446 14.8687 14.8687 16.1738 16.1738 16.3839 16.3839 k = 0.3833 0.4907 0.2795 ( 2678 PWs) bands (ev): -48.9515 -48.9515 -48.9487 -48.9487 -23.3550 -23.3550 -23.3302 -23.3302 -15.9208 -15.9208 -15.7748 -15.7748 -15.6809 -15.6809 -15.5932 -15.5932 -0.7218 -0.7218 -0.3846 -0.3846 0.8241 0.8241 6.9186 6.9186 7.6060 7.6060 8.1659 8.1659 9.0897 9.0897 9.4466 9.4466 9.8907 9.8907 10.9783 10.9783 11.3392 11.3392 11.3932 11.3932 13.5097 13.5097 14.8185 14.8185 16.2023 16.2023 16.4235 16.4235 k = 0.3778 0.5004 0.2795 ( 2668 PWs) bands (ev): -48.9513 -48.9513 -48.9488 -48.9488 -23.3553 -23.3553 -23.3304 -23.3304 -15.9226 -15.9226 -15.7705 -15.7705 -15.6848 -15.6848 -15.5953 -15.5953 -0.7172 -0.7172 -0.3743 -0.3743 0.8315 0.8315 6.9485 6.9485 7.5433 7.5433 8.2112 8.2112 9.1015 9.1015 9.4096 9.4096 9.8633 9.8633 11.0011 11.0011 11.3412 11.3412 11.3900 11.3900 13.4784 13.4784 14.7718 14.7718 16.2303 16.2303 16.4567 16.4567 k = 0.3722 0.5100 0.2795 ( 2676 PWs) bands (ev): -48.9511 -48.9511 -48.9489 -48.9489 -23.3557 -23.3557 -23.3307 -23.3307 -15.9243 -15.9243 -15.7664 -15.7664 -15.6887 -15.6887 -15.5973 -15.5973 -0.7129 -0.7129 -0.3649 -0.3649 0.8384 0.8384 6.9787 6.9787 7.4840 7.4840 8.2571 8.2571 9.1127 9.1127 9.3700 9.3700 9.8384 9.8384 11.0209 11.0209 11.3418 11.3418 11.3895 11.3895 13.4509 13.4509 14.7289 14.7289 16.2579 16.2579 16.4825 16.4825 k = 0.3667 0.5196 0.2795 ( 2676 PWs) bands (ev): -48.9509 -48.9509 -48.9490 -48.9490 -23.3560 -23.3560 -23.3309 -23.3309 -15.9257 -15.9257 -15.7624 -15.7624 -15.6925 -15.6925 -15.5991 -15.5991 -0.7089 -0.7089 -0.3565 -0.3565 0.8447 0.8447 7.0089 7.0089 7.4283 7.4283 8.3029 8.3029 9.1232 9.1232 9.3287 9.3287 9.8166 9.8166 11.0378 11.0378 11.3418 11.3418 11.3903 11.3903 13.4272 13.4272 14.6905 14.6905 16.2853 16.2853 16.5007 16.5008 k = 0.3611 0.5292 0.2795 ( 2672 PWs) bands (ev): -48.9507 -48.9507 -48.9491 -48.9491 -23.3562 -23.3562 -23.3311 -23.3311 -15.9270 -15.9270 -15.7587 -15.7587 -15.6960 -15.6960 -15.6005 -15.6005 -0.7053 -0.7053 -0.3492 -0.3492 0.8503 0.8503 7.0392 7.0392 7.3765 7.3765 8.3476 8.3476 9.1326 9.1326 9.2871 9.2871 9.7981 9.7981 11.0519 11.0519 11.3417 11.3417 11.3917 11.3917 13.4072 13.4072 14.6570 14.6570 16.3124 16.3124 16.5115 16.5115 k = 0.3556 0.5389 0.2795 ( 2672 PWs) bands (ev): -48.9505 -48.9505 -48.9492 -48.9492 -23.3564 -23.3564 -23.3313 -23.3313 -15.9281 -15.9281 -15.7554 -15.7554 -15.6993 -15.6993 -15.6017 -15.6017 -0.7022 -0.7022 -0.3432 -0.3432 0.8551 0.8551 7.0691 7.0691 7.3288 7.3288 8.3896 8.3896 9.1408 9.1408 9.2471 9.2471 9.7830 9.7830 11.0633 11.0633 11.3419 11.3419 11.3930 11.3930 13.3909 13.3909 14.6287 14.6287 16.3387 16.3387 16.5152 16.5152 k = 0.3500 0.5485 0.2795 ( 2672 PWs) bands (ev): -48.9503 -48.9503 -48.9493 -48.9493 -23.3566 -23.3566 -23.3315 -23.3315 -15.9290 -15.9290 -15.7525 -15.7525 -15.7022 -15.7022 -15.6027 -15.6027 -0.6997 -0.6997 -0.3384 -0.3384 0.8590 0.8590 7.0986 7.0986 7.2856 7.2856 8.4269 8.4269 9.1471 9.1471 9.2113 9.2113 9.7711 9.7711 11.0720 11.0720 11.3421 11.3421 11.3940 11.3940 13.3783 13.3783 14.6062 14.6062 16.3637 16.3637 16.5129 16.5129 k = 0.3444 0.5581 0.2795 ( 2676 PWs) bands (ev): -48.9502 -48.9502 -48.9495 -48.9495 -23.3568 -23.3568 -23.3316 -23.3316 -15.9296 -15.9296 -15.7503 -15.7503 -15.7045 -15.7045 -15.6034 -15.6034 -0.6978 -0.6978 -0.3349 -0.3349 0.8619 0.8619 7.1274 7.1274 7.2469 7.2469 8.4568 8.4568 9.1510 9.1510 9.1833 9.1833 9.7626 9.7626 11.0783 11.0783 11.3425 11.3425 11.3947 11.3947 13.3693 13.3693 14.5897 14.5897 16.3861 16.3861 16.5063 16.5063 k = 0.3389 0.5677 0.2795 ( 2676 PWs) bands (ev): -48.9500 -48.9500 -48.9496 -48.9496 -23.3568 -23.3568 -23.3317 -23.3317 -15.9300 -15.9300 -15.7490 -15.7490 -15.7059 -15.7059 -15.6038 -15.6038 -0.6966 -0.6966 -0.3327 -0.3327 0.8636 0.8636 7.1552 7.1552 7.2133 7.2133 8.4764 8.4764 9.1501 9.1501 9.1680 9.1680 9.7574 9.7574 11.0820 11.0820 11.3428 11.3428 11.3951 11.3951 13.3640 13.3640 14.5796 14.5796 16.4034 16.4034 16.4981 16.4981 k = 0.3333 0.5774 0.2795 ( 2670 PWs) bands (ev): -48.9498 -48.9498 -48.9498 -48.9498 -23.3568 -23.3568 -23.3317 -23.3317 -15.9301 -15.9301 -15.7484 -15.7484 -15.7063 -15.7063 -15.6040 -15.6040 -0.6962 -0.6962 -0.3320 -0.3320 0.8642 0.8642 7.1764 7.1764 7.1901 7.1901 8.4833 8.4833 9.1475 9.1475 9.1650 9.1650 9.7556 9.7556 11.0833 11.0833 11.3429 11.3429 11.3951 11.3951 13.3622 13.3622 14.5761 14.5761 16.4105 16.4105 16.4939 16.4939 k = 0.3333 0.5774 0.2795 ( 2670 PWs) bands (ev): -48.9498 -48.9498 -48.9498 -48.9498 -23.3568 -23.3568 -23.3317 -23.3317 -15.9301 -15.9301 -15.7484 -15.7484 -15.7063 -15.7063 -15.6040 -15.6040 -0.6962 -0.6962 -0.3320 -0.3320 0.8642 0.8642 7.1764 7.1764 7.1901 7.1901 8.4833 8.4833 9.1475 9.1475 9.1650 9.1650 9.7556 9.7556 11.0833 11.0833 11.3429 11.3429 11.3951 11.3951 13.3622 13.3622 14.5761 14.5761 16.4105 16.4105 16.4939 16.4939 k = 0.3277 0.5676 0.2795 ( 2674 PWs) bands (ev): -48.9500 -48.9500 -48.9496 -48.9496 -23.3568 -23.3568 -23.3317 -23.3317 -15.9300 -15.9300 -15.7489 -15.7489 -15.7059 -15.7059 -15.6038 -15.6038 -0.6966 -0.6966 -0.3328 -0.3328 0.8636 0.8636 7.1578 7.1578 7.2107 7.2107 8.4762 8.4762 9.1498 9.1498 9.1683 9.1683 9.7576 9.7576 11.0820 11.0820 11.3427 11.3427 11.3951 11.3951 13.3640 13.3640 14.5798 14.5798 16.4026 16.4026 16.4988 16.4988 k = 0.3220 0.5578 0.2795 ( 2678 PWs) bands (ev): -48.9502 -48.9502 -48.9495 -48.9495 -23.3568 -23.3568 -23.3316 -23.3316 -15.9296 -15.9296 -15.7502 -15.7502 -15.7045 -15.7045 -15.6034 -15.6034 -0.6980 -0.6980 -0.3351 -0.3351 0.8616 0.8616 7.1391 7.1391 7.2354 7.2354 8.4558 8.4558 9.1494 9.1494 9.1846 9.1846 9.7638 9.7638 11.0779 11.0779 11.3420 11.3420 11.3953 11.3953 13.3697 13.3697 14.5908 14.5908 16.3825 16.3825 16.5103 16.5103 k = 0.3164 0.5480 0.2795 ( 2682 PWs) bands (ev): -48.9504 -48.9504 -48.9493 -48.9493 -23.3567 -23.3567 -23.3315 -23.3315 -15.9289 -15.9289 -15.7521 -15.7521 -15.7026 -15.7026 -15.6027 -15.6027 -0.7004 -0.7004 -0.3390 -0.3390 0.8583 0.8583 7.1254 7.1254 7.2588 7.2588 8.4248 8.4248 9.1435 9.1435 9.2128 9.2128 9.7749 9.7749 11.0710 11.0710 11.3405 11.3405 11.3959 11.3959 13.3791 13.3791 14.6095 14.6095 16.3553 16.3553 16.5232 16.5232 k = 0.3107 0.5382 0.2795 ( 2678 PWs) bands (ev): -48.9506 -48.9506 -48.9492 -48.9492 -23.3565 -23.3565 -23.3312 -23.3312 -15.9278 -15.9278 -15.7543 -15.7543 -15.7001 -15.7001 -15.6017 -15.6017 -0.7040 -0.7040 -0.3445 -0.3445 0.8537 0.8537 7.1172 7.1172 7.2804 7.2804 8.3863 8.3863 9.1340 9.1340 9.2474 9.2474 9.7918 9.7918 11.0611 11.0611 11.3381 11.3381 11.3974 11.3974 13.3926 13.3926 14.6359 14.6359 16.3241 16.3241 16.5348 16.5348 k = 0.3051 0.5284 0.2795 ( 2676 PWs) bands (ev): -48.9509 -48.9509 -48.9490 -48.9490 -23.3562 -23.3562 -23.3309 -23.3309 -15.9263 -15.9263 -15.7567 -15.7567 -15.6973 -15.6973 -15.6005 -15.6005 -0.7087 -0.7087 -0.3516 -0.3516 0.8477 0.8477 7.1145 7.1145 7.3001 7.3001 8.3432 8.3432 9.1213 9.1213 9.2837 9.2837 9.8154 9.8154 11.0480 11.0480 11.3348 11.3348 11.3999 11.3999 13.4102 13.4102 14.6703 14.6703 16.2904 16.2904 16.5439 16.5439 k = 0.2994 0.5186 0.2795 ( 2682 PWs) bands (ev): -48.9511 -48.9511 -48.9489 -48.9489 -23.3560 -23.3560 -23.3305 -23.3305 -15.9246 -15.9246 -15.7591 -15.7591 -15.6944 -15.6944 -15.5990 -15.5990 -0.7146 -0.7146 -0.3605 -0.3605 0.8405 0.8405 7.1174 7.1174 7.3175 7.3175 8.2979 8.2979 9.1056 9.1056 9.3184 9.3184 9.8467 9.8467 11.0314 11.0314 11.3306 11.3306 11.4035 11.4035 13.4320 13.4320 14.7126 14.7126 16.2550 16.2550 16.5496 16.5496 k = 0.2938 0.5089 0.2795 ( 2690 PWs) bands (ev): -48.9514 -48.9514 -48.9488 -48.9488 -23.3557 -23.3557 -23.3301 -23.3301 -15.9225 -15.9225 -15.7615 -15.7615 -15.6915 -15.6915 -15.5974 -15.5974 -0.7218 -0.7218 -0.3710 -0.3710 0.8320 0.8320 7.1258 7.1258 7.3323 7.3323 8.2522 8.2522 9.0869 9.0869 9.3490 9.3490 9.8861 9.8861 11.0111 11.0111 11.3259 11.3259 11.4081 11.4081 13.4584 13.4584 14.7629 14.7629 16.2186 16.2186 16.5516 16.5516 k = 0.2881 0.4991 0.2795 ( 2688 PWs) bands (ev): -48.9517 -48.9517 -48.9486 -48.9486 -23.3553 -23.3553 -23.3295 -23.3295 -15.9200 -15.9200 -15.7637 -15.7637 -15.6885 -15.6885 -15.5954 -15.5954 -0.7304 -0.7304 -0.3833 -0.3833 0.8224 0.8224 7.1398 7.1398 7.3444 7.3444 8.2076 8.2076 9.0654 9.0654 9.3739 9.3739 9.9336 9.9336 10.9868 10.9868 11.3212 11.3212 11.4138 11.4138 13.4894 13.4894 14.8211 14.8211 16.1818 16.1818 16.5495 16.5495 k = 0.2825 0.4893 0.2795 ( 2680 PWs) bands (ev): -48.9520 -48.9520 -48.9485 -48.9485 -23.3548 -23.3548 -23.3287 -23.3287 -15.9171 -15.9171 -15.7656 -15.7656 -15.6854 -15.6854 -15.5931 -15.5931 -0.7404 -0.7404 -0.3973 -0.3973 0.8119 0.8119 7.1592 7.1592 7.3534 7.3534 8.1654 8.1654 9.0413 9.0413 9.3926 9.3926 9.9883 9.9883 10.9583 10.9583 11.3167 11.3167 11.4202 11.4202 13.5253 13.5253 14.8871 14.8871 16.1450 16.1450 16.5434 16.5434 k = 0.2768 0.4795 0.2795 ( 2684 PWs) bands (ev): -48.9523 -48.9523 -48.9484 -48.9484 -23.3544 -23.3544 -23.3279 -23.3279 -15.9139 -15.9139 -15.7673 -15.7673 -15.6825 -15.6825 -15.5908 -15.5908 -0.7519 -0.7519 -0.4132 -0.4132 0.8005 0.8005 7.1840 7.1840 7.3590 7.3590 8.1264 8.1264 9.0147 9.0147 9.4051 9.4051 10.0492 10.0492 10.9254 10.9254 11.3128 11.3128 11.4273 11.4273 13.5662 13.5662 14.9607 14.9607 16.1087 16.1087 16.5331 16.5331 k = 0.2712 0.4697 0.2795 ( 2678 PWs) bands (ev): -48.9526 -48.9526 -48.9483 -48.9483 -23.3539 -23.3539 -23.3269 -23.3269 -15.9103 -15.9103 -15.7687 -15.7687 -15.6795 -15.6795 -15.5882 -15.5882 -0.7649 -0.7649 -0.4308 -0.4308 0.7884 0.7884 7.2140 7.2140 7.3613 7.3613 8.0915 8.0915 8.9857 8.9857 9.4121 9.4121 10.1146 10.1146 10.8881 10.8881 11.3100 11.3100 11.4350 11.4350 13.6122 13.6122 15.0418 15.0418 16.0733 16.0733 16.5190 16.5190 k = 0.2655 0.4599 0.2795 ( 2674 PWs) bands (ev): -48.9529 -48.9529 -48.9483 -48.9483 -23.3533 -23.3533 -23.3258 -23.3258 -15.9063 -15.9063 -15.7698 -15.7698 -15.6766 -15.6766 -15.5854 -15.5854 -0.7794 -0.7794 -0.4503 -0.4503 0.7757 0.7757 7.2489 7.2489 7.3603 7.3603 8.0612 8.0612 8.9547 8.9547 9.4139 9.4139 10.1832 10.1832 10.8465 10.8465 11.3084 11.3084 11.4432 11.4432 13.6632 13.6632 15.1299 15.1299 16.0395 16.0395 16.5011 16.5011 k = 0.2599 0.4501 0.2795 ( 2674 PWs) bands (ev): -48.9533 -48.9533 -48.9482 -48.9482 -23.3527 -23.3527 -23.3247 -23.3247 -15.9020 -15.9020 -15.7705 -15.7705 -15.6738 -15.6738 -15.5825 -15.5825 -0.7956 -0.7956 -0.4717 -0.4717 0.7627 0.7627 7.2877 7.2877 7.3568 7.3568 8.0359 8.0359 8.9219 8.9219 9.4112 9.4112 10.2538 10.2538 10.8006 10.8006 11.3082 11.3082 11.4517 11.4517 13.7192 13.7192 15.2246 15.2246 16.0079 16.0079 16.4797 16.4797 k = 0.2542 0.4404 0.2795 ( 2676 PWs) bands (ev): -48.9536 -48.9536 -48.9482 -48.9482 -23.3521 -23.3521 -23.3234 -23.3234 -15.8974 -15.8974 -15.7709 -15.7709 -15.6711 -15.6711 -15.5796 -15.5796 -0.8133 -0.8133 -0.4950 -0.4950 0.7494 0.7494 7.3231 7.3231 7.3585 7.3585 8.0157 8.0157 8.8874 8.8874 9.4043 9.4043 10.3250 10.3250 10.7508 10.7508 11.3095 11.3095 11.4606 11.4606 13.7799 13.7799 15.3254 15.3254 15.9791 15.9791 16.4551 16.4551 k = 0.2486 0.4306 0.2795 ( 2676 PWs) bands (ev): -48.9540 -48.9540 -48.9481 -48.9481 -23.3514 -23.3514 -23.3220 -23.3220 -15.8924 -15.8924 -15.7709 -15.7709 -15.6684 -15.6684 -15.5765 -15.5765 -0.8326 -0.8326 -0.5201 -0.5201 0.7362 0.7362 7.3266 7.3266 7.3938 7.3938 8.0004 8.0004 8.8516 8.8516 9.3936 9.3936 10.3957 10.3957 10.6976 10.6976 11.3125 11.3125 11.4698 11.4698 13.8447 13.8447 15.4314 15.4314 15.9541 15.9541 16.4278 16.4278 k = 0.2429 0.4208 0.2795 ( 2676 PWs) bands (ev): -48.9544 -48.9544 -48.9481 -48.9481 -23.3507 -23.3507 -23.3206 -23.3206 -15.8871 -15.8871 -15.7704 -15.7704 -15.6657 -15.6657 -15.5733 -15.5733 -0.8536 -0.8536 -0.5472 -0.5472 0.7230 0.7230 7.3151 7.3151 7.4464 7.4464 7.9897 7.9897 8.8148 8.8148 9.3792 9.3792 10.4640 10.4640 10.6428 10.6428 11.3171 11.3171 11.4794 11.4794 13.9131 13.9131 15.5414 15.5414 15.9343 15.9343 16.3981 16.3981 k = 0.2373 0.4110 0.2795 ( 2676 PWs) bands (ev): -48.9548 -48.9548 -48.9481 -48.9481 -23.3500 -23.3500 -23.3189 -23.3189 -15.8814 -15.8814 -15.7696 -15.7696 -15.6631 -15.6631 -15.5700 -15.5700 -0.8761 -0.8761 -0.5761 -0.5761 0.7102 0.7102 7.3002 7.3002 7.5051 7.5051 7.9833 7.9833 8.7771 8.7771 9.3613 9.3613 10.5186 10.5186 10.5971 10.5971 11.3234 11.3234 11.4894 11.4894 13.9841 13.9841 15.6530 15.6530 15.9222 15.9222 16.3667 16.3667 k = 0.2316 0.4012 0.2795 ( 2676 PWs) bands (ev): -48.9552 -48.9552 -48.9481 -48.9481 -23.3492 -23.3492 -23.3172 -23.3172 -15.8756 -15.8756 -15.7683 -15.7683 -15.6605 -15.6605 -15.5668 -15.5668 -0.9003 -0.9003 -0.6069 -0.6069 0.6978 0.6978 7.2838 7.2838 7.5685 7.5685 7.9806 7.9806 8.7388 8.7388 9.3401 9.3401 10.4983 10.4983 10.6218 10.6218 11.3315 11.3315 11.4998 11.4998 14.0567 14.0567 15.7594 15.7594 15.9242 15.9242 16.3342 16.3342 k = 0.2260 0.3914 0.2795 ( 2692 PWs) bands (ev): -48.9556 -48.9556 -48.9481 -48.9481 -23.3484 -23.3484 -23.3156 -23.3156 -15.8695 -15.8695 -15.7668 -15.7668 -15.6579 -15.6579 -15.5636 -15.5636 -0.9260 -0.9260 -0.6394 -0.6394 0.6859 0.6859 7.2670 7.2670 7.6360 7.6360 7.9810 7.9810 8.7002 8.7002 9.3157 9.3157 10.4376 10.4376 10.6822 10.6822 11.3412 11.3412 11.5106 11.5106 14.1296 14.1296 15.8376 15.8376 15.9625 15.9625 16.3023 16.3023 k = 0.2203 0.3816 0.2795 ( 2688 PWs) bands (ev): -48.9560 -48.9560 -48.9481 -48.9481 -23.3475 -23.3475 -23.3137 -23.3137 -15.8631 -15.8631 -15.7647 -15.7647 -15.6552 -15.6552 -15.5602 -15.5602 -0.9531 -0.9531 -0.6738 -0.6738 0.6746 0.6746 7.2506 7.2506 7.7072 7.7072 7.9843 7.9843 8.6615 8.6615 9.2883 9.2883 10.3706 10.3706 10.7445 10.7445 11.3526 11.3526 11.5219 11.5219 14.2013 14.2013 15.8725 15.8725 16.0481 16.0481 16.2751 16.2751 k = 0.2147 0.3719 0.2795 ( 2692 PWs) bands (ev): -48.9565 -48.9565 -48.9482 -48.9482 -23.3466 -23.3466 -23.3118 -23.3118 -15.8566 -15.8566 -15.7622 -15.7622 -15.6524 -15.6524 -15.5569 -15.5569 -0.9817 -0.9817 -0.7097 -0.7097 0.6642 0.6642 7.2350 7.2350 7.7816 7.7816 7.9902 7.9902 8.6230 8.6230 9.2581 9.2581 10.3009 10.3009 10.8050 10.8050 11.3657 11.3657 11.5337 11.5337 14.2702 14.2702 15.8968 15.8968 16.1281 16.1281 16.2729 16.2729 k = 0.2090 0.3621 0.2795 ( 2684 PWs) bands (ev): -48.9569 -48.9569 -48.9482 -48.9482 -23.3456 -23.3456 -23.3097 -23.3097 -15.8498 -15.8498 -15.7592 -15.7592 -15.6496 -15.6496 -15.5536 -15.5536 -1.0117 -1.0117 -0.7473 -0.7473 0.6545 0.6545 7.2209 7.2209 7.8581 7.8581 7.9990 7.9990 8.5847 8.5847 9.2252 9.2252 10.2297 10.2297 10.8629 10.8629 11.3805 11.3805 11.5461 11.5461 14.3348 14.3348 15.9264 15.9264 16.1428 16.1428 16.3386 16.3386 k = 0.2034 0.3523 0.2795 ( 2684 PWs) bands (ev): -48.9574 -48.9574 -48.9483 -48.9483 -23.3446 -23.3446 -23.3075 -23.3075 -15.8430 -15.8430 -15.7558 -15.7558 -15.6467 -15.6467 -15.5503 -15.5503 -1.0430 -1.0430 -0.7863 -0.7863 0.6456 0.6456 7.2087 7.2087 7.9332 7.9332 8.0136 8.0136 8.5470 8.5470 9.1899 9.1899 10.1574 10.1574 10.9178 10.9178 11.3968 11.3968 11.5591 11.5591 14.3939 14.3939 15.9644 15.9644 16.1200 16.1200 16.4394 16.4394 k = 0.1977 0.3425 0.2795 ( 2680 PWs) bands (ev): -48.9578 -48.9578 -48.9483 -48.9483 -23.3436 -23.3436 -23.3053 -23.3053 -15.8361 -15.8361 -15.7520 -15.7520 -15.6436 -15.6436 -15.5471 -15.5471 -1.0756 -1.0756 -0.8267 -0.8267 0.6376 0.6376 7.1986 7.1986 7.9882 7.9882 8.0519 8.0519 8.5101 8.5101 9.1525 9.1525 10.0849 10.0849 10.9693 10.9693 11.4148 11.4148 11.5725 11.5725 14.4465 14.4465 16.0064 16.0064 16.0959 16.0959 16.5412 16.5412 k = 0.1921 0.3327 0.2795 ( 2692 PWs) bands (ev): -48.9583 -48.9583 -48.9484 -48.9484 -23.3426 -23.3426 -23.3032 -23.3032 -15.8294 -15.8294 -15.7478 -15.7478 -15.6405 -15.6405 -15.5440 -15.5440 -1.1093 -1.1093 -0.8682 -0.8682 0.6304 0.6304 7.1911 7.1911 8.0106 8.0106 8.1257 8.1257 8.4741 8.4741 9.1131 9.1131 10.0125 10.0125 11.0172 11.0172 11.4343 11.4343 11.5865 11.5865 14.4925 14.4925 16.0184 16.0184 16.1105 16.1105 16.6337 16.6337 k = 0.1864 0.3229 0.2795 ( 2692 PWs) bands (ev): -48.9588 -48.9588 -48.9485 -48.9485 -23.3415 -23.3415 -23.3009 -23.3009 -15.8225 -15.8225 -15.7431 -15.7431 -15.6372 -15.6372 -15.5409 -15.5409 -1.1440 -1.1440 -0.9109 -0.9109 0.6241 0.6241 7.1862 7.1862 8.0245 8.0245 8.2102 8.2102 8.4394 8.4394 9.0722 9.0722 9.9410 9.9410 11.0611 11.0611 11.4553 11.4553 11.6011 11.6011 14.5319 14.5319 15.9912 15.9912 16.1741 16.1741 16.7113 16.7113 k = 0.1808 0.3131 0.2795 ( 2692 PWs) bands (ev): -48.9592 -48.9592 -48.9486 -48.9486 -23.3404 -23.3404 -23.2985 -23.2985 -15.8158 -15.8158 -15.7380 -15.7380 -15.6338 -15.6338 -15.5379 -15.5379 -1.1796 -1.1796 -0.9544 -0.9544 0.6187 0.6187 7.1843 7.1843 8.0367 8.0367 8.2968 8.2968 8.4068 8.4068 9.0300 9.0300 9.8710 9.8710 11.1009 11.1009 11.4777 11.4777 11.6163 11.6163 14.5656 14.5656 15.9557 15.9557 16.2544 16.2544 16.7711 16.7711 k = 0.1751 0.3034 0.2795 ( 2692 PWs) bands (ev): -48.9597 -48.9597 -48.9487 -48.9487 -23.3392 -23.3392 -23.2961 -23.2961 -15.8092 -15.8092 -15.7324 -15.7324 -15.6301 -15.6301 -15.5350 -15.5350 -1.2161 -1.2161 -0.9986 -0.9986 0.6140 0.6140 7.1854 7.1854 8.0484 8.0484 8.3623 8.3623 8.3974 8.3974 8.9870 8.9870 9.8036 9.8036 11.1362 11.1362 11.5013 11.5013 11.6320 11.6320 14.5946 14.5946 15.9186 15.9186 16.3428 16.3428 16.8118 16.8118 k = 0.1695 0.2936 0.2795 ( 2700 PWs) bands (ev): -48.9602 -48.9602 -48.9488 -48.9488 -23.3381 -23.3381 -23.2938 -23.2938 -15.8029 -15.8029 -15.7266 -15.7266 -15.6263 -15.6263 -15.5322 -15.5322 -1.2533 -1.2533 -1.0435 -1.0435 0.6101 0.6101 7.1895 7.1895 8.0597 8.0597 8.3397 8.3397 8.4766 8.4766 8.9438 8.9438 9.7397 9.7397 11.1668 11.1668 11.5261 11.5261 11.6486 11.6486 14.6201 14.6201 15.8815 15.8815 16.4349 16.4349 16.8343 16.8343 k = 0.1638 0.2838 0.2795 ( 2704 PWs) bands (ev): -48.9607 -48.9607 -48.9489 -48.9489 -23.3369 -23.3369 -23.2914 -23.2914 -15.7968 -15.7968 -15.7203 -15.7203 -15.6222 -15.6222 -15.5296 -15.5296 -1.2910 -1.2910 -1.0887 -1.0887 0.6069 0.6069 7.1969 7.1969 8.0703 8.0703 8.3119 8.3119 8.5592 8.5592 8.9016 8.9016 9.6812 9.6812 11.1923 11.1923 11.5519 11.5519 11.6660 11.6660 14.6433 14.6433 15.8448 15.8448 16.5266 16.5266 16.8410 16.8410 k = 0.1582 0.2740 0.2795 ( 2704 PWs) bands (ev): -48.9611 -48.9611 -48.9491 -48.9491 -23.3357 -23.3357 -23.2889 -23.2889 -15.7910 -15.7910 -15.7136 -15.7136 -15.6178 -15.6178 -15.5270 -15.5270 -1.3293 -1.3293 -1.1342 -1.1342 0.6043 0.6043 7.2074 7.2074 8.0801 8.0801 8.2859 8.2859 8.6338 8.6338 8.8631 8.8631 9.6303 9.6303 11.2124 11.2124 11.5786 11.5786 11.6846 11.6846 14.6654 14.6654 15.8089 15.8089 16.6134 16.6134 16.8349 16.8349 k = 0.1525 0.2642 0.2795 ( 2704 PWs) bands (ev): -48.9616 -48.9616 -48.9492 -48.9492 -23.3345 -23.3345 -23.2864 -23.2864 -15.7855 -15.7855 -15.7067 -15.7067 -15.6132 -15.6132 -15.5244 -15.5244 -1.3678 -1.3678 -1.1797 -1.1797 0.6024 0.6024 7.2212 7.2212 8.0883 8.0883 8.2626 8.2626 8.6884 8.6884 8.8367 8.8367 9.5905 9.5905 11.2268 11.2268 11.6061 11.6061 11.7045 11.7045 14.6872 14.6872 15.7740 15.7740 16.6896 16.6896 16.8198 16.8198 k = 0.1469 0.2544 0.2795 ( 2708 PWs) bands (ev): -48.9621 -48.9621 -48.9493 -48.9493 -23.3333 -23.3333 -23.2840 -23.2840 -15.7803 -15.7803 -15.6994 -15.6994 -15.6084 -15.6084 -15.5220 -15.5220 -1.4066 -1.4066 -1.2251 -1.2251 0.6009 0.6009 7.2381 7.2381 8.0943 8.0943 8.2427 8.2427 8.7008 8.7008 8.8402 8.8402 9.5662 9.5662 11.2350 11.2350 11.6341 11.6341 11.7260 11.7260 14.7096 14.7096 15.7403 15.7403 16.7413 16.7413 16.8073 16.8073 k = 0.1412 0.2446 0.2795 ( 2712 PWs) bands (ev): -48.9625 -48.9625 -48.9495 -48.9495 -23.3321 -23.3321 -23.2816 -23.2816 -15.7755 -15.7755 -15.6920 -15.6920 -15.6033 -15.6033 -15.5197 -15.5197 -1.4455 -1.4455 -1.2703 -1.2703 0.6000 0.6000 7.2583 7.2583 8.0970 8.0970 8.2274 8.2274 8.6762 8.6762 8.8633 8.8633 9.5629 9.5629 11.2371 11.2371 11.6626 11.6626 11.7492 11.7492 14.7331 14.7331 15.7080 15.7080 16.7362 16.7362 16.8280 16.8280 k = 0.1356 0.2349 0.2795 ( 2704 PWs) bands (ev): -48.9630 -48.9630 -48.9496 -48.9496 -23.3308 -23.3308 -23.2790 -23.2790 -15.7709 -15.7709 -15.6843 -15.6843 -15.5979 -15.5979 -15.5175 -15.5175 -1.4842 -1.4842 -1.3150 -1.3150 0.5995 0.5995 7.2815 7.2815 8.0956 8.0956 8.2172 8.2172 8.6390 8.6390 8.8781 8.8781 9.5841 9.5841 11.2328 11.2328 11.6915 11.6915 11.7743 11.7743 14.7583 14.7583 15.6772 15.6772 16.7010 16.7010 16.8539 16.8539 k = 0.1299 0.2251 0.2795 ( 2700 PWs) bands (ev): -48.9634 -48.9634 -48.9497 -48.9497 -23.3295 -23.3295 -23.2766 -23.2766 -15.7667 -15.7667 -15.6765 -15.6765 -15.5922 -15.5922 -15.5155 -15.5155 -1.5228 -1.5228 -1.3592 -1.3592 0.5993 0.5993 7.3077 7.3077 8.0898 8.0898 8.2123 8.2123 8.5986 8.5986 8.8756 8.8756 9.6298 9.6298 11.2222 11.2222 11.7207 11.7207 11.8011 11.8011 14.7853 14.7853 15.6479 15.6479 16.6571 16.6571 16.8641 16.8641 k = 0.1243 0.2153 0.2795 ( 2704 PWs) bands (ev): -48.9639 -48.9639 -48.9499 -48.9499 -23.3283 -23.3283 -23.2743 -23.2743 -15.7628 -15.7628 -15.6687 -15.6687 -15.5864 -15.5864 -15.5136 -15.5136 -1.5610 -1.5610 -1.4026 -1.4026 0.5995 0.5995 7.3368 7.3368 8.0807 8.0807 8.2114 8.2114 8.5580 8.5580 8.8572 8.8572 9.6958 9.6958 11.2054 11.2054 11.7503 11.7503 11.8295 11.8295 14.8143 14.8143 15.6205 15.6205 16.6082 16.6082 16.8567 16.8567 k = 0.1186 0.2055 0.2795 ( 2702 PWs) bands (ev): -48.9643 -48.9643 -48.9500 -48.9500 -23.3270 -23.3270 -23.2720 -23.2720 -15.7593 -15.7593 -15.6608 -15.6608 -15.5804 -15.5804 -15.5118 -15.5118 -1.5987 -1.5987 -1.4452 -1.4452 0.6000 0.6000 7.3687 7.3687 8.0695 8.0695 8.2128 8.2128 8.5184 8.5184 8.8274 8.8274 9.7767 9.7767 11.1828 11.1828 11.7801 11.7801 11.8593 11.8593 14.8454 14.8454 15.5948 15.5948 16.5558 16.5558 16.8337 16.8337 k = 0.1130 0.1957 0.2795 ( 2698 PWs) bands (ev): -48.9647 -48.9647 -48.9502 -48.9502 -23.3258 -23.3258 -23.2696 -23.2696 -15.7560 -15.7560 -15.6529 -15.6529 -15.5743 -15.5743 -15.5101 -15.5101 -1.6358 -1.6358 -1.4867 -1.4867 0.6006 0.6006 7.4033 7.4033 8.0575 8.0575 8.2148 8.2148 8.4807 8.4807 8.7905 8.7905 9.8675 9.8675 11.1546 11.1546 11.8103 11.8103 11.8903 11.8903 14.8784 14.8784 15.5711 15.5711 16.5009 16.5009 16.7983 16.7983 k = 0.1073 0.1859 0.2795 ( 2698 PWs) bands (ev): -48.9651 -48.9651 -48.9503 -48.9503 -23.3246 -23.3246 -23.2674 -23.2674 -15.7531 -15.7531 -15.6451 -15.6451 -15.5680 -15.5680 -15.5086 -15.5086 -1.6720 -1.6720 -1.5271 -1.5271 0.6015 0.6015 7.4403 7.4403 8.0456 8.0456 8.2160 8.2160 8.4460 8.4460 8.7496 8.7496 9.9648 9.9648 11.1214 11.1214 11.8406 11.8406 11.9221 11.9221 14.9132 14.9132 15.5495 15.5495 16.4441 16.4441 16.7539 16.7539 k = 0.1017 0.1761 0.2795 ( 2704 PWs) bands (ev): -48.9655 -48.9655 -48.9505 -48.9505 -23.3235 -23.3235 -23.2653 -23.2653 -15.7505 -15.7505 -15.6375 -15.6375 -15.5617 -15.5617 -15.5072 -15.5072 -1.7074 -1.7074 -1.5663 -1.5663 0.6025 0.6025 7.4796 7.4796 8.0341 8.0341 8.2147 8.2147 8.4154 8.4154 8.7067 8.7067 10.0661 10.0661 11.0837 11.0837 11.8710 11.8710 11.9546 11.9546 14.9497 14.9497 15.5300 15.5300 16.3861 16.3861 16.7035 16.7035 k = 0.0960 0.1664 0.2795 ( 2696 PWs) bands (ev): -48.9659 -48.9659 -48.9506 -48.9506 -23.3224 -23.3224 -23.2631 -23.2631 -15.7480 -15.7480 -15.6298 -15.6298 -15.5553 -15.5553 -15.5059 -15.5059 -1.7418 -1.7418 -1.6040 -1.6040 0.6036 0.6036 7.5210 7.5210 8.0235 8.0235 8.2095 8.2095 8.3902 8.3902 8.6634 8.6634 10.1695 10.1695 11.0418 11.0418 11.9014 11.9014 11.9875 11.9875 14.9875 14.9875 15.5128 15.5128 16.3276 16.3276 16.6496 16.6496 k = 0.0904 0.1566 0.2795 ( 2700 PWs) bands (ev): -48.9663 -48.9663 -48.9508 -48.9508 -23.3213 -23.3213 -23.2611 -23.2611 -15.7459 -15.7459 -15.6224 -15.6224 -15.5491 -15.5491 -15.5048 -15.5048 -1.7749 -1.7749 -1.6403 -1.6403 0.6047 0.6047 7.5641 7.5641 8.0139 8.0139 8.1995 8.1995 8.3713 8.3713 8.6206 8.6206 10.2737 10.2737 10.9965 10.9965 11.9316 11.9316 12.0205 12.0205 15.0266 15.0266 15.4980 15.4980 16.2691 16.2691 16.5940 16.5940 k = 0.0847 0.1468 0.2795 ( 2702 PWs) bands (ev): -48.9666 -48.9666 -48.9509 -48.9509 -23.3203 -23.3203 -23.2592 -23.2592 -15.7439 -15.7439 -15.6152 -15.6152 -15.5431 -15.5431 -15.5037 -15.5037 -1.8067 -1.8067 -1.6749 -1.6749 0.6060 0.6060 7.6087 7.6087 8.0053 8.0053 8.1843 8.1843 8.3587 8.3587 8.5789 8.5789 10.3777 10.3777 10.9483 10.9483 11.9616 11.9616 12.0535 12.0535 15.0665 15.0665 15.4857 15.4857 16.2111 16.2111 16.5383 16.5383 k = 0.0791 0.1370 0.2795 ( 2706 PWs) bands (ev): -48.9670 -48.9670 -48.9510 -48.9510 -23.3193 -23.3193 -23.2575 -23.2575 -15.7422 -15.7422 -15.6082 -15.6082 -15.5372 -15.5372 -15.5028 -15.5028 -1.8371 -1.8371 -1.7078 -1.7078 0.6072 0.6072 7.6544 7.6544 7.9979 7.9979 8.1652 8.1652 8.3514 8.3514 8.5390 8.5390 10.4804 10.4804 10.8978 10.8978 11.9910 11.9910 12.0862 12.0862 15.1071 15.1071 15.4759 15.4759 16.1543 16.1543 16.4833 16.4833 k = 0.0734 0.1272 0.2795 ( 2698 PWs) bands (ev): -48.9673 -48.9673 -48.9511 -48.9511 -23.3182 -23.3182 -23.2557 -23.2557 -15.7406 -15.7406 -15.6013 -15.6013 -15.5315 -15.5315 -15.5019 -15.5019 -1.8659 -1.8659 -1.7389 -1.7389 0.6084 0.6084 7.7008 7.7008 7.9916 7.9916 8.1437 8.1437 8.3477 8.3477 8.5011 8.5011 10.5809 10.5809 10.8457 10.8457 12.0198 12.0198 12.1184 12.1184 15.1480 15.1480 15.4689 15.4689 16.0991 16.0991 16.4301 16.4301 k = 0.0678 0.1174 0.2795 ( 2698 PWs) bands (ev): -48.9676 -48.9676 -48.9513 -48.9513 -23.3173 -23.3173 -23.2540 -23.2540 -15.7392 -15.7392 -15.5948 -15.5948 -15.5263 -15.5263 -15.5010 -15.5010 -1.8931 -1.8931 -1.7681 -1.7681 0.6096 0.6096 7.7472 7.7472 7.9868 7.9868 8.1216 8.1216 8.3459 8.3459 8.4656 8.4656 10.6786 10.6786 10.7927 10.7927 12.0477 12.0477 12.1499 12.1499 15.1890 15.1890 15.4648 15.4648 16.0460 16.0460 16.3789 16.3789 k = 0.0621 0.1076 0.2795 ( 2694 PWs) bands (ev): -48.9678 -48.9678 -48.9514 -48.9514 -23.3164 -23.3164 -23.2525 -23.2525 -15.7380 -15.7380 -15.5885 -15.5885 -15.5215 -15.5215 -15.5001 -15.5001 -1.9185 -1.9185 -1.7952 -1.7952 0.6108 0.6108 7.7928 7.7928 7.9835 7.9835 8.0999 8.0999 8.3448 8.3448 8.4329 8.4329 10.7391 10.7391 10.7727 10.7727 12.0745 12.0745 12.1805 12.1805 15.2299 15.2299 15.4637 15.4637 15.9956 15.9956 16.3303 16.3303 k = 0.0565 0.0979 0.2795 ( 2698 PWs) bands (ev): -48.9681 -48.9681 -48.9515 -48.9515 -23.3156 -23.3156 -23.2512 -23.2512 -15.7369 -15.7369 -15.5827 -15.5827 -15.5174 -15.5174 -15.4990 -15.4990 -1.9420 -1.9420 -1.8204 -1.8204 0.6119 0.6119 7.8362 7.8362 7.9823 7.9823 8.0797 8.0797 8.3431 8.3431 8.4035 8.4035 10.6865 10.6865 10.8618 10.8618 12.0999 12.0999 12.2100 12.2100 15.2703 15.2703 15.4658 15.4658 15.9483 15.9483 16.2844 16.2844 k = 0.0508 0.0881 0.2795 ( 2706 PWs) bands (ev): -48.9683 -48.9683 -48.9516 -48.9516 -23.3150 -23.3150 -23.2500 -23.2500 -15.7360 -15.7360 -15.5772 -15.5772 -15.5142 -15.5142 -15.4977 -15.4977 -1.9636 -1.9636 -1.8433 -1.8433 0.6129 0.6129 7.8749 7.8749 7.9846 7.9846 8.0625 8.0625 8.3390 8.3390 8.3789 8.3789 10.6350 10.6350 10.9458 10.9458 12.1239 12.1239 12.2379 12.2379 15.3098 15.3098 15.4713 15.4713 15.9047 15.9047 16.2413 16.2413 k = 0.0452 0.0783 0.2795 ( 2714 PWs) bands (ev): -48.9685 -48.9685 -48.9517 -48.9517 -23.3144 -23.3144 -23.2489 -23.2489 -15.7353 -15.7353 -15.5721 -15.5721 -15.5118 -15.5118 -15.4960 -15.4960 -1.9831 -1.9831 -1.8640 -1.8640 0.6138 0.6138 7.9046 7.9046 7.9912 7.9912 8.0511 8.0511 8.3293 8.3293 8.3618 8.3618 10.5856 10.5856 11.0235 11.0235 12.1461 12.1461 12.2642 12.2642 15.3478 15.3478 15.4805 15.4805 15.8654 15.8654 16.2009 16.2009 k = 0.0395 0.0685 0.2795 ( 2714 PWs) bands (ev): -48.9687 -48.9687 -48.9517 -48.9517 -23.3138 -23.3138 -23.2479 -23.2479 -15.7346 -15.7346 -15.5673 -15.5673 -15.5103 -15.5103 -15.4939 -15.4939 -2.0005 -2.0005 -1.8825 -1.8825 0.6147 0.6147 7.9219 7.9219 7.9968 7.9968 8.0540 8.0540 8.3138 8.3138 8.3524 8.3524 10.5391 10.5391 11.0943 11.0943 12.1664 12.1664 12.2884 12.2884 15.3837 15.3837 15.4935 15.4935 15.8311 15.8311 16.1628 16.1628 k = 0.0339 0.0587 0.2795 ( 2714 PWs) bands (ev): -48.9689 -48.9689 -48.9518 -48.9518 -23.3133 -23.3133 -23.2470 -23.2470 -15.7340 -15.7340 -15.5631 -15.5631 -15.5094 -15.5094 -15.4916 -15.4916 -2.0157 -2.0157 -1.8986 -1.8986 0.6154 0.6154 7.9293 7.9293 7.9936 7.9936 8.0759 8.0759 8.2972 8.2972 8.3456 8.3456 10.4965 10.4965 11.1574 11.1574 12.1846 12.1846 12.3104 12.3104 15.4167 15.4167 15.5100 15.5100 15.8030 15.8030 16.1268 16.1268 k = 0.0282 0.0489 0.2795 ( 2714 PWs) bands (ev): -48.9690 -48.9690 -48.9519 -48.9519 -23.3129 -23.3129 -23.2462 -23.2462 -15.7335 -15.7335 -15.5593 -15.5593 -15.5091 -15.5091 -15.4894 -15.4894 -2.0287 -2.0287 -1.9123 -1.9123 0.6161 0.6161 7.9315 7.9315 7.9865 7.9865 8.1068 8.1068 8.2822 8.2822 8.3386 8.3386 10.4585 10.4585 11.2121 11.2121 12.2003 12.2003 12.3297 12.3297 15.4464 15.4464 15.5287 15.5287 15.7823 15.7823 16.0922 16.0922 k = 0.0226 0.0391 0.2795 ( 2710 PWs) bands (ev): -48.9691 -48.9691 -48.9519 -48.9519 -23.3125 -23.3125 -23.2455 -23.2455 -15.7332 -15.7332 -15.5561 -15.5561 -15.5090 -15.5090 -15.4875 -15.4875 -2.0394 -2.0394 -1.9236 -1.9236 0.6166 0.6166 7.9314 7.9314 7.9797 7.9797 8.1388 8.1388 8.2702 8.2702 8.3301 8.3301 10.4260 10.4260 11.2577 11.2577 12.2136 12.2136 12.3460 12.3460 15.4730 15.4730 15.5468 15.5468 15.7712 15.7712 16.0577 16.0577 k = 0.0169 0.0294 0.2795 ( 2706 PWs) bands (ev): -48.9692 -48.9692 -48.9520 -48.9520 -23.3121 -23.3121 -23.2450 -23.2450 -15.7328 -15.7328 -15.5534 -15.5534 -15.5091 -15.5091 -15.4859 -15.4859 -2.0477 -2.0477 -1.9324 -1.9324 0.6170 0.6170 7.9302 7.9302 7.9744 7.9744 8.1683 8.1683 8.2620 8.2620 8.3196 8.3196 10.3999 10.3999 11.2938 11.2938 12.2241 12.2241 12.3591 12.3591 15.4967 15.4967 15.5602 15.5602 15.7717 15.7717 16.0185 16.0185 k = 0.0113 0.0196 0.2795 ( 2702 PWs) bands (ev): -48.9693 -48.9693 -48.9520 -48.9520 -23.3119 -23.3119 -23.2446 -23.2446 -15.7326 -15.7326 -15.5515 -15.5515 -15.5092 -15.5092 -15.4846 -15.4846 -2.0537 -2.0537 -1.9387 -1.9387 0.6173 0.6173 7.9287 7.9287 7.9709 7.9709 8.1924 8.1924 8.2593 8.2593 8.3070 8.3070 10.3806 10.3806 11.3198 11.3198 12.2317 12.2317 12.3687 12.3687 15.5176 15.5176 15.5663 15.5663 15.7840 15.7840 15.9728 15.9728 k = 0.0056 0.0098 0.2795 ( 2690 PWs) bands (ev): -48.9693 -48.9693 -48.9520 -48.9520 -23.3116 -23.3116 -23.2443 -23.2443 -15.7324 -15.7324 -15.5502 -15.5502 -15.5093 -15.5093 -15.4839 -15.4839 -2.0573 -2.0573 -1.9425 -1.9425 0.6175 0.6175 7.9276 7.9276 7.9688 7.9688 8.2073 8.2073 8.2644 8.2644 8.2924 8.2924 10.3689 10.3689 11.3356 11.3356 12.2363 12.2363 12.3746 12.3746 15.5344 15.5344 15.5654 15.5654 15.8032 15.8032 15.9328 15.9328 k = 0.0000 0.0000 0.2795 ( 2702 PWs) bands (ev): -48.9693 -48.9693 -48.9520 -48.9520 -23.3117 -23.3117 -23.2443 -23.2443 -15.7324 -15.7324 -15.5499 -15.5499 -15.5094 -15.5094 -15.4837 -15.4837 -2.0585 -2.0585 -1.9437 -1.9437 0.6176 0.6176 7.9272 7.9272 7.9682 7.9682 8.2119 8.2119 8.2763 8.2763 8.2779 8.2779 10.3649 10.3649 11.3409 11.3409 12.2378 12.2378 12.3765 12.3765 15.5424 15.5424 15.5625 15.5625 15.8146 15.8146 15.9145 15.9145 k = 0.5000 0.2887 0.2795 ( 2696 PWs) bands (ev): -48.9539 -48.9539 -48.9481 -48.9481 -23.3480 -23.3480 -23.3269 -23.3269 -15.8675 -15.8675 -15.8564 -15.8564 -15.6338 -15.6338 -15.5476 -15.5476 -0.7840 -0.7840 -0.6006 -0.6006 0.7084 0.7084 6.5612 6.5612 7.6722 7.6722 8.8327 8.8327 9.0911 9.0911 9.8480 9.8480 10.0140 10.0140 10.2140 10.2140 11.1391 11.1391 11.9539 11.9539 14.5029 14.5029 15.0246 15.0246 15.5981 15.5981 16.2879 16.2879 k = 0.5000 0.2887 0.2683 ( 2696 PWs) bands (ev): -48.9539 -48.9539 -48.9481 -48.9481 -23.3480 -23.3480 -23.3269 -23.3269 -15.8675 -15.8675 -15.8564 -15.8564 -15.6339 -15.6339 -15.5476 -15.5476 -0.7842 -0.7842 -0.6005 -0.6005 0.7084 0.7084 6.5631 6.5631 7.6711 7.6711 8.8331 8.8331 9.0883 9.0883 9.8477 9.8477 10.0165 10.0165 10.2164 10.2164 11.1374 11.1374 11.9498 11.9498 14.5060 14.5060 15.0182 15.0182 15.6062 15.6062 16.2898 16.2898 k = 0.5000 0.2887 0.2571 ( 2692 PWs) bands (ev): -48.9539 -48.9539 -48.9481 -48.9481 -23.3480 -23.3480 -23.3269 -23.3269 -15.8675 -15.8675 -15.8563 -15.8563 -15.6340 -15.6340 -15.5476 -15.5476 -0.7847 -0.7847 -0.6003 -0.6003 0.7086 0.7086 6.5689 6.5689 7.6678 7.6678 8.8338 8.8338 9.0809 9.0809 9.8468 9.8468 10.0237 10.0237 10.2238 10.2238 11.1322 11.1322 11.9378 11.9378 14.5151 14.5151 15.0003 15.0003 15.6293 15.6293 16.2953 16.2953 k = 0.5000 0.2887 0.2459 ( 2692 PWs) bands (ev): -48.9539 -48.9539 -48.9481 -48.9481 -23.3480 -23.3480 -23.3268 -23.3268 -15.8674 -15.8674 -15.8563 -15.8563 -15.6342 -15.6342 -15.5475 -15.5475 -0.7856 -0.7856 -0.6001 -0.6001 0.7089 0.7089 6.5785 6.5785 7.6625 7.6625 8.8329 8.8329 9.0710 9.0710 9.8457 9.8457 10.0346 10.0346 10.2360 10.2360 11.1237 11.1237 11.9182 11.9182 14.5303 14.5303 14.9738 14.9738 15.6640 15.6640 16.3043 16.3043 k = 0.5000 0.2887 0.2347 ( 2686 PWs) bands (ev): -48.9539 -48.9539 -48.9481 -48.9481 -23.3480 -23.3480 -23.3268 -23.3268 -15.8672 -15.8672 -15.8562 -15.8562 -15.6344 -15.6344 -15.5474 -15.5474 -0.7868 -0.7868 -0.5997 -0.5997 0.7093 0.7093 6.5918 6.5918 7.6552 7.6552 8.8276 8.8276 9.0625 9.0625 9.8446 9.8446 10.0478 10.0478 10.2531 10.2531 11.1120 11.1120 11.8913 11.8913 14.5511 14.5511 14.9422 14.9422 15.7064 15.7064 16.3162 16.3162 k = 0.5000 0.2887 0.2236 ( 2686 PWs) bands (ev): -48.9539 -48.9539 -48.9481 -48.9481 -23.3480 -23.3480 -23.3267 -23.3267 -15.8670 -15.8670 -15.8561 -15.8561 -15.6348 -15.6348 -15.5473 -15.5473 -0.7884 -0.7884 -0.5993 -0.5993 0.7099 0.7099 6.6089 6.6089 7.6464 7.6464 8.8142 8.8142 9.0598 9.0598 9.8436 9.8436 10.0624 10.0624 10.2746 10.2746 11.0972 11.0972 11.8577 11.8577 14.5773 14.5773 14.9085 14.9085 15.7533 15.7533 16.3303 16.3303 k = 0.5000 0.2887 0.2124 ( 2680 PWs) bands (ev): -48.9539 -48.9539 -48.9481 -48.9481 -23.3479 -23.3479 -23.3267 -23.3267 -15.8668 -15.8668 -15.8560 -15.8560 -15.6352 -15.6352 -15.5472 -15.5472 -0.7902 -0.7902 -0.5988 -0.5988 0.7105 0.7105 6.6296 6.6296 7.6361 7.6361 8.7903 8.7903 9.0662 9.0662 9.8428 9.8428 10.0774 10.0774 10.2997 10.2997 11.0795 11.0795 11.8184 11.8184 14.6081 14.6081 14.8749 14.8749 15.8019 15.8019 16.3456 16.3456 k = 0.5000 0.2887 0.2012 ( 2680 PWs) bands (ev): -48.9539 -48.9539 -48.9481 -48.9481 -23.3479 -23.3479 -23.3267 -23.3267 -15.8665 -15.8665 -15.8559 -15.8559 -15.6356 -15.6356 -15.5471 -15.5471 -0.7922 -0.7922 -0.5982 -0.5982 0.7112 0.7112 6.6539 6.6539 7.6247 7.6247 8.7561 8.7561 9.0823 9.0823 9.8423 9.8423 10.0927 10.0927 10.3275 10.3275 11.0592 11.0592 11.7741 11.7741 14.6421 14.6421 14.8438 14.8438 15.8501 15.8501 16.3609 16.3609 k = 0.5000 0.2887 0.1900 ( 2676 PWs) bands (ev): -48.9539 -48.9539 -48.9481 -48.9481 -23.3479 -23.3479 -23.3266 -23.3266 -15.8662 -15.8662 -15.8558 -15.8558 -15.6361 -15.6361 -15.5470 -15.5470 -0.7945 -0.7945 -0.5976 -0.5976 0.7120 0.7120 6.6816 6.6816 7.6124 7.6124 8.7133 8.7133 9.1069 9.1069 9.8420 9.8420 10.1081 10.1081 10.3565 10.3565 11.0364 11.0364 11.7259 11.7259 14.6760 14.6760 14.8192 14.8192 15.8964 15.8964 16.3751 16.3751 k = 0.5000 0.2887 0.1788 ( 2680 PWs) bands (ev): -48.9539 -48.9539 -48.9481 -48.9481 -23.3480 -23.3480 -23.3266 -23.3266 -15.8659 -15.8659 -15.8557 -15.8557 -15.6367 -15.6367 -15.5469 -15.5469 -0.7969 -0.7969 -0.5970 -0.5970 0.7129 0.7129 6.7128 6.7128 7.5996 7.5996 8.6641 8.6641 9.1383 9.1383 9.8419 9.8419 10.1237 10.1237 10.3856 10.3856 11.0115 11.0115 11.6749 11.6749 14.6997 14.6997 14.8112 14.8112 15.9394 15.9394 16.3874 16.3874 k = 0.5000 0.2887 0.1677 ( 2680 PWs) bands (ev): -48.9539 -48.9539 -48.9481 -48.9481 -23.3481 -23.3481 -23.3265 -23.3265 -15.8656 -15.8656 -15.8555 -15.8555 -15.6373 -15.6373 -15.5467 -15.5467 -0.7994 -0.7994 -0.5964 -0.5964 0.7138 0.7138 6.7472 6.7472 7.5864 7.5864 8.6101 8.6101 9.1751 9.1751 9.8420 9.8420 10.1397 10.1397 10.4131 10.4131 10.9846 10.9846 11.6225 11.6225 14.6999 14.6999 14.8332 14.8332 15.9777 15.9777 16.3975 16.3975 k = 0.5000 0.2887 0.1565 ( 2680 PWs) bands (ev): -48.9539 -48.9539 -48.9481 -48.9481 -23.3481 -23.3481 -23.3265 -23.3265 -15.8653 -15.8653 -15.8554 -15.8554 -15.6379 -15.6379 -15.5466 -15.5466 -0.8020 -0.8020 -0.5958 -0.5958 0.7148 0.7148 6.7847 6.7847 7.5731 7.5731 8.5526 8.5526 9.2164 9.2164 9.8422 9.8422 10.1562 10.1562 10.4378 10.4378 10.9561 10.9561 11.5698 11.5698 14.6839 14.6839 14.8774 14.8774 16.0098 16.0098 16.4064 16.4064 k = 0.5000 0.2887 0.1453 ( 2684 PWs) bands (ev): -48.9540 -48.9540 -48.9481 -48.9481 -23.3482 -23.3482 -23.3265 -23.3265 -15.8650 -15.8650 -15.8553 -15.8553 -15.6386 -15.6386 -15.5465 -15.5465 -0.8046 -0.8046 -0.5952 -0.5952 0.7158 0.7158 6.8252 6.8252 7.5599 7.5599 8.4925 8.4925 9.2612 9.2612 9.8427 9.8427 10.1733 10.1733 10.4583 10.4583 10.9262 10.9262 11.5185 11.5185 14.6634 14.6634 14.9320 14.9320 16.0338 16.0338 16.4160 16.4160 k = 0.5000 0.2887 0.1341 ( 2684 PWs) bands (ev): -48.9540 -48.9540 -48.9481 -48.9481 -23.3482 -23.3482 -23.3264 -23.3264 -15.8647 -15.8647 -15.8552 -15.8552 -15.6392 -15.6392 -15.5464 -15.5464 -0.8072 -0.8072 -0.5946 -0.5946 0.7168 0.7168 6.8685 6.8685 7.5471 7.5471 8.4305 8.4305 9.3092 9.3092 9.8432 9.8432 10.1910 10.1910 10.4730 10.4730 10.8951 10.8951 11.4699 11.4699 14.6426 14.6426 14.9922 14.9922 16.0479 16.0479 16.4291 16.4291 k = 0.5000 0.2887 0.1230 ( 2690 PWs) bands (ev): -48.9540 -48.9540 -48.9481 -48.9481 -23.3484 -23.3484 -23.3264 -23.3264 -15.8643 -15.8643 -15.8551 -15.8551 -15.6399 -15.6399 -15.5463 -15.5463 -0.8097 -0.8097 -0.5941 -0.5941 0.7178 0.7178 6.9144 6.9144 7.5347 7.5347 8.3670 8.3670 9.3598 9.3598 9.8439 9.8439 10.2094 10.2094 10.4807 10.4807 10.8632 10.8632 11.4255 11.4255 14.6228 14.6228 15.0563 15.0563 16.0511 16.0511 16.4482 16.4482 k = 0.5000 0.2887 0.1118 ( 2690 PWs) bands (ev): -48.9540 -48.9540 -48.9481 -48.9481 -23.3484 -23.3484 -23.3263 -23.3263 -15.8640 -15.8640 -15.8550 -15.8550 -15.6405 -15.6405 -15.5461 -15.5461 -0.8122 -0.8122 -0.5936 -0.5936 0.7188 0.7188 6.9626 6.9626 7.5229 7.5229 8.3026 8.3026 9.4127 9.4127 9.8448 9.8448 10.2283 10.2283 10.4804 10.4804 10.8305 10.8305 11.3866 11.3866 14.6046 14.6046 15.1233 15.1233 16.0439 16.0439 16.4742 16.4742 k = 0.5000 0.2887 0.1006 ( 2686 PWs) bands (ev): -48.9540 -48.9540 -48.9481 -48.9481 -23.3484 -23.3484 -23.3263 -23.3263 -15.8636 -15.8636 -15.8549 -15.8549 -15.6411 -15.6411 -15.5460 -15.5460 -0.8145 -0.8145 -0.5931 -0.5931 0.7197 0.7197 7.0129 7.0129 7.5119 7.5119 8.2376 8.2376 9.4674 9.4674 9.8458 9.8458 10.2475 10.2475 10.4716 10.4716 10.7975 10.7975 11.3541 11.3541 14.5880 14.5880 15.1925 15.1925 16.0283 16.0283 16.5063 16.5063 k = 0.5000 0.2887 0.0894 ( 2682 PWs) bands (ev): -48.9540 -48.9540 -48.9481 -48.9481 -23.3485 -23.3485 -23.3261 -23.3261 -15.8632 -15.8632 -15.8548 -15.8548 -15.6416 -15.6416 -15.5458 -15.5458 -0.8167 -0.8167 -0.5927 -0.5927 0.7206 0.7206 7.0651 7.0651 7.5018 7.5018 8.1724 8.1724 9.5237 9.5237 9.8471 9.8471 10.2663 10.2663 10.4546 10.4546 10.7642 10.7642 11.3285 11.3285 14.5732 14.5732 15.2631 15.2631 16.0071 16.0071 16.5408 16.5408 k = 0.5000 0.2887 0.0782 ( 2682 PWs) bands (ev): -48.9540 -48.9540 -48.9481 -48.9481 -23.3485 -23.3485 -23.3261 -23.3261 -15.8629 -15.8629 -15.8548 -15.8548 -15.6421 -15.6421 -15.5457 -15.5457 -0.8187 -0.8187 -0.5924 -0.5924 0.7214 0.7214 7.1187 7.1187 7.4926 7.4926 8.1073 8.1073 9.5811 9.5811 9.8489 9.8489 10.2831 10.2831 10.4314 10.4314 10.7309 10.7309 11.3093 11.3093 14.5602 14.5602 15.3347 15.3347 15.9825 15.9825 16.5512 16.5512 k = 0.5000 0.2887 0.0671 ( 2682 PWs) bands (ev): -48.9540 -48.9540 -48.9481 -48.9481 -23.3485 -23.3485 -23.3261 -23.3261 -15.8626 -15.8626 -15.8547 -15.8547 -15.6426 -15.6426 -15.5456 -15.5456 -0.8205 -0.8205 -0.5921 -0.5921 0.7222 0.7222 7.1733 7.1733 7.4844 7.4844 8.0430 8.0430 9.6389 9.6389 9.8515 9.8515 10.2929 10.2929 10.4079 10.4079 10.6979 10.6979 11.2961 11.2961 14.5490 14.5490 15.4063 15.4063 15.9568 15.9568 16.5042 16.5042 k = 0.5000 0.2887 0.0559 ( 2678 PWs) bands (ev): -48.9540 -48.9540 -48.9481 -48.9481 -23.3486 -23.3486 -23.3260 -23.3260 -15.8623 -15.8623 -15.8547 -15.8547 -15.6430 -15.6430 -15.5455 -15.5455 -0.8220 -0.8220 -0.5918 -0.5918 0.7228 0.7228 7.2281 7.2281 7.4772 7.4772 7.9801 7.9801 9.6959 9.6959 9.8559 9.8559 10.2846 10.2846 10.3962 10.3962 10.6652 10.6652 11.2875 11.2875 14.5396 14.5396 15.4771 15.4771 15.9314 15.9314 16.4449 16.4449 k = 0.5000 0.2887 0.0447 ( 2676 PWs) bands (ev): -48.9540 -48.9540 -48.9480 -48.9480 -23.3485 -23.3485 -23.3259 -23.3259 -15.8621 -15.8621 -15.8546 -15.8546 -15.6433 -15.6433 -15.5455 -15.5455 -0.8233 -0.8233 -0.5916 -0.5916 0.7234 0.7234 7.2822 7.2822 7.4710 7.4710 7.9197 7.9197 9.7489 9.7489 9.8649 9.8649 10.2527 10.2527 10.4034 10.4034 10.6330 10.6330 11.2824 11.2824 14.5318 14.5318 15.5457 15.5457 15.9070 15.9070 16.3861 16.3861 k = 0.5000 0.2887 0.0335 ( 2684 PWs) bands (ev): -48.9540 -48.9540 -48.9481 -48.9481 -23.3486 -23.3486 -23.3260 -23.3260 -15.8619 -15.8619 -15.8547 -15.8547 -15.6436 -15.6436 -15.5455 -15.5455 -0.8244 -0.8244 -0.5914 -0.5914 0.7238 0.7238 7.3338 7.3338 7.4656 7.4656 7.8637 7.8637 9.7904 9.7904 9.8858 9.8858 10.2061 10.2061 10.4216 10.4216 10.6018 10.6018 11.2797 11.2797 14.5258 14.5258 15.6103 15.6103 15.8837 15.8837 16.3321 16.3321 k = 0.5000 0.2887 0.0224 ( 2688 PWs) bands (ev): -48.9540 -48.9540 -48.9481 -48.9481 -23.3487 -23.3487 -23.3260 -23.3260 -15.8618 -15.8618 -15.8547 -15.8547 -15.6438 -15.6438 -15.5455 -15.5455 -0.8251 -0.8251 -0.5913 -0.5913 0.7241 0.7241 7.3802 7.3802 7.4606 7.4606 7.8154 7.8154 9.8124 9.8124 9.9261 9.9261 10.1526 10.1526 10.4438 10.4438 10.5722 10.5722 11.2784 11.2784 14.5216 14.5216 15.6681 15.6681 15.8614 15.8614 16.2872 16.2872 k = 0.5000 0.2887 0.0112 ( 2696 PWs) bands (ev): -48.9540 -48.9540 -48.9481 -48.9481 -23.3488 -23.3488 -23.3261 -23.3261 -15.8618 -15.8618 -15.8547 -15.8547 -15.6440 -15.6440 -15.5455 -15.5455 -0.8255 -0.8255 -0.5913 -0.5913 0.7243 0.7243 7.4169 7.4169 7.4543 7.4543 7.7807 7.7807 9.8208 9.8208 9.9792 9.9792 10.0955 10.0955 10.4659 10.4659 10.5461 10.5461 11.2780 11.2780 14.5190 14.5190 15.7134 15.7134 15.8407 15.8407 16.2566 16.2566 k = 0.5000 0.2887-0.0000 ( 2708 PWs) bands (ev): -48.9540 -48.9540 -48.9481 -48.9481 -23.3489 -23.3489 -23.3262 -23.3262 -15.8618 -15.8618 -15.8548 -15.8548 -15.6441 -15.6441 -15.5456 -15.5456 -0.8257 -0.8257 -0.5913 -0.5913 0.7244 0.7244 7.4363 7.4363 7.4465 7.4465 7.7677 7.7677 9.8230 9.8230 10.0354 10.0354 10.0385 10.0385 10.4778 10.4778 10.5330 10.5330 11.2779 11.2779 14.5182 14.5182 15.7331 15.7331 15.8300 15.8300 16.2456 16.2456 k = 0.3333 0.5774-0.0000 ( 2676 PWs) bands (ev): -48.9498 -48.9498 -48.9498 -48.9498 -23.3568 -23.3568 -23.3317 -23.3317 -15.9237 -15.9237 -15.7509 -15.7509 -15.7066 -15.7066 -15.6085 -15.6085 -0.7157 -0.7157 -0.3500 -0.3500 0.8611 0.8611 8.0845 8.0845 8.0945 8.0945 8.3428 8.3428 8.3431 8.3431 8.6880 8.6880 9.3099 9.3099 10.7204 10.7204 10.7401 10.7401 11.6290 11.6290 13.2057 13.2057 15.3691 15.3691 15.6351 15.6351 17.5576 17.5577 k = 0.3333 0.5774 0.0112 ( 2679 PWs) bands (ev): -48.9498 -48.9498 -48.9498 -48.9498 -23.3568 -23.3568 -23.3317 -23.3317 -15.9237 -15.9237 -15.7509 -15.7509 -15.7066 -15.7066 -15.6085 -15.6085 -0.7156 -0.7156 -0.3499 -0.3499 0.8611 0.8611 8.0696 8.0696 8.0781 8.0781 8.3572 8.3572 8.3589 8.3589 8.6875 8.6875 9.3118 9.3118 10.7222 10.7222 10.7419 10.7419 11.6273 11.6273 13.2063 13.2063 15.3557 15.3557 15.6504 15.6504 17.5538 17.5538 k = 0.3333 0.5774 0.0224 ( 2697 PWs) bands (ev): -48.9498 -48.9498 -48.9498 -48.9498 -23.3570 -23.3570 -23.3319 -23.3319 -15.9239 -15.9239 -15.7509 -15.7509 -15.7067 -15.7067 -15.6086 -15.6086 -0.7154 -0.7154 -0.3497 -0.3497 0.8611 0.8611 8.0322 8.0322 8.0378 8.0378 8.3921 8.3921 8.3986 8.3986 8.6863 8.6863 9.3175 9.3175 10.7277 10.7277 10.7475 10.7475 11.6223 11.6223 13.2080 13.2080 15.3220 15.3220 15.6896 15.6896 17.5421 17.5421 k = 0.3333 0.5774 0.0335 ( 2700 PWs) bands (ev): -48.9498 -48.9498 -48.9498 -48.9498 -23.3570 -23.3570 -23.3319 -23.3319 -15.9240 -15.9240 -15.7509 -15.7509 -15.7068 -15.7068 -15.6085 -15.6085 -0.7150 -0.7150 -0.3494 -0.3494 0.8612 0.8612 7.9832 7.9832 7.9861 7.9861 8.4364 8.4364 8.4492 8.4492 8.6851 8.6851 9.3267 9.3267 10.7368 10.7368 10.7566 10.7566 11.6140 11.6140 13.2107 13.2107 15.2783 15.2783 15.7426 15.7426 17.5227 17.5227 k = 0.3333 0.5774 0.0447 ( 2700 PWs) bands (ev): -48.9498 -48.9498 -48.9498 -48.9498 -23.3570 -23.3570 -23.3319 -23.3319 -15.9242 -15.9242 -15.7508 -15.7508 -15.7068 -15.7068 -15.6084 -15.6084 -0.7145 -0.7145 -0.3489 -0.3489 0.8612 0.8612 7.9289 7.9289 7.9297 7.9297 8.4823 8.4823 8.5041 8.5041 8.6853 8.6853 9.3392 9.3392 10.7495 10.7495 10.7695 10.7695 11.6025 11.6025 13.2145 13.2145 15.2306 15.2306 15.8034 15.8034 17.4954 17.4954 k = 0.3333 0.5774 0.0559 ( 2700 PWs) bands (ev): -48.9498 -48.9498 -48.9498 -48.9498 -23.3570 -23.3570 -23.3319 -23.3319 -15.9244 -15.9244 -15.7507 -15.7507 -15.7068 -15.7068 -15.6083 -15.6083 -0.7139 -0.7139 -0.3483 -0.3483 0.8614 0.8614 7.8715 7.8715 7.8726 7.8726 8.5242 8.5242 8.5601 8.5601 8.6896 8.6896 9.3547 9.3547 10.7656 10.7656 10.7859 10.7859 11.5881 11.5881 13.2193 13.2193 15.1814 15.1814 15.8691 15.8691 17.4603 17.4603 k = 0.3333 0.5774 0.0671 ( 2688 PWs) bands (ev): -48.9498 -48.9498 -48.9498 -48.9498 -23.3569 -23.3569 -23.3318 -23.3318 -15.9246 -15.9246 -15.7506 -15.7506 -15.7067 -15.7067 -15.6080 -15.6080 -0.7131 -0.7131 -0.3476 -0.3476 0.8615 0.8615 7.8131 7.8131 7.8158 7.8158 8.5561 8.5561 8.6157 8.6157 8.7027 8.7027 9.3729 9.3729 10.7852 10.7852 10.8058 10.8058 11.5710 11.5710 13.2251 13.2251 15.1324 15.1324 15.9383 15.9383 17.4177 17.4177 k = 0.3333 0.5774 0.0782 ( 2685 PWs) bands (ev): -48.9498 -48.9498 -48.9498 -48.9498 -23.3569 -23.3569 -23.3318 -23.3318 -15.9249 -15.9249 -15.7505 -15.7505 -15.7066 -15.7066 -15.6077 -15.6077 -0.7122 -0.7122 -0.3467 -0.3467 0.8616 0.8616 7.7555 7.7555 7.7595 7.7595 8.5738 8.5738 8.6700 8.6700 8.7282 8.7282 9.3933 9.3933 10.8080 10.8080 10.8290 10.8290 11.5514 11.5514 13.2317 13.2317 15.0840 15.0840 16.0102 16.0102 17.3678 17.3678 k = 0.3333 0.5774 0.0894 ( 2685 PWs) bands (ev): -48.9498 -48.9498 -48.9498 -48.9498 -23.3569 -23.3569 -23.3318 -23.3318 -15.9253 -15.9253 -15.7503 -15.7503 -15.7066 -15.7066 -15.6075 -15.6075 -0.7112 -0.7112 -0.3458 -0.3458 0.8618 0.8618 7.6991 7.6991 7.7043 7.7043 8.5790 8.5790 8.7223 8.7223 8.7637 8.7637 9.4157 9.4157 10.8338 10.8338 10.8555 10.8555 11.5297 11.5297 13.2391 13.2391 15.0367 15.0367 16.0843 16.0843 17.3115 17.3115 k = 0.3333 0.5774 0.1006 ( 2685 PWs) bands (ev): -48.9498 -48.9498 -48.9498 -48.9498 -23.3569 -23.3569 -23.3318 -23.3318 -15.9256 -15.9256 -15.7502 -15.7502 -15.7066 -15.7066 -15.6073 -15.6073 -0.7101 -0.7101 -0.3449 -0.3449 0.8620 0.8620 7.6444 7.6444 7.6507 7.6507 8.5769 8.5769 8.7722 8.7722 8.8040 8.8040 9.4396 9.4396 10.8622 10.8622 10.8850 10.8850 11.5062 11.5062 13.2471 13.2471 14.9909 14.9909 16.1602 16.1602 17.2494 17.2494 k = 0.3333 0.5774 0.1118 ( 2697 PWs) bands (ev): -48.9498 -48.9498 -48.9498 -48.9498 -23.3570 -23.3570 -23.3319 -23.3319 -15.9261 -15.9261 -15.7501 -15.7501 -15.7067 -15.7067 -15.6071 -15.6071 -0.7090 -0.7090 -0.3438 -0.3438 0.8621 0.8621 7.5917 7.5917 7.5990 7.5990 8.5711 8.5711 8.8193 8.8193 8.8454 8.8454 9.4648 9.4648 10.8930 10.8930 10.9171 10.9171 11.4814 11.4814 13.2558 13.2558 14.9465 14.9465 16.2375 16.2375 17.1827 17.1827 k = 0.3333 0.5774 0.1230 ( 2685 PWs) bands (ev): -48.9498 -48.9498 -48.9498 -48.9498 -23.3569 -23.3569 -23.3318 -23.3318 -15.9265 -15.9265 -15.7499 -15.7499 -15.7065 -15.7065 -15.6067 -15.6067 -0.7078 -0.7078 -0.3427 -0.3427 0.8623 0.8623 7.5414 7.5414 7.5496 7.5496 8.5634 8.5634 8.8634 8.8634 8.8860 8.8860 9.4908 9.4908 10.9255 10.9255 10.9515 10.9515 11.4559 11.4559 13.2649 13.2649 14.9039 14.9039 16.3159 16.3159 17.1126 17.1126 k = 0.3333 0.5774 0.1341 ( 2691 PWs) bands (ev): -48.9498 -48.9498 -48.9498 -48.9498 -23.3570 -23.3570 -23.3319 -23.3319 -15.9269 -15.9269 -15.7498 -15.7498 -15.7066 -15.7066 -15.6065 -15.6065 -0.7066 -0.7066 -0.3416 -0.3416 0.8625 0.8625 7.4937 7.4937 7.5027 7.5027 8.5548 8.5548 8.9043 8.9043 8.9246 8.9246 9.5173 9.5173 10.9590 10.9590 10.9878 10.9878 11.4301 11.4301 13.2743 13.2743 14.8632 14.8632 16.3948 16.3948 17.0402 17.0402 k = 0.3333 0.5774 0.1453 ( 2691 PWs) bands (ev): -48.9498 -48.9498 -48.9498 -48.9498 -23.3570 -23.3570 -23.3319 -23.3319 -15.9273 -15.9273 -15.7497 -15.7497 -15.7066 -15.7066 -15.6062 -15.6062 -0.7054 -0.7054 -0.3405 -0.3405 0.8627 0.8627 7.4487 7.4487 7.4584 7.4584 8.5459 8.5459 8.9419 8.9419 8.9607 8.9607 9.5441 9.5441 10.9927 10.9927 11.0255 11.0255 11.4050 11.4050 13.2840 13.2840 14.8244 14.8244 16.4735 16.4735 16.9668 16.9668 k = 0.3333 0.5774 0.1565 ( 2691 PWs) bands (ev): -48.9498 -48.9498 -48.9498 -48.9498 -23.3570 -23.3570 -23.3319 -23.3319 -15.9277 -15.9277 -15.7495 -15.7495 -15.7065 -15.7065 -15.6059 -15.6059 -0.7041 -0.7041 -0.3394 -0.3394 0.8629 0.8629 7.4068 7.4068 7.4171 7.4171 8.5371 8.5371 8.9762 8.9762 8.9941 8.9941 9.5707 9.5707 11.0255 11.0255 11.0640 11.0640 11.3814 11.3814 13.2938 13.2938 14.7879 14.7879 16.5509 16.5509 16.8937 16.8937 k = 0.3333 0.5774 0.1677 ( 2682 PWs) bands (ev): -48.9498 -48.9498 -48.9498 -48.9498 -23.3569 -23.3569 -23.3318 -23.3318 -15.9281 -15.9281 -15.7494 -15.7494 -15.7064 -15.7064 -15.6055 -15.6055 -0.7030 -0.7030 -0.3383 -0.3383 0.8631 0.8631 7.3679 7.3679 7.3789 7.3789 8.5286 8.5286 9.0071 9.0071 9.0245 9.0245 9.5970 9.5970 11.0556 11.0556 11.1026 11.1026 11.3607 11.3607 13.3034 13.3034 14.7536 14.7536 16.6242 16.6242 16.8221 16.8221 k = 0.3333 0.5774 0.1788 ( 2682 PWs) bands (ev): -48.9498 -48.9498 -48.9498 -48.9498 -23.3569 -23.3569 -23.3318 -23.3318 -15.9284 -15.9284 -15.7492 -15.7492 -15.7064 -15.7064 -15.6053 -15.6053 -0.7018 -0.7018 -0.3372 -0.3372 0.8633 0.8633 7.3324 7.3324 7.3438 7.3438 8.5205 8.5205 9.0348 9.0348 9.0518 9.0518 9.6225 9.6225 11.0813 11.0813 11.1407 11.1407 11.3447 11.3447 13.3129 13.3129 14.7218 14.7218 16.6853 16.6853 16.7531 16.7531 k = 0.3333 0.5774 0.1900 ( 2667 PWs) bands (ev): -48.9498 -48.9498 -48.9498 -48.9498 -23.3568 -23.3568 -23.3316 -23.3316 -15.9286 -15.9286 -15.7490 -15.7490 -15.7063 -15.7063 -15.6049 -15.6049 -0.7007 -0.7007 -0.3362 -0.3362 0.8635 0.8635 7.3002 7.3002 7.3122 7.3122 8.5131 8.5131 9.0592 9.0592 9.0761 9.0761 9.6469 9.6469 11.1001 11.1001 11.1775 11.1775 11.3353 11.3353 13.3220 13.3220 14.6927 14.6927 16.6879 16.6879 16.7091 16.7091 k = 0.3333 0.5774 0.2012 ( 2661 PWs) bands (ev): -48.9498 -48.9498 -48.9498 -48.9498 -23.3567 -23.3567 -23.3316 -23.3316 -15.9289 -15.9289 -15.7488 -15.7488 -15.7063 -15.7063 -15.6047 -15.6047 -0.6997 -0.6997 -0.3353 -0.3353 0.8637 0.8637 7.2716 7.2716 7.2839 7.2839 8.5064 8.5064 9.0804 9.0804 9.0974 9.0974 9.6698 9.6698 11.1106 11.1106 11.2123 11.2123 11.3339 11.3339 13.3305 13.3305 14.6664 14.6664 16.6276 16.6276 16.6842 16.6842 k = 0.3333 0.5774 0.2124 ( 2673 PWs) bands (ev): -48.9498 -48.9498 -48.9498 -48.9498 -23.3568 -23.3568 -23.3317 -23.3317 -15.9293 -15.9293 -15.7488 -15.7488 -15.7064 -15.7064 -15.6046 -15.6046 -0.6988 -0.6988 -0.3344 -0.3344 0.8638 0.8638 7.2466 7.2466 7.2593 7.2593 8.5004 8.5004 9.0986 9.0986 9.1156 9.1156 9.6908 9.6908 11.1128 11.1128 11.2443 11.2443 11.3399 11.3399 13.3383 13.3383 14.6432 14.6432 16.5730 16.5730 16.6426 16.6426 k = 0.3333 0.5774 0.2236 ( 2673 PWs) bands (ev): -48.9498 -48.9498 -48.9498 -48.9498 -23.3568 -23.3568 -23.3317 -23.3317 -15.9295 -15.9295 -15.7487 -15.7487 -15.7064 -15.7064 -15.6044 -15.6044 -0.6980 -0.6980 -0.3337 -0.3337 0.8639 0.8639 7.2253 7.2253 7.2383 7.2383 8.4953 8.4953 9.1137 9.1137 9.1309 9.1309 9.7095 9.7095 11.1092 11.1092 11.2728 11.2728 11.3511 11.3511 13.3452 13.3452 14.6231 14.6231 16.5252 16.5252 16.6008 16.6008 k = 0.3333 0.5774 0.2347 ( 2664 PWs) bands (ev): -48.9498 -48.9498 -48.9498 -48.9498 -23.3567 -23.3567 -23.3316 -23.3316 -15.9297 -15.9297 -15.7486 -15.7486 -15.7063 -15.7063 -15.6042 -15.6042 -0.6974 -0.6974 -0.3331 -0.3331 0.8640 0.8640 7.2078 7.2078 7.2210 7.2210 8.4910 8.4910 9.1260 9.1260 9.1432 9.1432 9.7255 9.7255 11.1025 11.1025 11.2972 11.2972 11.3641 11.3641 13.3511 13.3511 14.6064 14.6064 16.4849 16.4849 16.5640 16.5640 k = 0.3333 0.5774 0.2459 ( 2676 PWs) bands (ev): -48.9498 -48.9498 -48.9498 -48.9498 -23.3569 -23.3569 -23.3317 -23.3317 -15.9299 -15.9299 -15.7485 -15.7485 -15.7064 -15.7064 -15.6041 -15.6041 -0.6969 -0.6969 -0.3326 -0.3326 0.8641 0.8641 7.1941 7.1941 7.2075 7.2075 8.4876 8.4876 9.1355 9.1355 9.1528 9.1528 9.7384 9.7384 11.0951 11.0951 11.3168 11.3168 11.3766 11.3766 13.3559 13.3559 14.5933 14.5933 16.4528 16.4528 16.5340 16.5340 k = 0.3333 0.5774 0.2571 ( 2673 PWs) bands (ev): -48.9498 -48.9498 -48.9498 -48.9498 -23.3568 -23.3568 -23.3317 -23.3317 -15.9300 -15.9300 -15.7485 -15.7485 -15.7064 -15.7064 -15.6040 -15.6040 -0.6965 -0.6965 -0.3323 -0.3323 0.8642 0.8642 7.1843 7.1843 7.1978 7.1978 8.4852 8.4852 9.1422 9.1422 9.1596 9.1596 9.7479 9.7479 11.0889 11.0889 11.3312 11.3312 11.3865 11.3865 13.3593 13.3593 14.5838 14.5838 16.4294 16.4294 16.5119 16.5119 k = 0.3333 0.5774 0.2683 ( 2670 PWs) bands (ev): -48.9498 -48.9498 -48.9498 -48.9498 -23.3568 -23.3568 -23.3317 -23.3317 -15.9301 -15.9301 -15.7484 -15.7484 -15.7063 -15.7063 -15.6040 -15.6040 -0.6962 -0.6962 -0.3321 -0.3321 0.8642 0.8642 7.1784 7.1784 7.1920 7.1920 8.4838 8.4838 9.1462 9.1462 9.1636 9.1636 9.7537 9.7537 11.0847 11.0847 11.3400 11.3400 11.3930 11.3930 13.3615 13.3615 14.5781 14.5781 16.4153 16.4153 16.4984 16.4984 k = 0.3333 0.5774 0.2795 ( 2670 PWs) bands (ev): -48.9498 -48.9498 -48.9498 -48.9498 -23.3568 -23.3568 -23.3317 -23.3317 -15.9301 -15.9301 -15.7484 -15.7484 -15.7063 -15.7063 -15.6040 -15.6040 -0.6962 -0.6962 -0.3320 -0.3320 0.8642 0.8642 7.1764 7.1764 7.1901 7.1901 8.4833 8.4833 9.1475 9.1475 9.1650 9.1650 9.7556 9.7556 11.0833 11.0833 11.3429 11.3429 11.3951 11.3951 13.3622 13.3622 14.5761 14.5761 16.4105 16.4105 16.4939 16.4939 Writing output data file Hf2SN2.save init_run : 0.24s CPU 0.35s WALL ( 1 calls) electrons : 126.56s CPU 128.83s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 126.54s CPU 128.82s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 364 calls) cegterg : 116.91s CPU 118.84s WALL ( 521 calls) Called by sum_band: Called by *egterg: h_psi : 55.86s CPU 57.18s WALL ( 8366 calls) s_psi : 4.14s CPU 4.12s WALL ( 8366 calls) g_psi : 0.17s CPU 0.16s WALL ( 7481 calls) cdiaghg : 53.59s CPU 54.55s WALL ( 7845 calls) cegterg:over : 4.18s CPU 4.11s WALL ( 7481 calls) cegterg:upda : 3.06s CPU 2.99s WALL ( 7481 calls) cegterg:last : 1.70s CPU 1.76s WALL ( 1256 calls) cdiaghg:chol : 2.83s CPU 2.89s WALL ( 7845 calls) cdiaghg:inve : 2.04s CPU 2.01s WALL ( 7845 calls) cdiaghg:para : 3.06s CPU 3.09s WALL ( 15690 calls) Called by h_psi: h_psi:vloc : 46.86s CPU 48.01s WALL ( 8366 calls) h_psi:vnl : 8.85s CPU 9.04s WALL ( 8366 calls) add_vuspsi : 4.66s CPU 4.73s WALL ( 8366 calls) General routines calbec : 4.16s CPU 4.29s WALL ( 8366 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 44.18s CPU 45.27s WALL ( 802652 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.17s WALL ( 728 calls) Parallel routines fft_scatter : 18.47s CPU 18.73s WALL ( 802675 calls) PWSCF : 2m20.40s CPU 2m32.79s WALL This run was terminated on: 19:25:32 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=