Program PWSCF v.5.1.1 starts on 31Jul2015 at 5:24:58 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./SiNi2.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 17 13 4 537 341 58 Max 18 14 5 546 357 61 Sum 847 649 199 26019 16743 2823 bravais-lattice index = 14 lattice parameter (alat) = 7.2490 a.u. unit-cell volume = 425.5142 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 236.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.248989 celldm(2)= 1.000000 celldm(3)= 1.289885 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 1.289885 ) 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 0.775263 ) PseudoPot. # 1 for Ni read from file: /home/autes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 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 Si read from file: /home/autes/Pseudo/Si.rel-pbe-nl-rrkjus_psl.1.0.0.UPF MD5 check sum: fdd4f0c14d34ff7e95251eb8672b2767 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 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 Ni 10.00 58.69340 Ni( 1.00) Si 4.00 28.08550 Si( 1.00) 12 Sym. Ops., with inversion, found (note: 12 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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 3s_v -3s_v i -i 2S6 -2S6 3C2' -3C2' 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 3s_v -3s_v i -i 2S6 -2S6 3C2' -3C2' 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: E 1 3C2' 2 5 -6 2C3 3 4 3C2' 6 -5 -2 i 7 3s_v 8 11 -12 2S6 9 10 3s_v 12 -11 -8 -E -1 -2C3 -3 -4 -i -7 -2S6 -9 -10 Cartesian axes number of k points= 367 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 2) = ( 0.0104167 0.0060141 -0.0000000), wk = 0.0027248 k( 3) = ( 0.0208333 0.0120281 -0.0000000), wk = 0.0027248 k( 4) = ( 0.0312500 0.0180422 -0.0000000), wk = 0.0027248 k( 5) = ( 0.0416667 0.0240563 -0.0000000), wk = 0.0027248 k( 6) = ( 0.0520833 0.0300703 -0.0000000), wk = 0.0027248 k( 7) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0027248 k( 8) = ( 0.0729167 0.0420985 -0.0000000), wk = 0.0027248 k( 9) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0027248 k( 10) = ( 0.0937500 0.0541266 -0.0000000), wk = 0.0027248 k( 11) = ( 0.1041667 0.0601407 -0.0000000), wk = 0.0027248 k( 12) = ( 0.1145833 0.0661547 -0.0000000), wk = 0.0027248 k( 13) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0027248 k( 14) = ( 0.1354167 0.0781829 -0.0000000), wk = 0.0027248 k( 15) = ( 0.1458333 0.0841969 -0.0000000), wk = 0.0027248 k( 16) = ( 0.1562500 0.0902110 -0.0000000), wk = 0.0027248 k( 17) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0027248 k( 18) = ( 0.1770833 0.1022391 -0.0000000), wk = 0.0027248 k( 19) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0027248 k( 20) = ( 0.1979167 0.1142672 -0.0000000), wk = 0.0027248 k( 21) = ( 0.2083333 0.1202813 -0.0000000), wk = 0.0027248 k( 22) = ( 0.2187500 0.1262954 -0.0000000), wk = 0.0027248 k( 23) = ( 0.2291667 0.1323094 -0.0000000), wk = 0.0027248 k( 24) = ( 0.2395833 0.1383235 -0.0000000), wk = 0.0027248 k( 25) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0027248 k( 26) = ( 0.2604167 0.1503516 -0.0000000), wk = 0.0027248 k( 27) = ( 0.2708333 0.1563657 -0.0000000), wk = 0.0027248 k( 28) = ( 0.2812500 0.1623798 -0.0000000), wk = 0.0027248 k( 29) = ( 0.2916667 0.1683938 -0.0000000), wk = 0.0027248 k( 30) = ( 0.3020833 0.1744079 -0.0000000), wk = 0.0027248 k( 31) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0027248 k( 32) = ( 0.3229167 0.1864360 -0.0000000), wk = 0.0027248 k( 33) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0027248 k( 34) = ( 0.3437500 0.1984642 -0.0000000), wk = 0.0027248 k( 35) = ( 0.3541667 0.2044782 -0.0000000), wk = 0.0027248 k( 36) = ( 0.3645833 0.2104923 -0.0000000), wk = 0.0027248 k( 37) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0027248 k( 38) = ( 0.3854167 0.2225204 -0.0000000), wk = 0.0027248 k( 39) = ( 0.3958333 0.2285345 -0.0000000), wk = 0.0027248 k( 40) = ( 0.4062500 0.2345485 -0.0000000), wk = 0.0027248 k( 41) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0027248 k( 42) = ( 0.4270833 0.2465767 -0.0000000), wk = 0.0027248 k( 43) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0027248 k( 44) = ( 0.4479167 0.2586048 -0.0000000), wk = 0.0027248 k( 45) = ( 0.4583333 0.2646189 -0.0000000), wk = 0.0027248 k( 46) = ( 0.4687500 0.2706329 -0.0000000), wk = 0.0027248 k( 47) = ( 0.4791667 0.2766470 -0.0000000), wk = 0.0027248 k( 48) = ( 0.4895833 0.2826611 -0.0000000), wk = 0.0027248 k( 49) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027248 k( 50) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027248 k( 51) = ( 0.4940476 0.2989850 -0.0000000), wk = 0.0027248 k( 52) = ( 0.4880952 0.3092948 -0.0000000), wk = 0.0027248 k( 53) = ( 0.4821429 0.3196046 -0.0000000), wk = 0.0027248 k( 54) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0027248 k( 55) = ( 0.4702381 0.3402243 -0.0000000), wk = 0.0027248 k( 56) = ( 0.4642857 0.3505341 -0.0000000), wk = 0.0027248 k( 57) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0027248 k( 58) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0027248 k( 59) = ( 0.4464286 0.3814636 -0.0000000), wk = 0.0027248 k( 60) = ( 0.4404762 0.3917734 -0.0000000), wk = 0.0027248 k( 61) = ( 0.4345238 0.4020832 -0.0000000), wk = 0.0027248 k( 62) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0027248 k( 63) = ( 0.4226190 0.4227029 -0.0000000), wk = 0.0027248 k( 64) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0027248 k( 65) = ( 0.4107143 0.4433225 -0.0000000), wk = 0.0027248 k( 66) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0027248 k( 67) = ( 0.3988095 0.4639422 -0.0000000), wk = 0.0027248 k( 68) = ( 0.3928571 0.4742520 -0.0000000), wk = 0.0027248 k( 69) = ( 0.3869048 0.4845618 -0.0000000), wk = 0.0027248 k( 70) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0027248 k( 71) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0027248 k( 72) = ( 0.3690476 0.5154913 -0.0000000), wk = 0.0027248 k( 73) = ( 0.3630952 0.5258011 -0.0000000), wk = 0.0027248 k( 74) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0027248 k( 75) = ( 0.3511905 0.5464208 -0.0000000), wk = 0.0027248 k( 76) = ( 0.3452381 0.5567306 -0.0000000), wk = 0.0027248 k( 77) = ( 0.3392857 0.5670404 -0.0000000), wk = 0.0027248 k( 78) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027248 k( 79) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027248 k( 80) = ( 0.3272727 0.5668530 -0.0000000), wk = 0.0027248 k( 81) = ( 0.3212121 0.5563557 -0.0000000), wk = 0.0027248 k( 82) = ( 0.3151515 0.5458584 -0.0000000), wk = 0.0027248 k( 83) = ( 0.3090909 0.5353612 -0.0000000), wk = 0.0027248 k( 84) = ( 0.3030303 0.5248639 -0.0000000), wk = 0.0027248 k( 85) = ( 0.2969697 0.5143666 -0.0000000), wk = 0.0027248 k( 86) = ( 0.2909091 0.5038693 -0.0000000), wk = 0.0027248 k( 87) = ( 0.2848485 0.4933720 -0.0000000), wk = 0.0027248 k( 88) = ( 0.2787879 0.4828748 -0.0000000), wk = 0.0027248 k( 89) = ( 0.2727273 0.4723775 -0.0000000), wk = 0.0027248 k( 90) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0027248 k( 91) = ( 0.2606061 0.4513829 -0.0000000), wk = 0.0027248 k( 92) = ( 0.2545455 0.4408857 -0.0000000), wk = 0.0027248 k( 93) = ( 0.2484849 0.4303884 -0.0000000), wk = 0.0027248 k( 94) = ( 0.2424242 0.4198911 -0.0000000), wk = 0.0027248 k( 95) = ( 0.2363636 0.4093938 -0.0000000), wk = 0.0027248 k( 96) = ( 0.2303030 0.3988965 -0.0000000), wk = 0.0027248 k( 97) = ( 0.2242424 0.3883993 -0.0000000), wk = 0.0027248 k( 98) = ( 0.2181818 0.3779020 -0.0000000), wk = 0.0027248 k( 99) = ( 0.2121212 0.3674047 -0.0000000), wk = 0.0027248 k( 100) = ( 0.2060606 0.3569074 -0.0000000), wk = 0.0027248 k( 101) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0027248 k( 102) = ( 0.1939394 0.3359129 -0.0000000), wk = 0.0027248 k( 103) = ( 0.1878788 0.3254156 -0.0000000), wk = 0.0027248 k( 104) = ( 0.1818182 0.3149183 -0.0000000), wk = 0.0027248 k( 105) = ( 0.1757576 0.3044211 -0.0000000), wk = 0.0027248 k( 106) = ( 0.1696970 0.2939238 -0.0000000), wk = 0.0027248 k( 107) = ( 0.1636364 0.2834265 -0.0000000), wk = 0.0027248 k( 108) = ( 0.1575758 0.2729292 -0.0000000), wk = 0.0027248 k( 109) = ( 0.1515151 0.2624319 -0.0000000), wk = 0.0027248 k( 110) = ( 0.1454545 0.2519347 -0.0000000), wk = 0.0027248 k( 111) = ( 0.1393939 0.2414374 -0.0000000), wk = 0.0027248 k( 112) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0027248 k( 113) = ( 0.1272727 0.2204428 -0.0000000), wk = 0.0027248 k( 114) = ( 0.1212121 0.2099456 -0.0000000), wk = 0.0027248 k( 115) = ( 0.1151515 0.1994483 -0.0000000), wk = 0.0027248 k( 116) = ( 0.1090909 0.1889510 -0.0000000), wk = 0.0027248 k( 117) = ( 0.1030303 0.1784537 -0.0000000), wk = 0.0027248 k( 118) = ( 0.0969697 0.1679564 -0.0000000), wk = 0.0027248 k( 119) = ( 0.0909091 0.1574592 -0.0000000), wk = 0.0027248 k( 120) = ( 0.0848485 0.1469619 -0.0000000), wk = 0.0027248 k( 121) = ( 0.0787879 0.1364646 -0.0000000), wk = 0.0027248 k( 122) = ( 0.0727273 0.1259673 -0.0000000), wk = 0.0027248 k( 123) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0027248 k( 124) = ( 0.0606061 0.1049728 -0.0000000), wk = 0.0027248 k( 125) = ( 0.0545455 0.0944755 -0.0000000), wk = 0.0027248 k( 126) = ( 0.0484849 0.0839782 -0.0000000), wk = 0.0027248 k( 127) = ( 0.0424242 0.0734809 -0.0000000), wk = 0.0027248 k( 128) = ( 0.0363636 0.0629837 -0.0000000), wk = 0.0027248 k( 129) = ( 0.0303030 0.0524864 -0.0000000), wk = 0.0027248 k( 130) = ( 0.0242424 0.0419891 -0.0000000), wk = 0.0027248 k( 131) = ( 0.0181818 0.0314918 -0.0000000), wk = 0.0027248 k( 132) = ( 0.0121212 0.0209946 -0.0000000), wk = 0.0027248 k( 133) = ( 0.0060606 0.0104973 -0.0000000), wk = 0.0027248 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 136) = ( 0.0000000 0.0000000 0.0121135), wk = 0.0027248 k( 137) = ( 0.0000000 0.0000000 0.0242270), wk = 0.0027248 k( 138) = ( 0.0000000 0.0000000 0.0363404), wk = 0.0027248 k( 139) = ( 0.0000000 0.0000000 0.0484539), wk = 0.0027248 k( 140) = ( 0.0000000 0.0000000 0.0605674), wk = 0.0027248 k( 141) = ( 0.0000000 0.0000000 0.0726809), wk = 0.0027248 k( 142) = ( 0.0000000 0.0000000 0.0847944), wk = 0.0027248 k( 143) = ( 0.0000000 0.0000000 0.0969078), wk = 0.0027248 k( 144) = ( 0.0000000 0.0000000 0.1090213), wk = 0.0027248 k( 145) = ( 0.0000000 0.0000000 0.1211348), wk = 0.0027248 k( 146) = ( 0.0000000 0.0000000 0.1332483), wk = 0.0027248 k( 147) = ( 0.0000000 0.0000000 0.1453618), wk = 0.0027248 k( 148) = ( 0.0000000 0.0000000 0.1574752), wk = 0.0027248 k( 149) = ( 0.0000000 0.0000000 0.1695887), wk = 0.0027248 k( 150) = ( 0.0000000 0.0000000 0.1817022), wk = 0.0027248 k( 151) = ( 0.0000000 0.0000000 0.1938157), wk = 0.0027248 k( 152) = ( 0.0000000 0.0000000 0.2059292), wk = 0.0027248 k( 153) = ( 0.0000000 0.0000000 0.2180426), wk = 0.0027248 k( 154) = ( 0.0000000 0.0000000 0.2301561), wk = 0.0027248 k( 155) = ( 0.0000000 0.0000000 0.2422696), wk = 0.0027248 k( 156) = ( 0.0000000 0.0000000 0.2543831), wk = 0.0027248 k( 157) = ( 0.0000000 0.0000000 0.2664966), wk = 0.0027248 k( 158) = ( 0.0000000 0.0000000 0.2786100), wk = 0.0027248 k( 159) = ( 0.0000000 0.0000000 0.2907235), wk = 0.0027248 k( 160) = ( 0.0000000 0.0000000 0.3028370), wk = 0.0027248 k( 161) = ( 0.0000000 0.0000000 0.3149505), wk = 0.0027248 k( 162) = ( 0.0000000 0.0000000 0.3270640), wk = 0.0027248 k( 163) = ( 0.0000000 0.0000000 0.3391774), wk = 0.0027248 k( 164) = ( 0.0000000 0.0000000 0.3512909), wk = 0.0027248 k( 165) = ( 0.0000000 0.0000000 0.3634044), wk = 0.0027248 k( 166) = ( 0.0000000 0.0000000 0.3755179), wk = 0.0027248 k( 167) = ( 0.0000000 0.0000000 0.3876314), wk = 0.0027248 k( 168) = ( 0.0000000 0.0000000 0.3876314), wk = 0.0027248 k( 169) = ( 0.0104167 0.0060141 0.3876314), wk = 0.0027248 k( 170) = ( 0.0208333 0.0120281 0.3876314), wk = 0.0027248 k( 171) = ( 0.0312500 0.0180422 0.3876314), wk = 0.0027248 k( 172) = ( 0.0416667 0.0240563 0.3876314), wk = 0.0027248 k( 173) = ( 0.0520833 0.0300703 0.3876314), wk = 0.0027248 k( 174) = ( 0.0625000 0.0360844 0.3876314), wk = 0.0027248 k( 175) = ( 0.0729167 0.0420985 0.3876314), wk = 0.0027248 k( 176) = ( 0.0833333 0.0481125 0.3876314), wk = 0.0027248 k( 177) = ( 0.0937500 0.0541266 0.3876314), wk = 0.0027248 k( 178) = ( 0.1041667 0.0601407 0.3876314), wk = 0.0027248 k( 179) = ( 0.1145833 0.0661547 0.3876314), wk = 0.0027248 k( 180) = ( 0.1250000 0.0721688 0.3876314), wk = 0.0027248 k( 181) = ( 0.1354167 0.0781829 0.3876314), wk = 0.0027248 k( 182) = ( 0.1458333 0.0841969 0.3876314), wk = 0.0027248 k( 183) = ( 0.1562500 0.0902110 0.3876314), wk = 0.0027248 k( 184) = ( 0.1666667 0.0962250 0.3876314), wk = 0.0027248 k( 185) = ( 0.1770833 0.1022391 0.3876314), wk = 0.0027248 k( 186) = ( 0.1875000 0.1082532 0.3876314), wk = 0.0027248 k( 187) = ( 0.1979167 0.1142672 0.3876314), wk = 0.0027248 k( 188) = ( 0.2083333 0.1202813 0.3876314), wk = 0.0027248 k( 189) = ( 0.2187500 0.1262954 0.3876314), wk = 0.0027248 k( 190) = ( 0.2291667 0.1323094 0.3876314), wk = 0.0027248 k( 191) = ( 0.2395833 0.1383235 0.3876314), wk = 0.0027248 k( 192) = ( 0.2500000 0.1443376 0.3876314), wk = 0.0027248 k( 193) = ( 0.2604167 0.1503516 0.3876314), wk = 0.0027248 k( 194) = ( 0.2708333 0.1563657 0.3876314), wk = 0.0027248 k( 195) = ( 0.2812500 0.1623798 0.3876314), wk = 0.0027248 k( 196) = ( 0.2916667 0.1683938 0.3876314), wk = 0.0027248 k( 197) = ( 0.3020833 0.1744079 0.3876314), wk = 0.0027248 k( 198) = ( 0.3125000 0.1804220 0.3876314), wk = 0.0027248 k( 199) = ( 0.3229167 0.1864360 0.3876314), wk = 0.0027248 k( 200) = ( 0.3333333 0.1924501 0.3876314), wk = 0.0027248 k( 201) = ( 0.3437500 0.1984642 0.3876314), wk = 0.0027248 k( 202) = ( 0.3541667 0.2044782 0.3876314), wk = 0.0027248 k( 203) = ( 0.3645833 0.2104923 0.3876314), wk = 0.0027248 k( 204) = ( 0.3750000 0.2165064 0.3876314), wk = 0.0027248 k( 205) = ( 0.3854167 0.2225204 0.3876314), wk = 0.0027248 k( 206) = ( 0.3958333 0.2285345 0.3876314), wk = 0.0027248 k( 207) = ( 0.4062500 0.2345485 0.3876314), wk = 0.0027248 k( 208) = ( 0.4166667 0.2405626 0.3876314), wk = 0.0027248 k( 209) = ( 0.4270833 0.2465767 0.3876314), wk = 0.0027248 k( 210) = ( 0.4375000 0.2525907 0.3876314), wk = 0.0027248 k( 211) = ( 0.4479167 0.2586048 0.3876314), wk = 0.0027248 k( 212) = ( 0.4583333 0.2646189 0.3876314), wk = 0.0027248 k( 213) = ( 0.4687500 0.2706329 0.3876314), wk = 0.0027248 k( 214) = ( 0.4791667 0.2766470 0.3876314), wk = 0.0027248 k( 215) = ( 0.4895833 0.2826611 0.3876314), wk = 0.0027248 k( 216) = ( 0.5000000 0.2886751 0.3876314), wk = 0.0027248 k( 217) = ( 0.5000000 0.2886751 0.3876314), wk = 0.0027248 k( 218) = ( 0.4940476 0.2989850 0.3876314), wk = 0.0027248 k( 219) = ( 0.4880952 0.3092948 0.3876314), wk = 0.0027248 k( 220) = ( 0.4821429 0.3196046 0.3876314), wk = 0.0027248 k( 221) = ( 0.4761905 0.3299144 0.3876314), wk = 0.0027248 k( 222) = ( 0.4702381 0.3402243 0.3876314), wk = 0.0027248 k( 223) = ( 0.4642857 0.3505341 0.3876314), wk = 0.0027248 k( 224) = ( 0.4583333 0.3608439 0.3876314), wk = 0.0027248 k( 225) = ( 0.4523810 0.3711537 0.3876314), wk = 0.0027248 k( 226) = ( 0.4464286 0.3814636 0.3876314), wk = 0.0027248 k( 227) = ( 0.4404762 0.3917734 0.3876314), wk = 0.0027248 k( 228) = ( 0.4345238 0.4020832 0.3876314), wk = 0.0027248 k( 229) = ( 0.4285714 0.4123930 0.3876314), wk = 0.0027248 k( 230) = ( 0.4226190 0.4227029 0.3876314), wk = 0.0027248 k( 231) = ( 0.4166667 0.4330127 0.3876314), wk = 0.0027248 k( 232) = ( 0.4107143 0.4433225 0.3876314), wk = 0.0027248 k( 233) = ( 0.4047619 0.4536324 0.3876314), wk = 0.0027248 k( 234) = ( 0.3988095 0.4639422 0.3876314), wk = 0.0027248 k( 235) = ( 0.3928571 0.4742520 0.3876314), wk = 0.0027248 k( 236) = ( 0.3869048 0.4845618 0.3876314), wk = 0.0027248 k( 237) = ( 0.3809524 0.4948717 0.3876314), wk = 0.0027248 k( 238) = ( 0.3750000 0.5051815 0.3876314), wk = 0.0027248 k( 239) = ( 0.3690476 0.5154913 0.3876314), wk = 0.0027248 k( 240) = ( 0.3630952 0.5258011 0.3876314), wk = 0.0027248 k( 241) = ( 0.3571429 0.5361110 0.3876314), wk = 0.0027248 k( 242) = ( 0.3511905 0.5464208 0.3876314), wk = 0.0027248 k( 243) = ( 0.3452381 0.5567306 0.3876314), wk = 0.0027248 k( 244) = ( 0.3392857 0.5670404 0.3876314), wk = 0.0027248 k( 245) = ( 0.3333333 0.5773503 0.3876314), wk = 0.0027248 k( 246) = ( 0.3333333 0.5773503 0.3876314), wk = 0.0027248 k( 247) = ( 0.3272727 0.5668530 0.3876314), wk = 0.0027248 k( 248) = ( 0.3212121 0.5563557 0.3876314), wk = 0.0027248 k( 249) = ( 0.3151515 0.5458584 0.3876314), wk = 0.0027248 k( 250) = ( 0.3090909 0.5353612 0.3876314), wk = 0.0027248 k( 251) = ( 0.3030303 0.5248639 0.3876314), wk = 0.0027248 k( 252) = ( 0.2969697 0.5143666 0.3876314), wk = 0.0027248 k( 253) = ( 0.2909091 0.5038693 0.3876314), wk = 0.0027248 k( 254) = ( 0.2848485 0.4933720 0.3876314), wk = 0.0027248 k( 255) = ( 0.2787879 0.4828748 0.3876314), wk = 0.0027248 k( 256) = ( 0.2727273 0.4723775 0.3876314), wk = 0.0027248 k( 257) = ( 0.2666667 0.4618802 0.3876314), wk = 0.0027248 k( 258) = ( 0.2606061 0.4513829 0.3876314), wk = 0.0027248 k( 259) = ( 0.2545455 0.4408857 0.3876314), wk = 0.0027248 k( 260) = ( 0.2484849 0.4303884 0.3876314), wk = 0.0027248 k( 261) = ( 0.2424242 0.4198911 0.3876314), wk = 0.0027248 k( 262) = ( 0.2363636 0.4093938 0.3876314), wk = 0.0027248 k( 263) = ( 0.2303030 0.3988965 0.3876314), wk = 0.0027248 k( 264) = ( 0.2242424 0.3883993 0.3876314), wk = 0.0027248 k( 265) = ( 0.2181818 0.3779020 0.3876314), wk = 0.0027248 k( 266) = ( 0.2121212 0.3674047 0.3876314), wk = 0.0027248 k( 267) = ( 0.2060606 0.3569074 0.3876314), wk = 0.0027248 k( 268) = ( 0.2000000 0.3464102 0.3876314), wk = 0.0027248 k( 269) = ( 0.1939394 0.3359129 0.3876314), wk = 0.0027248 k( 270) = ( 0.1878788 0.3254156 0.3876314), wk = 0.0027248 k( 271) = ( 0.1818182 0.3149183 0.3876314), wk = 0.0027248 k( 272) = ( 0.1757576 0.3044211 0.3876314), wk = 0.0027248 k( 273) = ( 0.1696970 0.2939238 0.3876314), wk = 0.0027248 k( 274) = ( 0.1636364 0.2834265 0.3876314), wk = 0.0027248 k( 275) = ( 0.1575758 0.2729292 0.3876314), wk = 0.0027248 k( 276) = ( 0.1515151 0.2624319 0.3876314), wk = 0.0027248 k( 277) = ( 0.1454545 0.2519347 0.3876314), wk = 0.0027248 k( 278) = ( 0.1393939 0.2414374 0.3876314), wk = 0.0027248 k( 279) = ( 0.1333333 0.2309401 0.3876314), wk = 0.0027248 k( 280) = ( 0.1272727 0.2204428 0.3876314), wk = 0.0027248 k( 281) = ( 0.1212121 0.2099456 0.3876314), wk = 0.0027248 k( 282) = ( 0.1151515 0.1994483 0.3876314), wk = 0.0027248 k( 283) = ( 0.1090909 0.1889510 0.3876314), wk = 0.0027248 k( 284) = ( 0.1030303 0.1784537 0.3876314), wk = 0.0027248 k( 285) = ( 0.0969697 0.1679564 0.3876314), wk = 0.0027248 k( 286) = ( 0.0909091 0.1574592 0.3876314), wk = 0.0027248 k( 287) = ( 0.0848485 0.1469619 0.3876314), wk = 0.0027248 k( 288) = ( 0.0787879 0.1364646 0.3876314), wk = 0.0027248 k( 289) = ( 0.0727273 0.1259673 0.3876314), wk = 0.0027248 k( 290) = ( 0.0666667 0.1154701 0.3876314), wk = 0.0027248 k( 291) = ( 0.0606061 0.1049728 0.3876314), wk = 0.0027248 k( 292) = ( 0.0545455 0.0944755 0.3876314), wk = 0.0027248 k( 293) = ( 0.0484849 0.0839782 0.3876314), wk = 0.0027248 k( 294) = ( 0.0424242 0.0734809 0.3876314), wk = 0.0027248 k( 295) = ( 0.0363636 0.0629837 0.3876314), wk = 0.0027248 k( 296) = ( 0.0303030 0.0524864 0.3876314), wk = 0.0027248 k( 297) = ( 0.0242424 0.0419891 0.3876314), wk = 0.0027248 k( 298) = ( 0.0181818 0.0314918 0.3876314), wk = 0.0027248 k( 299) = ( 0.0121212 0.0209946 0.3876314), wk = 0.0027248 k( 300) = ( 0.0060606 0.0104973 0.3876314), wk = 0.0027248 k( 301) = ( 0.0000000 0.0000000 0.3876314), wk = 0.0027248 k( 302) = ( 0.5000000 0.2886751 0.3876314), wk = 0.0027248 k( 303) = ( 0.5000000 0.2886751 0.3755179), wk = 0.0027248 k( 304) = ( 0.5000000 0.2886751 0.3634044), wk = 0.0027248 k( 305) = ( 0.5000000 0.2886751 0.3512909), wk = 0.0027248 k( 306) = ( 0.5000000 0.2886751 0.3391774), wk = 0.0027248 k( 307) = ( 0.5000000 0.2886751 0.3270640), wk = 0.0027248 k( 308) = ( 0.5000000 0.2886751 0.3149505), wk = 0.0027248 k( 309) = ( 0.5000000 0.2886751 0.3028370), wk = 0.0027248 k( 310) = ( 0.5000000 0.2886751 0.2907235), wk = 0.0027248 k( 311) = ( 0.5000000 0.2886751 0.2786100), wk = 0.0027248 k( 312) = ( 0.5000000 0.2886751 0.2664966), wk = 0.0027248 k( 313) = ( 0.5000000 0.2886751 0.2543831), wk = 0.0027248 k( 314) = ( 0.5000000 0.2886751 0.2422696), wk = 0.0027248 k( 315) = ( 0.5000000 0.2886751 0.2301561), wk = 0.0027248 k( 316) = ( 0.5000000 0.2886751 0.2180426), wk = 0.0027248 k( 317) = ( 0.5000000 0.2886751 0.2059292), wk = 0.0027248 k( 318) = ( 0.5000000 0.2886751 0.1938157), wk = 0.0027248 k( 319) = ( 0.5000000 0.2886751 0.1817022), wk = 0.0027248 k( 320) = ( 0.5000000 0.2886751 0.1695887), wk = 0.0027248 k( 321) = ( 0.5000000 0.2886751 0.1574752), wk = 0.0027248 k( 322) = ( 0.5000000 0.2886751 0.1453618), wk = 0.0027248 k( 323) = ( 0.5000000 0.2886751 0.1332483), wk = 0.0027248 k( 324) = ( 0.5000000 0.2886751 0.1211348), wk = 0.0027248 k( 325) = ( 0.5000000 0.2886751 0.1090213), wk = 0.0027248 k( 326) = ( 0.5000000 0.2886751 0.0969078), wk = 0.0027248 k( 327) = ( 0.5000000 0.2886751 0.0847944), wk = 0.0027248 k( 328) = ( 0.5000000 0.2886751 0.0726809), wk = 0.0027248 k( 329) = ( 0.5000000 0.2886751 0.0605674), wk = 0.0027248 k( 330) = ( 0.5000000 0.2886751 0.0484539), wk = 0.0027248 k( 331) = ( 0.5000000 0.2886751 0.0363404), wk = 0.0027248 k( 332) = ( 0.5000000 0.2886751 0.0242270), wk = 0.0027248 k( 333) = ( 0.5000000 0.2886751 0.0121135), wk = 0.0027248 k( 334) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027248 k( 335) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027248 k( 336) = ( 0.3333333 0.5773503 0.0121135), wk = 0.0027248 k( 337) = ( 0.3333333 0.5773503 0.0242270), wk = 0.0027248 k( 338) = ( 0.3333333 0.5773503 0.0363404), wk = 0.0027248 k( 339) = ( 0.3333333 0.5773503 0.0484539), wk = 0.0027248 k( 340) = ( 0.3333333 0.5773503 0.0605674), wk = 0.0027248 k( 341) = ( 0.3333333 0.5773503 0.0726809), wk = 0.0027248 k( 342) = ( 0.3333333 0.5773503 0.0847944), wk = 0.0027248 k( 343) = ( 0.3333333 0.5773503 0.0969078), wk = 0.0027248 k( 344) = ( 0.3333333 0.5773503 0.1090213), wk = 0.0027248 k( 345) = ( 0.3333333 0.5773503 0.1211348), wk = 0.0027248 k( 346) = ( 0.3333333 0.5773503 0.1332483), wk = 0.0027248 k( 347) = ( 0.3333333 0.5773503 0.1453618), wk = 0.0027248 k( 348) = ( 0.3333333 0.5773503 0.1574752), wk = 0.0027248 k( 349) = ( 0.3333333 0.5773503 0.1695887), wk = 0.0027248 k( 350) = ( 0.3333333 0.5773503 0.1817022), wk = 0.0027248 k( 351) = ( 0.3333333 0.5773503 0.1938157), wk = 0.0027248 k( 352) = ( 0.3333333 0.5773503 0.2059292), wk = 0.0027248 k( 353) = ( 0.3333333 0.5773503 0.2180426), wk = 0.0027248 k( 354) = ( 0.3333333 0.5773503 0.2301561), wk = 0.0027248 k( 355) = ( 0.3333333 0.5773503 0.2422696), wk = 0.0027248 k( 356) = ( 0.3333333 0.5773503 0.2543831), wk = 0.0027248 k( 357) = ( 0.3333333 0.5773503 0.2664966), wk = 0.0027248 k( 358) = ( 0.3333333 0.5773503 0.2786100), wk = 0.0027248 k( 359) = ( 0.3333333 0.5773503 0.2907235), wk = 0.0027248 k( 360) = ( 0.3333333 0.5773503 0.3028370), wk = 0.0027248 k( 361) = ( 0.3333333 0.5773503 0.3149505), wk = 0.0027248 k( 362) = ( 0.3333333 0.5773503 0.3270640), wk = 0.0027248 k( 363) = ( 0.3333333 0.5773503 0.3391774), wk = 0.0027248 k( 364) = ( 0.3333333 0.5773503 0.3512909), wk = 0.0027248 k( 365) = ( 0.3333333 0.5773503 0.3634044), wk = 0.0027248 k( 366) = ( 0.3333333 0.5773503 0.3755179), wk = 0.0027248 k( 367) = ( 0.3333333 0.5773503 0.3876314), wk = 0.0027248 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 2) = ( 0.0104167 -0.0000000 -0.0000000), wk = 0.0027248 k( 3) = ( 0.0208333 -0.0000000 0.0000000), wk = 0.0027248 k( 4) = ( 0.0312500 -0.0000000 0.0000000), wk = 0.0027248 k( 5) = ( 0.0416667 -0.0000000 -0.0000000), wk = 0.0027248 k( 6) = ( 0.0520833 -0.0000000 0.0000000), wk = 0.0027248 k( 7) = ( 0.0625000 -0.0000000 0.0000000), wk = 0.0027248 k( 8) = ( 0.0729167 0.0000000 0.0000000), wk = 0.0027248 k( 9) = ( 0.0833333 -0.0000000 0.0000000), wk = 0.0027248 k( 10) = ( 0.0937500 -0.0000000 -0.0000000), wk = 0.0027248 k( 11) = ( 0.1041667 -0.0000000 -0.0000000), wk = 0.0027248 k( 12) = ( 0.1145833 -0.0000000 0.0000000), wk = 0.0027248 k( 13) = ( 0.1250000 -0.0000000 0.0000000), wk = 0.0027248 k( 14) = ( 0.1354167 -0.0000000 0.0000000), wk = 0.0027248 k( 15) = ( 0.1458333 -0.0000000 -0.0000000), wk = 0.0027248 k( 16) = ( 0.1562500 0.0000000 0.0000000), wk = 0.0027248 k( 17) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0027248 k( 18) = ( 0.1770833 -0.0000000 0.0000000), wk = 0.0027248 k( 19) = ( 0.1875000 -0.0000000 -0.0000000), wk = 0.0027248 k( 20) = ( 0.1979167 -0.0000000 0.0000000), wk = 0.0027248 k( 21) = ( 0.2083333 -0.0000000 0.0000000), wk = 0.0027248 k( 22) = ( 0.2187500 -0.0000000 0.0000000), wk = 0.0027248 k( 23) = ( 0.2291667 -0.0000000 0.0000000), wk = 0.0027248 k( 24) = ( 0.2395833 -0.0000000 0.0000000), wk = 0.0027248 k( 25) = ( 0.2500000 -0.0000000 0.0000000), wk = 0.0027248 k( 26) = ( 0.2604167 -0.0000000 0.0000000), wk = 0.0027248 k( 27) = ( 0.2708333 -0.0000000 0.0000000), wk = 0.0027248 k( 28) = ( 0.2812500 -0.0000000 0.0000000), wk = 0.0027248 k( 29) = ( 0.2916667 -0.0000000 0.0000000), wk = 0.0027248 k( 30) = ( 0.3020833 -0.0000000 0.0000000), wk = 0.0027248 k( 31) = ( 0.3125000 0.0000000 0.0000000), wk = 0.0027248 k( 32) = ( 0.3229167 -0.0000000 0.0000000), wk = 0.0027248 k( 33) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0027248 k( 34) = ( 0.3437500 -0.0000000 0.0000000), wk = 0.0027248 k( 35) = ( 0.3541667 -0.0000000 0.0000000), wk = 0.0027248 k( 36) = ( 0.3645833 -0.0000000 0.0000000), wk = 0.0027248 k( 37) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0027248 k( 38) = ( 0.3854167 -0.0000000 0.0000000), wk = 0.0027248 k( 39) = ( 0.3958333 -0.0000000 0.0000000), wk = 0.0027248 k( 40) = ( 0.4062500 -0.0000000 -0.0000000), wk = 0.0027248 k( 41) = ( 0.4166667 -0.0000000 0.0000000), wk = 0.0027248 k( 42) = ( 0.4270833 -0.0000000 0.0000000), wk = 0.0027248 k( 43) = ( 0.4375000 -0.0000000 0.0000000), wk = 0.0027248 k( 44) = ( 0.4479167 -0.0000000 0.0000000), wk = 0.0027248 k( 45) = ( 0.4583333 -0.0000000 0.0000000), wk = 0.0027248 k( 46) = ( 0.4687500 0.0000000 -0.0000000), wk = 0.0027248 k( 47) = ( 0.4791667 -0.0000000 -0.0000000), wk = 0.0027248 k( 48) = ( 0.4895833 -0.0000000 0.0000000), wk = 0.0027248 k( 49) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0027248 k( 50) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0027248 k( 51) = ( 0.4940476 0.0119048 0.0000000), wk = 0.0027248 k( 52) = ( 0.4880952 0.0238095 0.0000000), wk = 0.0027248 k( 53) = ( 0.4821429 0.0357143 0.0000000), wk = 0.0027248 k( 54) = ( 0.4761905 0.0476190 0.0000000), wk = 0.0027248 k( 55) = ( 0.4702381 0.0595238 0.0000000), wk = 0.0027248 k( 56) = ( 0.4642857 0.0714286 0.0000000), wk = 0.0027248 k( 57) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0027248 k( 58) = ( 0.4523810 0.0952381 -0.0000000), wk = 0.0027248 k( 59) = ( 0.4464286 0.1071429 0.0000000), wk = 0.0027248 k( 60) = ( 0.4404762 0.1190476 0.0000000), wk = 0.0027248 k( 61) = ( 0.4345238 0.1309524 0.0000000), wk = 0.0027248 k( 62) = ( 0.4285714 0.1428571 0.0000000), wk = 0.0027248 k( 63) = ( 0.4226190 0.1547619 0.0000000), wk = 0.0027248 k( 64) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0027248 k( 65) = ( 0.4107143 0.1785714 0.0000000), wk = 0.0027248 k( 66) = ( 0.4047619 0.1904762 0.0000000), wk = 0.0027248 k( 67) = ( 0.3988095 0.2023810 -0.0000000), wk = 0.0027248 k( 68) = ( 0.3928571 0.2142857 0.0000000), wk = 0.0027248 k( 69) = ( 0.3869048 0.2261905 0.0000000), wk = 0.0027248 k( 70) = ( 0.3809524 0.2380952 0.0000000), wk = 0.0027248 k( 71) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0027248 k( 72) = ( 0.3690476 0.2619048 -0.0000000), wk = 0.0027248 k( 73) = ( 0.3630952 0.2738095 -0.0000000), wk = 0.0027248 k( 74) = ( 0.3571429 0.2857143 -0.0000000), wk = 0.0027248 k( 75) = ( 0.3511905 0.2976190 0.0000000), wk = 0.0027248 k( 76) = ( 0.3452381 0.3095238 0.0000000), wk = 0.0027248 k( 77) = ( 0.3392857 0.3214286 0.0000000), wk = 0.0027248 k( 78) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027248 k( 79) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027248 k( 80) = ( 0.3272727 0.3272727 0.0000000), wk = 0.0027248 k( 81) = ( 0.3212121 0.3212121 -0.0000000), wk = 0.0027248 k( 82) = ( 0.3151515 0.3151515 0.0000000), wk = 0.0027248 k( 83) = ( 0.3090909 0.3090909 0.0000000), wk = 0.0027248 k( 84) = ( 0.3030303 0.3030303 -0.0000000), wk = 0.0027248 k( 85) = ( 0.2969697 0.2969697 0.0000000), wk = 0.0027248 k( 86) = ( 0.2909091 0.2909091 0.0000000), wk = 0.0027248 k( 87) = ( 0.2848485 0.2848485 0.0000000), wk = 0.0027248 k( 88) = ( 0.2787879 0.2787879 0.0000000), wk = 0.0027248 k( 89) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0027248 k( 90) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0027248 k( 91) = ( 0.2606061 0.2606061 0.0000000), wk = 0.0027248 k( 92) = ( 0.2545455 0.2545454 0.0000000), wk = 0.0027248 k( 93) = ( 0.2484849 0.2484849 0.0000000), wk = 0.0027248 k( 94) = ( 0.2424242 0.2424242 0.0000000), wk = 0.0027248 k( 95) = ( 0.2363636 0.2363636 -0.0000000), wk = 0.0027248 k( 96) = ( 0.2303030 0.2303030 0.0000000), wk = 0.0027248 k( 97) = ( 0.2242424 0.2242424 0.0000000), wk = 0.0027248 k( 98) = ( 0.2181818 0.2181818 0.0000000), wk = 0.0027248 k( 99) = ( 0.2121212 0.2121212 0.0000000), wk = 0.0027248 k( 100) = ( 0.2060606 0.2060606 0.0000000), wk = 0.0027248 k( 101) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0027248 k( 102) = ( 0.1939394 0.1939394 0.0000000), wk = 0.0027248 k( 103) = ( 0.1878788 0.1878788 0.0000000), wk = 0.0027248 k( 104) = ( 0.1818182 0.1818182 0.0000000), wk = 0.0027248 k( 105) = ( 0.1757576 0.1757576 0.0000000), wk = 0.0027248 k( 106) = ( 0.1696970 0.1696970 0.0000000), wk = 0.0027248 k( 107) = ( 0.1636364 0.1636364 0.0000000), wk = 0.0027248 k( 108) = ( 0.1575758 0.1575758 0.0000000), wk = 0.0027248 k( 109) = ( 0.1515151 0.1515151 -0.0000000), wk = 0.0027248 k( 110) = ( 0.1454545 0.1454545 0.0000000), wk = 0.0027248 k( 111) = ( 0.1393939 0.1393939 0.0000000), wk = 0.0027248 k( 112) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0027248 k( 113) = ( 0.1272727 0.1272727 0.0000000), wk = 0.0027248 k( 114) = ( 0.1212121 0.1212121 0.0000000), wk = 0.0027248 k( 115) = ( 0.1151515 0.1151515 0.0000000), wk = 0.0027248 k( 116) = ( 0.1090909 0.1090909 0.0000000), wk = 0.0027248 k( 117) = ( 0.1030303 0.1030303 0.0000000), wk = 0.0027248 k( 118) = ( 0.0969697 0.0969697 0.0000000), wk = 0.0027248 k( 119) = ( 0.0909091 0.0909091 0.0000000), wk = 0.0027248 k( 120) = ( 0.0848485 0.0848485 0.0000000), wk = 0.0027248 k( 121) = ( 0.0787879 0.0787879 0.0000000), wk = 0.0027248 k( 122) = ( 0.0727273 0.0727273 0.0000000), wk = 0.0027248 k( 123) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0027248 k( 124) = ( 0.0606061 0.0606061 0.0000000), wk = 0.0027248 k( 125) = ( 0.0545455 0.0545454 0.0000000), wk = 0.0027248 k( 126) = ( 0.0484849 0.0484849 0.0000000), wk = 0.0027248 k( 127) = ( 0.0424242 0.0424242 0.0000000), wk = 0.0027248 k( 128) = ( 0.0363636 0.0363636 0.0000000), wk = 0.0027248 k( 129) = ( 0.0303030 0.0303030 0.0000000), wk = 0.0027248 k( 130) = ( 0.0242424 0.0242424 0.0000000), wk = 0.0027248 k( 131) = ( 0.0181818 0.0181818 0.0000000), wk = 0.0027248 k( 132) = ( 0.0121212 0.0121212 0.0000000), wk = 0.0027248 k( 133) = ( 0.0060606 0.0060606 0.0000000), wk = 0.0027248 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 136) = ( 0.0000000 0.0000000 0.0156250), wk = 0.0027248 k( 137) = ( 0.0000000 0.0000000 0.0312500), wk = 0.0027248 k( 138) = ( 0.0000000 0.0000000 0.0468750), wk = 0.0027248 k( 139) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0027248 k( 140) = ( 0.0000000 0.0000000 0.0781250), wk = 0.0027248 k( 141) = ( 0.0000000 0.0000000 0.0937500), wk = 0.0027248 k( 142) = ( 0.0000000 0.0000000 0.1093750), wk = 0.0027248 k( 143) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0027248 k( 144) = ( 0.0000000 0.0000000 0.1406250), wk = 0.0027248 k( 145) = ( 0.0000000 0.0000000 0.1562500), wk = 0.0027248 k( 146) = ( 0.0000000 0.0000000 0.1718750), wk = 0.0027248 k( 147) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0027248 k( 148) = ( 0.0000000 0.0000000 0.2031250), wk = 0.0027248 k( 149) = ( 0.0000000 0.0000000 0.2187500), wk = 0.0027248 k( 150) = ( 0.0000000 0.0000000 0.2343750), wk = 0.0027248 k( 151) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027248 k( 152) = ( 0.0000000 0.0000000 0.2656250), wk = 0.0027248 k( 153) = ( 0.0000000 0.0000000 0.2812500), wk = 0.0027248 k( 154) = ( 0.0000000 0.0000000 0.2968750), wk = 0.0027248 k( 155) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0027248 k( 156) = ( 0.0000000 0.0000000 0.3281250), wk = 0.0027248 k( 157) = ( 0.0000000 0.0000000 0.3437500), wk = 0.0027248 k( 158) = ( 0.0000000 0.0000000 0.3593750), wk = 0.0027248 k( 159) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0027248 k( 160) = ( 0.0000000 0.0000000 0.3906250), wk = 0.0027248 k( 161) = ( 0.0000000 0.0000000 0.4062500), wk = 0.0027248 k( 162) = ( 0.0000000 0.0000000 0.4218750), wk = 0.0027248 k( 163) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0027248 k( 164) = ( 0.0000000 0.0000000 0.4531250), wk = 0.0027248 k( 165) = ( 0.0000000 0.0000000 0.4687500), wk = 0.0027248 k( 166) = ( 0.0000000 0.0000000 0.4843750), wk = 0.0027248 k( 167) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027248 k( 168) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027248 k( 169) = ( 0.0104167 -0.0000000 0.5000000), wk = 0.0027248 k( 170) = ( 0.0208333 -0.0000000 0.5000000), wk = 0.0027248 k( 171) = ( 0.0312500 -0.0000000 0.5000000), wk = 0.0027248 k( 172) = ( 0.0416667 -0.0000000 0.5000000), wk = 0.0027248 k( 173) = ( 0.0520833 -0.0000000 0.5000000), wk = 0.0027248 k( 174) = ( 0.0625000 -0.0000000 0.5000000), wk = 0.0027248 k( 175) = ( 0.0729167 0.0000000 0.5000000), wk = 0.0027248 k( 176) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0027248 k( 177) = ( 0.0937500 -0.0000000 0.5000000), wk = 0.0027248 k( 178) = ( 0.1041667 -0.0000000 0.5000000), wk = 0.0027248 k( 179) = ( 0.1145833 -0.0000000 0.5000000), wk = 0.0027248 k( 180) = ( 0.1250000 -0.0000000 0.5000000), wk = 0.0027248 k( 181) = ( 0.1354167 -0.0000000 0.5000000), wk = 0.0027248 k( 182) = ( 0.1458333 -0.0000000 0.5000000), wk = 0.0027248 k( 183) = ( 0.1562500 0.0000000 0.5000000), wk = 0.0027248 k( 184) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0027248 k( 185) = ( 0.1770833 -0.0000000 0.5000000), wk = 0.0027248 k( 186) = ( 0.1875000 -0.0000000 0.5000000), wk = 0.0027248 k( 187) = ( 0.1979167 -0.0000000 0.5000000), wk = 0.0027248 k( 188) = ( 0.2083333 -0.0000000 0.5000000), wk = 0.0027248 k( 189) = ( 0.2187500 -0.0000000 0.5000000), wk = 0.0027248 k( 190) = ( 0.2291667 -0.0000000 0.5000000), wk = 0.0027248 k( 191) = ( 0.2395833 -0.0000000 0.5000000), wk = 0.0027248 k( 192) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0027248 k( 193) = ( 0.2604167 -0.0000000 0.5000000), wk = 0.0027248 k( 194) = ( 0.2708333 -0.0000000 0.5000000), wk = 0.0027248 k( 195) = ( 0.2812500 -0.0000000 0.5000000), wk = 0.0027248 k( 196) = ( 0.2916667 -0.0000000 0.5000000), wk = 0.0027248 k( 197) = ( 0.3020833 -0.0000000 0.5000000), wk = 0.0027248 k( 198) = ( 0.3125000 0.0000000 0.5000000), wk = 0.0027248 k( 199) = ( 0.3229167 -0.0000000 0.5000000), wk = 0.0027248 k( 200) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0027248 k( 201) = ( 0.3437500 -0.0000000 0.5000000), wk = 0.0027248 k( 202) = ( 0.3541667 -0.0000000 0.5000000), wk = 0.0027248 k( 203) = ( 0.3645833 -0.0000000 0.5000000), wk = 0.0027248 k( 204) = ( 0.3750000 -0.0000000 0.5000000), wk = 0.0027248 k( 205) = ( 0.3854167 -0.0000000 0.5000000), wk = 0.0027248 k( 206) = ( 0.3958333 -0.0000000 0.5000000), wk = 0.0027248 k( 207) = ( 0.4062500 -0.0000000 0.5000000), wk = 0.0027248 k( 208) = ( 0.4166667 -0.0000000 0.5000000), wk = 0.0027248 k( 209) = ( 0.4270833 -0.0000000 0.5000000), wk = 0.0027248 k( 210) = ( 0.4375000 -0.0000000 0.5000000), wk = 0.0027248 k( 211) = ( 0.4479167 -0.0000000 0.5000000), wk = 0.0027248 k( 212) = ( 0.4583333 -0.0000000 0.5000000), wk = 0.0027248 k( 213) = ( 0.4687500 0.0000000 0.5000000), wk = 0.0027248 k( 214) = ( 0.4791667 -0.0000000 0.5000000), wk = 0.0027248 k( 215) = ( 0.4895833 -0.0000000 0.5000000), wk = 0.0027248 k( 216) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0027248 k( 217) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0027248 k( 218) = ( 0.4940476 0.0119048 0.5000000), wk = 0.0027248 k( 219) = ( 0.4880952 0.0238095 0.5000000), wk = 0.0027248 k( 220) = ( 0.4821429 0.0357143 0.5000000), wk = 0.0027248 k( 221) = ( 0.4761905 0.0476190 0.5000000), wk = 0.0027248 k( 222) = ( 0.4702381 0.0595238 0.5000000), wk = 0.0027248 k( 223) = ( 0.4642857 0.0714286 0.5000000), wk = 0.0027248 k( 224) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0027248 k( 225) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0027248 k( 226) = ( 0.4464286 0.1071429 0.5000000), wk = 0.0027248 k( 227) = ( 0.4404762 0.1190476 0.5000000), wk = 0.0027248 k( 228) = ( 0.4345238 0.1309524 0.5000000), wk = 0.0027248 k( 229) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0027248 k( 230) = ( 0.4226190 0.1547619 0.5000000), wk = 0.0027248 k( 231) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0027248 k( 232) = ( 0.4107143 0.1785714 0.5000000), wk = 0.0027248 k( 233) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0027248 k( 234) = ( 0.3988095 0.2023810 0.5000000), wk = 0.0027248 k( 235) = ( 0.3928571 0.2142857 0.5000000), wk = 0.0027248 k( 236) = ( 0.3869048 0.2261905 0.5000000), wk = 0.0027248 k( 237) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0027248 k( 238) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0027248 k( 239) = ( 0.3690476 0.2619048 0.5000000), wk = 0.0027248 k( 240) = ( 0.3630952 0.2738095 0.5000000), wk = 0.0027248 k( 241) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0027248 k( 242) = ( 0.3511905 0.2976190 0.5000000), wk = 0.0027248 k( 243) = ( 0.3452381 0.3095238 0.5000000), wk = 0.0027248 k( 244) = ( 0.3392857 0.3214286 0.5000000), wk = 0.0027248 k( 245) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027248 k( 246) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027248 k( 247) = ( 0.3272727 0.3272727 0.5000000), wk = 0.0027248 k( 248) = ( 0.3212121 0.3212121 0.5000000), wk = 0.0027248 k( 249) = ( 0.3151515 0.3151515 0.5000000), wk = 0.0027248 k( 250) = ( 0.3090909 0.3090909 0.5000000), wk = 0.0027248 k( 251) = ( 0.3030303 0.3030303 0.5000000), wk = 0.0027248 k( 252) = ( 0.2969697 0.2969697 0.5000000), wk = 0.0027248 k( 253) = ( 0.2909091 0.2909091 0.5000000), wk = 0.0027248 k( 254) = ( 0.2848485 0.2848485 0.5000000), wk = 0.0027248 k( 255) = ( 0.2787879 0.2787879 0.5000000), wk = 0.0027248 k( 256) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0027248 k( 257) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0027248 k( 258) = ( 0.2606061 0.2606061 0.5000000), wk = 0.0027248 k( 259) = ( 0.2545455 0.2545454 0.5000000), wk = 0.0027248 k( 260) = ( 0.2484849 0.2484849 0.5000000), wk = 0.0027248 k( 261) = ( 0.2424242 0.2424242 0.5000000), wk = 0.0027248 k( 262) = ( 0.2363636 0.2363636 0.5000000), wk = 0.0027248 k( 263) = ( 0.2303030 0.2303030 0.5000000), wk = 0.0027248 k( 264) = ( 0.2242424 0.2242424 0.5000000), wk = 0.0027248 k( 265) = ( 0.2181818 0.2181818 0.5000000), wk = 0.0027248 k( 266) = ( 0.2121212 0.2121212 0.5000000), wk = 0.0027248 k( 267) = ( 0.2060606 0.2060606 0.5000000), wk = 0.0027248 k( 268) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0027248 k( 269) = ( 0.1939394 0.1939394 0.5000000), wk = 0.0027248 k( 270) = ( 0.1878788 0.1878788 0.5000000), wk = 0.0027248 k( 271) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0027248 k( 272) = ( 0.1757576 0.1757576 0.5000000), wk = 0.0027248 k( 273) = ( 0.1696970 0.1696970 0.5000000), wk = 0.0027248 k( 274) = ( 0.1636364 0.1636364 0.5000000), wk = 0.0027248 k( 275) = ( 0.1575758 0.1575758 0.5000000), wk = 0.0027248 k( 276) = ( 0.1515151 0.1515151 0.5000000), wk = 0.0027248 k( 277) = ( 0.1454545 0.1454545 0.5000000), wk = 0.0027248 k( 278) = ( 0.1393939 0.1393939 0.5000000), wk = 0.0027248 k( 279) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0027248 k( 280) = ( 0.1272727 0.1272727 0.5000000), wk = 0.0027248 k( 281) = ( 0.1212121 0.1212121 0.5000000), wk = 0.0027248 k( 282) = ( 0.1151515 0.1151515 0.5000000), wk = 0.0027248 k( 283) = ( 0.1090909 0.1090909 0.5000000), wk = 0.0027248 k( 284) = ( 0.1030303 0.1030303 0.5000000), wk = 0.0027248 k( 285) = ( 0.0969697 0.0969697 0.5000000), wk = 0.0027248 k( 286) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0027248 k( 287) = ( 0.0848485 0.0848485 0.5000000), wk = 0.0027248 k( 288) = ( 0.0787879 0.0787879 0.5000000), wk = 0.0027248 k( 289) = ( 0.0727273 0.0727273 0.5000000), wk = 0.0027248 k( 290) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0027248 k( 291) = ( 0.0606061 0.0606061 0.5000000), wk = 0.0027248 k( 292) = ( 0.0545455 0.0545454 0.5000000), wk = 0.0027248 k( 293) = ( 0.0484849 0.0484849 0.5000000), wk = 0.0027248 k( 294) = ( 0.0424242 0.0424242 0.5000000), wk = 0.0027248 k( 295) = ( 0.0363636 0.0363636 0.5000000), wk = 0.0027248 k( 296) = ( 0.0303030 0.0303030 0.5000000), wk = 0.0027248 k( 297) = ( 0.0242424 0.0242424 0.5000000), wk = 0.0027248 k( 298) = ( 0.0181818 0.0181818 0.5000000), wk = 0.0027248 k( 299) = ( 0.0121212 0.0121212 0.5000000), wk = 0.0027248 k( 300) = ( 0.0060606 0.0060606 0.5000000), wk = 0.0027248 k( 301) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027248 k( 302) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0027248 k( 303) = ( 0.5000000 -0.0000000 0.4843750), wk = 0.0027248 k( 304) = ( 0.5000000 -0.0000000 0.4687500), wk = 0.0027248 k( 305) = ( 0.5000000 -0.0000000 0.4531250), wk = 0.0027248 k( 306) = ( 0.5000000 -0.0000000 0.4375000), wk = 0.0027248 k( 307) = ( 0.5000000 -0.0000000 0.4218750), wk = 0.0027248 k( 308) = ( 0.5000000 -0.0000000 0.4062500), wk = 0.0027248 k( 309) = ( 0.5000000 -0.0000000 0.3906250), wk = 0.0027248 k( 310) = ( 0.5000000 -0.0000000 0.3750000), wk = 0.0027248 k( 311) = ( 0.5000000 -0.0000000 0.3593750), wk = 0.0027248 k( 312) = ( 0.5000000 -0.0000000 0.3437500), wk = 0.0027248 k( 313) = ( 0.5000000 -0.0000000 0.3281250), wk = 0.0027248 k( 314) = ( 0.5000000 -0.0000000 0.3125000), wk = 0.0027248 k( 315) = ( 0.5000000 -0.0000000 0.2968750), wk = 0.0027248 k( 316) = ( 0.5000000 -0.0000000 0.2812500), wk = 0.0027248 k( 317) = ( 0.5000000 -0.0000000 0.2656250), wk = 0.0027248 k( 318) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0027248 k( 319) = ( 0.5000000 -0.0000000 0.2343750), wk = 0.0027248 k( 320) = ( 0.5000000 -0.0000000 0.2187500), wk = 0.0027248 k( 321) = ( 0.5000000 -0.0000000 0.2031250), wk = 0.0027248 k( 322) = ( 0.5000000 -0.0000000 0.1875000), wk = 0.0027248 k( 323) = ( 0.5000000 -0.0000000 0.1718750), wk = 0.0027248 k( 324) = ( 0.5000000 -0.0000000 0.1562500), wk = 0.0027248 k( 325) = ( 0.5000000 -0.0000000 0.1406250), wk = 0.0027248 k( 326) = ( 0.5000000 -0.0000000 0.1250000), wk = 0.0027248 k( 327) = ( 0.5000000 -0.0000000 0.1093750), wk = 0.0027248 k( 328) = ( 0.5000000 -0.0000000 0.0937500), wk = 0.0027248 k( 329) = ( 0.5000000 -0.0000000 0.0781250), wk = 0.0027248 k( 330) = ( 0.5000000 -0.0000000 0.0625000), wk = 0.0027248 k( 331) = ( 0.5000000 -0.0000000 0.0468750), wk = 0.0027248 k( 332) = ( 0.5000000 -0.0000000 0.0312500), wk = 0.0027248 k( 333) = ( 0.5000000 -0.0000000 0.0156250), wk = 0.0027248 k( 334) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0027248 k( 335) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027248 k( 336) = ( 0.3333333 0.3333333 0.0156250), wk = 0.0027248 k( 337) = ( 0.3333333 0.3333333 0.0312500), wk = 0.0027248 k( 338) = ( 0.3333333 0.3333333 0.0468750), wk = 0.0027248 k( 339) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0027248 k( 340) = ( 0.3333333 0.3333333 0.0781250), wk = 0.0027248 k( 341) = ( 0.3333333 0.3333333 0.0937500), wk = 0.0027248 k( 342) = ( 0.3333333 0.3333333 0.1093750), wk = 0.0027248 k( 343) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0027248 k( 344) = ( 0.3333333 0.3333333 0.1406250), wk = 0.0027248 k( 345) = ( 0.3333333 0.3333333 0.1562500), wk = 0.0027248 k( 346) = ( 0.3333333 0.3333333 0.1718750), wk = 0.0027248 k( 347) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0027248 k( 348) = ( 0.3333333 0.3333333 0.2031250), wk = 0.0027248 k( 349) = ( 0.3333333 0.3333333 0.2187500), wk = 0.0027248 k( 350) = ( 0.3333333 0.3333333 0.2343750), wk = 0.0027248 k( 351) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0027248 k( 352) = ( 0.3333333 0.3333333 0.2656250), wk = 0.0027248 k( 353) = ( 0.3333333 0.3333333 0.2812500), wk = 0.0027248 k( 354) = ( 0.3333333 0.3333333 0.2968750), wk = 0.0027248 k( 355) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0027248 k( 356) = ( 0.3333333 0.3333333 0.3281250), wk = 0.0027248 k( 357) = ( 0.3333333 0.3333333 0.3437500), wk = 0.0027248 k( 358) = ( 0.3333333 0.3333333 0.3593750), wk = 0.0027248 k( 359) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0027248 k( 360) = ( 0.3333333 0.3333333 0.3906250), wk = 0.0027248 k( 361) = ( 0.3333333 0.3333333 0.4062500), wk = 0.0027248 k( 362) = ( 0.3333333 0.3333333 0.4218750), wk = 0.0027248 k( 363) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0027248 k( 364) = ( 0.3333333 0.3333333 0.4531250), wk = 0.0027248 k( 365) = ( 0.3333333 0.3333333 0.4687500), wk = 0.0027248 k( 366) = ( 0.3333333 0.3333333 0.4843750), wk = 0.0027248 k( 367) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027248 Dense grid: 26019 G-vectors FFT dimensions: ( 36, 36, 45) Smooth grid: 16743 G-vectors FFT dimensions: ( 32, 32, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 92, 58) NL pseudopotentials 0.12 Mb ( 46, 164) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 546) G-vector shells 0.00 Mb ( 264) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.33 Mb ( 92, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.29 Mb ( 164, 2, 58) The potential is recalculated from file : ./SiNi2.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.1 secs Computing kpt #: 2 total cpu time spent up to now is 43.0 secs Computing kpt #: 3 total cpu time spent up to now is 45.0 secs Computing kpt #: 4 total cpu time spent up to now is 47.0 secs Computing kpt #: 5 total cpu time spent up to now is 49.0 secs Computing kpt #: 6 total cpu time spent up to now is 51.1 secs Computing kpt #: 7 total cpu time spent up to now is 53.3 secs Computing kpt #: 8 total cpu time spent up to now is 55.4 secs Computing kpt #: 9 total cpu time spent up to now is 57.5 secs Computing kpt #: 10 total cpu time spent up to now is 59.5 secs Computing kpt #: 11 total cpu time spent up to now is 61.4 secs Computing kpt #: 12 total cpu time spent up to now is 63.5 secs Computing kpt #: 13 total cpu time spent up to now is 65.4 secs Computing kpt #: 14 total cpu time spent up to now is 67.2 secs Computing kpt #: 15 total cpu time spent up to now is 69.0 secs Computing kpt #: 16 total cpu time spent up to now is 70.7 secs Computing kpt #: 17 total cpu time spent up to now is 72.4 secs Computing kpt #: 18 total cpu time spent up to now is 74.0 secs Computing kpt #: 19 total cpu time spent up to now is 75.6 secs Computing kpt #: 20 total cpu time spent up to now is 77.2 secs Computing kpt #: 21 total cpu time spent up to now is 78.7 secs Computing kpt #: 22 total cpu time spent up to now is 80.3 secs Computing kpt #: 23 total cpu time spent up to now is 81.8 secs Computing kpt #: 24 total cpu time spent up to now is 83.3 secs Computing kpt #: 25 total cpu time spent up to now is 84.8 secs Computing kpt #: 26 total cpu time spent up to now is 86.3 secs Computing kpt #: 27 total cpu time spent up to now is 87.8 secs Computing kpt #: 28 total cpu time spent up to now is 89.3 secs Computing kpt #: 29 total cpu time spent up to now is 90.8 secs Computing kpt #: 30 total cpu time spent up to now is 92.3 secs Computing kpt #: 31 total cpu time spent up to now is 93.8 secs Computing kpt #: 32 total cpu time spent up to now is 95.3 secs Computing kpt #: 33 total cpu time spent up to now is 96.8 secs Computing kpt #: 34 total cpu time spent up to now is 98.2 secs Computing kpt #: 35 total cpu time spent up to now is 99.7 secs Computing kpt #: 36 total cpu time spent up to now is 101.2 secs Computing kpt #: 37 total cpu time spent up to now is 102.6 secs Computing kpt #: 38 total cpu time spent up to now is 104.1 secs Computing kpt #: 39 total cpu time spent up to now is 105.6 secs Computing kpt #: 40 total cpu time spent up to now is 107.1 secs Computing kpt #: 41 total cpu time spent up to now is 108.6 secs Computing kpt #: 42 total cpu time spent up to now is 110.0 secs Computing kpt #: 43 total cpu time spent up to now is 111.5 secs Computing kpt #: 44 total cpu time spent up to now is 112.9 secs Computing kpt #: 45 total cpu time spent up to now is 114.4 secs Computing kpt #: 46 total cpu time spent up to now is 115.8 secs Computing kpt #: 47 total cpu time spent up to now is 117.2 secs Computing kpt #: 48 total cpu time spent up to now is 118.9 secs Computing kpt #: 49 total cpu time spent up to now is 120.3 secs Computing kpt #: 50 total cpu time spent up to now is 121.8 secs Computing kpt #: 51 total cpu time spent up to now is 123.4 secs Computing kpt #: 52 total cpu time spent up to now is 125.0 secs Computing kpt #: 53 total cpu time spent up to now is 126.4 secs Computing kpt #: 54 total cpu time spent up to now is 127.9 secs Computing kpt #: 55 total cpu time spent up to now is 129.3 secs Computing kpt #: 56 total cpu time spent up to now is 130.8 secs Computing kpt #: 57 total cpu time spent up to now is 132.2 secs Computing kpt #: 58 total cpu time spent up to now is 133.7 secs Computing kpt #: 59 total cpu time spent up to now is 135.1 secs Computing kpt #: 60 total cpu time spent up to now is 136.6 secs Computing kpt #: 61 total cpu time spent up to now is 138.2 secs Computing kpt #: 62 total cpu time spent up to now is 139.8 secs Computing kpt #: 63 total cpu time spent up to now is 141.5 secs Computing kpt #: 64 total cpu time spent up to now is 143.3 secs Computing kpt #: 65 total cpu time spent up to now is 145.3 secs Computing kpt #: 66 total cpu time spent up to now is 147.9 secs Computing kpt #: 67 total cpu time spent up to now is 150.0 secs Computing kpt #: 68 total cpu time spent up to now is 151.8 secs Computing kpt #: 69 total cpu time spent up to now is 153.6 secs Computing kpt #: 70 total cpu time spent up to now is 155.2 secs Computing kpt #: 71 total cpu time spent up to now is 156.7 secs Computing kpt #: 72 total cpu time spent up to now is 158.2 secs Computing kpt #: 73 total cpu time spent up to now is 159.7 secs Computing kpt #: 74 total cpu time spent up to now is 161.3 secs Computing kpt #: 75 total cpu time spent up to now is 162.8 secs Computing kpt #: 76 total cpu time spent up to now is 164.2 secs Computing kpt #: 77 total cpu time spent up to now is 165.6 secs Computing kpt #: 78 total cpu time spent up to now is 167.1 secs Computing kpt #: 79 total cpu time spent up to now is 168.5 secs Computing kpt #: 80 total cpu time spent up to now is 170.0 secs Computing kpt #: 81 total cpu time spent up to now is 171.5 secs Computing kpt #: 82 total cpu time spent up to now is 172.9 secs Computing kpt #: 83 total cpu time spent up to now is 174.3 secs Computing kpt #: 84 total cpu time spent up to now is 175.8 secs Computing kpt #: 85 total cpu time spent up to now is 177.3 secs Computing kpt #: 86 total cpu time spent up to now is 178.7 secs Computing kpt #: 87 total cpu time spent up to now is 180.2 secs Computing kpt #: 88 total cpu time spent up to now is 181.7 secs Computing kpt #: 89 total cpu time spent up to now is 183.2 secs Computing kpt #: 90 total cpu time spent up to now is 184.8 secs Computing kpt #: 91 total cpu time spent up to now is 186.3 secs Computing kpt #: 92 total cpu time spent up to now is 187.9 secs Computing kpt #: 93 total cpu time spent up to now is 189.6 secs Computing kpt #: 94 total cpu time spent up to now is 191.3 secs Computing kpt #: 95 total cpu time spent up to now is 193.1 secs Computing kpt #: 96 total cpu time spent up to now is 195.2 secs Computing kpt #: 97 total cpu time spent up to now is 197.7 secs Computing kpt #: 98 total cpu time spent up to now is 200.4 secs Computing kpt #: 99 total cpu time spent up to now is 203.1 secs Computing kpt #: 100 total cpu time spent up to now is 205.8 secs Computing kpt #: 101 total cpu time spent up to now is 208.0 secs Computing kpt #: 102 total cpu time spent up to now is 209.9 secs Computing kpt #: 103 total cpu time spent up to now is 211.7 secs Computing kpt #: 104 total cpu time spent up to now is 213.7 secs Computing kpt #: 105 total cpu time spent up to now is 215.5 secs Computing kpt 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total cpu time spent up to now is 246.8 secs Computing kpt #: 122 total cpu time spent up to now is 249.1 secs Computing kpt #: 123 total cpu time spent up to now is 251.4 secs Computing kpt #: 124 total cpu time spent up to now is 254.7 secs Computing kpt #: 125 total cpu time spent up to now is 257.1 secs Computing kpt #: 126 total cpu time spent up to now is 259.8 secs Computing kpt #: 127 total cpu time spent up to now is 262.0 secs Computing kpt #: 128 total cpu time spent up to now is 264.2 secs Computing kpt #: 129 total cpu time spent up to now is 266.3 secs Computing kpt #: 130 total cpu time spent up to now is 268.3 secs Computing kpt #: 131 total cpu time spent up to now is 270.3 secs Computing kpt #: 132 total cpu time spent up to now is 272.1 secs Computing kpt #: 133 total cpu time spent up to now is 273.9 secs Computing kpt #: 134 total cpu time spent up to now is 275.7 secs Computing kpt #: 135 total cpu time spent up to now is 277.4 secs Computing kpt #: 136 total cpu time spent up to now is 279.1 secs Computing kpt #: 137 total cpu time spent up to now is 280.9 secs Computing kpt #: 138 total cpu time spent up to now is 282.6 secs Computing kpt #: 139 total cpu time spent up to now is 284.3 secs Computing kpt #: 140 total cpu time spent up to now is 286.1 secs Computing kpt #: 141 total cpu time spent up to now is 287.8 secs Computing kpt #: 142 total cpu time spent up to now is 289.5 secs Computing kpt #: 143 total cpu time spent up to now is 291.3 secs Computing kpt #: 144 total cpu time spent up to now is 293.1 secs Computing kpt #: 145 total cpu time spent up to now is 294.8 secs Computing kpt #: 146 total cpu time spent up to now is 296.6 secs Computing kpt #: 147 total cpu time spent up to now is 298.5 secs Computing kpt #: 148 total cpu time spent up to now is 300.4 secs Computing kpt #: 149 total cpu time spent up to now is 302.4 secs Computing kpt #: 150 total cpu time spent up to now is 304.3 secs Computing kpt #: 151 total cpu time spent up to now is 306.3 secs Computing kpt #: 152 total cpu time spent up to now is 308.4 secs Computing kpt #: 153 total cpu time spent up to now is 310.5 secs Computing kpt #: 154 total cpu time spent up to now is 312.7 secs Computing kpt #: 155 total cpu time spent up to now is 315.0 secs Computing kpt #: 156 total cpu time spent up to now is 317.3 secs Computing kpt #: 157 total cpu time spent up to now is 320.0 secs Computing kpt #: 158 total cpu time spent up to now is 322.4 secs Computing kpt #: 159 total cpu time spent up to now is 324.8 secs Computing kpt #: 160 total cpu time spent up to now is 327.2 secs Computing kpt #: 161 total cpu time spent up to now is 329.5 secs Computing kpt #: 162 total cpu time spent up to now is 331.8 secs Computing kpt #: 163 total cpu time spent up to now is 333.9 secs Computing kpt #: 164 total cpu time spent up to now is 336.0 secs Computing kpt #: 165 total cpu time spent up to now is 337.9 secs Computing kpt #: 166 total cpu time spent up to now is 339.9 secs Computing kpt #: 167 total cpu time spent up to now is 342.0 secs Computing kpt #: 168 total cpu time spent up to now is 344.1 secs Computing kpt #: 169 total cpu time spent up to now is 346.1 secs Computing kpt #: 170 total cpu time spent up to now is 348.1 secs Computing kpt #: 171 total cpu time spent up to now is 350.1 secs Computing kpt #: 172 total cpu time spent up to now is 352.1 secs Computing kpt #: 173 total cpu time spent up to now is 353.9 secs Computing kpt #: 174 total cpu time spent up to now is 355.9 secs Computing kpt #: 175 total cpu time spent up to now is 357.7 secs Computing kpt #: 176 total cpu time spent up to now is 359.5 secs Computing kpt #: 177 total cpu time spent up to now is 361.3 secs Computing kpt #: 178 total cpu time spent up to now is 363.1 secs Computing kpt #: 179 total cpu time spent up to now is 364.9 secs Computing kpt #: 180 total cpu time spent up to now is 366.7 secs Computing kpt #: 181 total cpu time spent up to now is 368.5 secs Computing kpt #: 182 total cpu time spent up to now is 370.3 secs Computing kpt #: 183 total cpu time spent up to now is 372.1 secs Computing kpt #: 184 total cpu time spent up to now is 373.8 secs Computing kpt #: 185 total cpu time spent up to now is 375.6 secs Computing kpt #: 186 total cpu time spent up to now is 377.2 secs Computing kpt #: 187 total cpu time spent up to now is 378.9 secs Computing kpt #: 188 total cpu time spent up to now is 380.7 secs Computing kpt #: 189 total cpu time spent up to now is 382.5 secs Computing kpt #: 190 total cpu time spent up to now is 384.2 secs Computing kpt #: 191 total cpu time spent up to now is 386.0 secs Computing kpt #: 192 total cpu time spent up to now is 387.7 secs Computing kpt #: 193 total cpu time spent up to now is 389.3 secs Computing kpt #: 194 total cpu time spent up to now is 391.0 secs Computing kpt #: 195 total cpu time spent up to now is 392.7 secs Computing kpt #: 196 total cpu time spent up to now is 394.4 secs Computing kpt #: 197 total cpu time spent up to now is 396.1 secs Computing kpt #: 198 total cpu time spent up to now is 397.7 secs Computing kpt #: 199 total cpu time spent up to now is 399.4 secs Computing kpt #: 200 total cpu time spent up to now is 401.0 secs Computing kpt #: 201 total cpu time spent up to now is 402.7 secs Computing kpt #: 202 total cpu time spent up to now is 404.3 secs Computing kpt #: 203 total cpu time spent up to now is 405.9 secs Computing kpt #: 204 total cpu time spent up to now is 407.5 secs Computing kpt #: 205 total cpu time spent up to now is 409.2 secs Computing kpt #: 206 total cpu time spent up to now is 410.8 secs Computing kpt #: 207 total cpu time spent up to now is 412.5 secs Computing kpt #: 208 total cpu time spent up to now is 414.2 secs Computing kpt #: 209 total cpu time spent up to now is 415.9 secs Computing kpt #: 210 total cpu time spent up to now is 417.7 secs Computing kpt #: 211 total cpu time spent up to now is 419.5 secs Computing kpt #: 212 total cpu time spent up to now is 421.3 secs Computing kpt #: 213 total cpu time spent up to now is 423.2 secs Computing kpt #: 214 total cpu time spent up to now is 425.0 secs Computing kpt #: 215 total cpu time spent up to now is 426.9 secs Computing kpt #: 216 total cpu time spent up to now is 428.8 secs Computing kpt #: 217 total cpu time spent up to now is 430.7 secs Computing kpt #: 218 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 434.9 secs Computing kpt #: 219 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 439.0 secs Computing kpt #: 220 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 443.0 secs Computing kpt #: 221 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 447.0 secs Computing kpt #: 222 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 451.1 secs Computing kpt #: 223 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 455.1 secs Computing kpt #: 224 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 459.2 secs Computing kpt #: 225 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 463.3 secs Computing kpt #: 226 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 467.4 secs Computing kpt #: 227 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 471.4 secs Computing kpt #: 228 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 475.5 secs Computing kpt #: 229 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 479.6 secs Computing kpt #: 230 total cpu time spent up to now is 482.0 secs Computing kpt #: 231 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 486.2 secs Computing kpt #: 232 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 490.3 secs Computing kpt #: 233 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 494.6 secs Computing kpt #: 234 total cpu time spent up to now is 498.3 secs Computing kpt #: 235 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 502.2 secs Computing kpt #: 236 total cpu time spent up to now is 505.7 secs Computing kpt #: 237 total cpu time spent up to now is 508.3 secs Computing kpt #: 238 total cpu time spent up to now is 510.7 secs Computing kpt #: 239 total cpu time spent up to now is 513.1 secs Computing kpt #: 240 total cpu time spent up to now is 515.5 secs Computing kpt #: 241 total cpu time spent up to now is 517.9 secs Computing kpt #: 242 total cpu time spent up to now is 520.4 secs Computing kpt #: 243 total cpu time spent up to now is 522.7 secs Computing kpt #: 244 total cpu time spent up to now is 525.2 secs Computing kpt #: 245 total cpu time spent up to now is 527.5 secs Computing kpt #: 246 total cpu time spent up to now is 529.8 secs Computing kpt #: 247 total cpu time spent up to now is 532.2 secs Computing kpt #: 248 total cpu time spent up to now is 534.6 secs Computing kpt #: 249 total cpu time spent up to now is 537.0 secs Computing kpt #: 250 total cpu time spent up to now is 539.4 secs Computing kpt #: 251 total cpu time spent up to now is 541.8 secs Computing kpt #: 252 total cpu time spent up to now is 544.3 secs Computing kpt #: 253 total cpu time spent up to now is 546.8 secs Computing kpt #: 254 total cpu time spent up to now is 549.4 secs Computing kpt #: 255 total cpu time spent up to now is 552.8 secs Computing kpt #: 256 total cpu time spent up to now is 556.0 secs Computing kpt #: 257 total cpu time spent up to now is 558.6 secs Computing kpt #: 258 total cpu time spent up to now is 562.1 secs Computing kpt #: 259 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 566.2 secs Computing kpt #: 260 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 570.4 secs Computing kpt #: 261 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 574.5 secs Computing kpt #: 262 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 578.6 secs Computing kpt #: 263 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 582.7 secs Computing kpt #: 264 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 586.8 secs Computing kpt #: 265 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 591.0 secs Computing kpt #: 266 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 595.0 secs Computing kpt #: 267 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 599.1 secs Computing kpt #: 268 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 603.2 secs Computing kpt #: 269 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 607.3 secs Computing kpt #: 270 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 611.3 secs Computing kpt #: 271 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 615.3 secs Computing kpt #: 272 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 619.4 secs Computing kpt #: 273 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 623.5 secs Computing kpt #: 274 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 627.6 secs Computing kpt #: 275 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 631.6 secs Computing kpt #: 276 total cpu time spent up to now is 634.9 secs Computing kpt #: 277 total cpu time spent up to now is 638.2 secs Computing kpt #: 278 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 642.1 secs Computing kpt #: 279 total cpu time spent up to now is 645.0 secs Computing kpt #: 280 total cpu time spent up to now is 647.9 secs Computing kpt #: 281 total cpu time spent up to now is 650.7 secs Computing kpt #: 282 total cpu time spent up to now is 653.5 secs Computing kpt #: 283 total cpu time spent up to now is 657.2 secs Computing kpt #: 284 total cpu time spent up to now is 659.5 secs Computing kpt #: 285 total cpu time spent up to now is 662.9 secs Computing kpt #: 286 total cpu time spent up to now is 665.4 secs Computing kpt #: 287 total cpu time spent up to now is 668.2 secs Computing kpt #: 288 total cpu time spent up to now is 671.4 secs Computing kpt #: 289 total cpu time spent up to now is 674.1 secs Computing kpt #: 290 total cpu time spent up to now is 677.0 secs Computing kpt #: 291 total cpu time spent up to now is 679.7 secs Computing kpt #: 292 total cpu time spent up to now is 682.3 secs Computing kpt #: 293 total cpu time spent up to now is 685.0 secs Computing kpt #: 294 total cpu time spent up to now is 687.5 secs Computing kpt #: 295 total cpu time spent up to now is 690.0 secs Computing kpt #: 296 total cpu time spent up to now is 692.5 secs Computing kpt #: 297 total cpu time spent up to now is 696.0 secs Computing kpt #: 298 total cpu time spent up to now is 699.1 secs Computing kpt #: 299 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 703.2 secs Computing kpt #: 300 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 707.6 secs Computing kpt #: 301 total cpu time spent up to now is 709.7 secs Computing kpt #: 302 total cpu time spent up to now is 711.6 secs Computing kpt #: 303 total cpu time spent up to now is 713.8 secs Computing kpt #: 304 total cpu time spent up to now is 715.7 secs Computing kpt #: 305 total cpu time spent up to now is 717.7 secs Computing kpt #: 306 total cpu time spent up to now is 719.6 secs Computing kpt #: 307 total cpu time spent up to now is 721.3 secs Computing kpt #: 308 total cpu time spent up to now is 723.0 secs Computing kpt #: 309 total cpu time spent up to now is 724.6 secs Computing kpt #: 310 total cpu time spent up to now is 726.2 secs Computing kpt #: 311 total cpu time spent up to now is 727.9 secs Computing kpt #: 312 total cpu time spent up to now is 729.5 secs Computing kpt #: 313 total cpu time spent up to now is 731.1 secs Computing kpt #: 314 total cpu time spent up to now is 732.7 secs Computing kpt #: 315 total cpu time spent up to now is 734.3 secs Computing kpt #: 316 total cpu time spent up to now is 735.8 secs Computing kpt #: 317 total cpu time spent up to now is 737.4 secs Computing kpt #: 318 total cpu time spent up to now is 738.9 secs Computing kpt #: 319 total cpu time spent up to now is 740.4 secs Computing kpt #: 320 total cpu time spent up to now is 742.0 secs Computing kpt #: 321 total cpu time spent up to now is 743.5 secs Computing kpt #: 322 total cpu time spent up to now is 745.0 secs Computing kpt #: 323 total cpu time spent up to now is 746.5 secs Computing kpt #: 324 total cpu time spent up to now is 747.9 secs Computing kpt #: 325 total cpu time spent up to now is 749.4 secs Computing kpt #: 326 total cpu time spent up to now is 750.8 secs Computing kpt #: 327 total cpu time spent up to now is 752.2 secs Computing kpt #: 328 total cpu time spent up to now is 753.6 secs Computing kpt #: 329 total cpu time spent up to now is 755.0 secs Computing kpt #: 330 total cpu time spent up to now is 756.4 secs Computing kpt #: 331 total cpu time spent up to now is 757.8 secs Computing kpt #: 332 total cpu time spent up to now is 759.2 secs Computing kpt #: 333 total cpu time spent up to now is 760.7 secs Computing kpt #: 334 total cpu time spent up to now is 762.1 secs Computing kpt #: 335 total cpu time spent up to now is 763.6 secs Computing kpt #: 336 total cpu time spent up to now is 765.0 secs Computing kpt #: 337 total cpu time spent up to now is 766.5 secs Computing kpt #: 338 total cpu time spent up to now is 767.9 secs Computing kpt #: 339 total cpu time spent up to now is 769.3 secs Computing kpt #: 340 total cpu time spent up to now is 770.8 secs Computing kpt #: 341 total cpu time spent up to now is 772.2 secs Computing kpt #: 342 total cpu time spent up to now is 773.7 secs Computing kpt #: 343 total cpu time spent up to now is 775.1 secs Computing kpt #: 344 total cpu time spent up to now is 776.6 secs Computing kpt #: 345 total cpu time spent up to now is 778.1 secs Computing kpt #: 346 total cpu time spent up to now is 779.5 secs Computing kpt #: 347 total cpu time spent up to now is 781.0 secs Computing kpt #: 348 total cpu time spent up to now is 782.5 secs Computing kpt #: 349 total cpu time spent up to now is 784.0 secs Computing kpt #: 350 total cpu time spent up to now is 785.6 secs Computing kpt #: 351 total cpu time spent up to now is 787.2 secs Computing kpt #: 352 total cpu time spent up to now is 789.0 secs Computing kpt #: 353 total cpu time spent up to now is 790.6 secs Computing kpt #: 354 total cpu time spent up to now is 792.3 secs Computing kpt #: 355 total cpu time spent up to now is 794.0 secs Computing kpt #: 356 total cpu time spent up to now is 795.9 secs Computing kpt #: 357 total cpu time spent up to now is 797.6 secs Computing kpt #: 358 total cpu time spent up to now is 799.5 secs Computing kpt #: 359 total cpu time spent up to now is 801.6 secs Computing kpt #: 360 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 805.6 secs Computing kpt #: 361 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 809.6 secs Computing kpt #: 362 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 813.5 secs Computing kpt #: 363 total cpu time spent up to now is 816.9 secs Computing kpt #: 364 total cpu time spent up to now is 819.3 secs Computing kpt #: 365 total cpu time spent up to now is 821.7 secs Computing kpt #: 366 total cpu time spent up to now is 823.9 secs Computing kpt #: 367 total cpu time spent up to now is 826.2 secs ethr = 2.08E-11, avg # of iterations = 44.8 total cpu time spent up to now is 826.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2125 PWs) bands (ev): 1.9426 1.9426 6.4114 6.4114 8.1225 8.1225 9.5746 9.5746 9.6121 9.6121 10.7410 10.7410 10.8244 10.8244 10.8597 10.8597 10.9632 10.9632 10.9833 10.9833 11.5326 11.5326 11.5533 11.5533 12.7535 12.7535 12.8600 12.8600 12.9918 12.9918 13.4403 13.4403 13.4426 13.4426 13.5029 13.5029 13.5478 13.5478 13.6079 13.6079 14.2606 14.2606 14.2988 14.2988 15.0039 15.0039 17.7347 17.7347 17.7407 17.7407 17.8035 17.8035 17.8537 17.8537 17.9302 17.9302 18.2523 18.2523 k = 0.0104 0.0060-0.0000 ( 2125 PWs) bands (ev): 1.9440 1.9440 6.4118 6.4118 8.1235 8.1235 9.5748 9.5748 9.6123 9.6123 10.7343 10.7343 10.8115 10.8115 10.8782 10.8782 10.9633 10.9633 10.9840 10.9840 11.5318 11.5318 11.5524 11.5524 12.7532 12.7532 12.8597 12.8597 12.9914 12.9914 13.4396 13.4396 13.4426 13.4426 13.5025 13.5025 13.5467 13.5467 13.6091 13.6091 14.2602 14.2602 14.2984 14.2984 15.0033 15.0033 17.6290 17.6290 17.6624 17.6624 17.7868 17.7868 17.9612 17.9612 18.0219 18.0219 18.2519 18.2519 k = 0.0208 0.0120-0.0000 ( 2125 PWs) bands (ev): 1.9484 1.9484 6.4128 6.4128 8.1266 8.1266 9.5756 9.5756 9.6133 9.6133 10.7132 10.7132 10.7990 10.7990 10.9082 10.9082 10.9637 10.9637 10.9867 10.9867 11.5287 11.5287 11.5503 11.5503 12.7526 12.7526 12.8588 12.8588 12.9901 12.9901 13.4374 13.4374 13.4426 13.4426 13.5014 13.5014 13.5434 13.5434 13.6124 13.6124 14.2589 14.2589 14.2970 14.2970 15.0018 15.0018 17.4683 17.4683 17.5322 17.5322 17.7850 17.7850 18.0989 18.0989 18.1721 18.1721 18.2506 18.2506 k = 0.0312 0.0180-0.0000 ( 2137 PWs) bands (ev): 1.9556 1.9556 6.4145 6.4145 8.1318 8.1318 9.5764 9.5764 9.6150 9.6150 10.6807 10.6807 10.7944 10.7944 10.9365 10.9365 10.9641 10.9641 10.9933 10.9933 11.5223 11.5223 11.5479 11.5479 12.7514 12.7514 12.8572 12.8572 12.9880 12.9880 13.4336 13.4336 13.4424 13.4424 13.4995 13.4995 13.5383 13.5383 13.6172 13.6172 14.2568 14.2568 14.2948 14.2948 14.9993 14.9993 17.3011 17.3011 17.3968 17.3968 17.7848 17.7848 18.2348 18.2348 18.2499 18.2499 18.3279 18.3279 k = 0.0417 0.0241-0.0000 ( 2137 PWs) bands (ev): 1.9658 1.9658 6.4170 6.4170 8.1389 8.1389 9.5773 9.5773 9.6180 9.6180 10.6420 10.6420 10.7947 10.7947 10.9557 10.9557 10.9660 10.9660 11.0087 11.0087 11.5119 11.5119 11.5463 11.5463 12.7498 12.7498 12.8552 12.8552 12.9850 12.9850 13.4284 13.4284 13.4423 13.4423 13.4973 13.4973 13.5317 13.5317 13.6233 13.6233 14.2539 14.2539 14.2920 14.2920 14.9959 14.9959 17.1325 17.1325 17.2612 17.2612 17.7848 17.7848 18.2441 18.2441 18.3731 18.3731 18.4804 18.4804 k = 0.0521 0.0301-0.0000 ( 2137 PWs) bands (ev): 1.9788 1.9788 6.4200 6.4200 8.1482 8.1482 9.5775 9.5775 9.6225 9.6225 10.5998 10.5998 10.7977 10.7977 10.9599 10.9599 10.9732 10.9732 11.0340 11.0340 11.4979 11.4979 11.5456 11.5456 12.7478 12.7478 12.8528 12.8528 12.9811 12.9811 13.4218 13.4218 13.4422 13.4422 13.4950 13.4950 13.5239 13.5239 13.6299 13.6299 14.2499 14.2499 14.2885 14.2885 14.9914 14.9914 16.9641 16.9641 17.1264 17.1264 17.7847 17.7847 18.2394 18.2394 18.5046 18.5046 18.6248 18.6248 k = 0.0625 0.0361-0.0000 ( 2131 PWs) bands (ev): 1.9948 1.9948 6.4237 6.4237 8.1594 8.1594 9.5769 9.5769 9.6289 9.6289 10.5552 10.5552 10.8026 10.8026 10.9592 10.9592 10.9805 10.9805 11.0644 11.0644 11.4807 11.4807 11.5454 11.5454 12.7453 12.7453 12.8501 12.8501 12.9764 12.9764 13.4138 13.4138 13.4421 13.4421 13.4926 13.4926 13.5151 13.5151 13.6369 13.6369 14.2449 14.2449 14.2846 14.2846 14.9861 14.9861 16.7966 16.7966 16.9926 16.9926 17.7843 17.7843 18.2333 18.2333 18.6283 18.6283 18.7529 18.7529 k = 0.0729 0.0421-0.0000 ( 2129 PWs) bands (ev): 2.0136 2.0136 6.4279 6.4279 8.1727 8.1727 9.5752 9.5752 9.6371 9.6371 10.5087 10.5087 10.8088 10.8088 10.9573 10.9573 10.9872 10.9872 11.0963 11.0963 11.4609 11.4609 11.5455 11.5455 12.7423 12.7423 12.8470 12.8470 12.9705 12.9705 13.4043 13.4043 13.4417 13.4417 13.4900 13.4900 13.5053 13.5053 13.6439 13.6439 14.2388 14.2388 14.2803 14.2803 14.9799 14.9799 16.6308 16.6308 16.8601 16.8601 17.7834 17.7834 18.2257 18.2257 18.7382 18.7382 18.8442 18.8442 k = 0.0833 0.0481-0.0000 ( 2121 PWs) bands (ev): 2.0353 2.0353 6.4326 6.4326 8.1880 8.1880 9.5721 9.5721 9.6473 9.6473 10.4603 10.4603 10.8162 10.8162 10.9550 10.9550 10.9942 10.9942 11.1285 11.1285 11.4392 11.4392 11.5458 11.5458 12.7386 12.7386 12.8438 12.8438 12.9638 12.9638 13.3934 13.3934 13.4412 13.4412 13.4871 13.4871 13.4951 13.4951 13.6508 13.6508 14.2316 14.2316 14.2758 14.2758 14.9729 14.9729 16.4671 16.4671 16.7291 16.7291 17.7816 17.7816 18.2163 18.2163 18.8273 18.8273 18.8731 18.8731 k = 0.0938 0.0541-0.0000 ( 2113 PWs) bands (ev): 2.0598 2.0598 6.4377 6.4377 8.2053 8.2053 9.5677 9.5677 9.6592 9.6592 10.4104 10.4104 10.8248 10.8248 10.9518 10.9518 11.0017 11.0017 11.1603 11.1603 11.4162 11.4162 11.5462 11.5462 12.7344 12.7344 12.8406 12.8406 12.9559 12.9559 13.3812 13.3812 13.4403 13.4403 13.4813 13.4813 13.4872 13.4872 13.6573 13.6573 14.2230 14.2230 14.2712 14.2712 14.9650 14.9650 16.3059 16.3059 16.5994 16.5994 17.7788 17.7788 18.2049 18.2049 18.8518 18.8518 18.8922 18.8922 k = 0.1042 0.0601-0.0000 ( 2105 PWs) bands (ev): 2.0872 2.0872 6.4432 6.4432 8.2245 8.2245 9.5617 9.5617 9.6728 9.6728 10.3589 10.3589 10.8345 10.8345 10.9481 10.9481 11.0100 11.0100 11.1915 11.1915 11.3923 11.3923 11.5467 11.5467 12.7294 12.7294 12.8373 12.8373 12.9471 12.9471 13.3674 13.3674 13.4389 13.4389 13.4707 13.4707 13.4837 13.4837 13.6634 13.6634 14.2131 14.2131 14.2666 14.2666 14.9564 14.9564 16.1475 16.1475 16.4713 16.4713 17.7746 17.7746 18.1913 18.1913 18.8092 18.8092 18.9317 18.9317 k = 0.1146 0.0662-0.0000 ( 2107 PWs) bands (ev): 2.1174 2.1174 6.4489 6.4489 8.2457 8.2457 9.5539 9.5539 9.6882 9.6882 10.3062 10.3062 10.8452 10.8452 10.9439 10.9439 11.0190 11.0190 11.2215 11.2215 11.3687 11.3687 11.5471 11.5471 12.7235 12.7235 12.8340 12.8340 12.9369 12.9369 13.3519 13.3519 13.4369 13.4369 13.4593 13.4593 13.4808 13.4808 13.6687 13.6687 14.2021 14.2021 14.2620 14.2620 14.9470 14.9470 15.9923 15.9923 16.3448 16.3448 17.7685 17.7685 18.1752 18.1752 18.7558 18.7558 18.9535 18.9535 k = 0.1250 0.0722-0.0000 ( 2105 PWs) bands (ev): 2.1505 2.1505 6.4548 6.4548 8.2688 8.2688 9.5438 9.5438 9.7050 9.7050 10.2525 10.2525 10.8568 10.8568 10.9391 10.9391 11.0288 11.0288 11.2488 11.2488 11.3473 11.3473 11.5478 11.5478 12.7169 12.7169 12.8308 12.8308 12.9256 12.9256 13.3348 13.3348 13.4337 13.4337 13.4484 13.4484 13.4782 13.4782 13.6733 13.6733 14.1899 14.1899 14.2573 14.2573 14.9367 14.9367 15.8405 15.8405 16.2199 16.2199 17.7602 17.7602 18.1565 18.1565 18.6967 18.6967 18.9633 18.9633 k = 0.1354 0.0782-0.0000 ( 2105 PWs) bands (ev): 2.1863 2.1863 6.4607 6.4607 8.2938 8.2938 9.5311 9.5311 9.7234 9.7234 10.1983 10.1983 10.8694 10.8694 10.9337 10.9337 11.0392 11.0392 11.2680 11.2680 11.3340 11.3340 11.5483 11.5483 12.7095 12.7095 12.8279 12.8279 12.9131 12.9131 13.3158 13.3158 13.4282 13.4282 13.4393 13.4393 13.4753 13.4753 13.6770 13.6770 14.1770 14.1770 14.2528 14.2528 14.9258 14.9258 15.6924 15.6924 16.0967 16.0967 17.7489 17.7489 18.1348 18.1348 18.6345 18.6345 18.9656 18.9656 k = 0.1458 0.0842-0.0000 ( 2101 PWs) bands (ev): 2.2249 2.2249 6.4666 6.4666 8.3207 8.3207 9.5150 9.5150 9.7433 9.7433 10.1443 10.1443 10.8828 10.8828 10.9279 10.9279 11.0504 11.0504 11.2677 11.2677 11.3408 11.3408 11.5489 11.5489 12.7013 12.7013 12.8252 12.8252 12.8994 12.8994 13.2951 13.2951 13.4194 13.4194 13.4330 13.4330 13.4724 13.4724 13.6798 13.6798 14.1633 14.1633 14.2483 14.2483 14.9143 14.9143 15.5481 15.5481 15.9751 15.9751 17.7342 17.7342 18.1101 18.1101 18.5712 18.5712 18.9628 18.9628 k = 0.1562 0.0902-0.0000 ( 2097 PWs) bands (ev): 2.2663 2.2663 6.4722 6.4722 8.3494 8.3494 9.4949 9.4949 9.7646 9.7646 10.0914 10.0914 10.8968 10.8968 10.9220 10.9220 11.0623 11.0623 11.2526 11.2526 11.3633 11.3633 11.5493 11.5493 12.6923 12.6923 12.8226 12.8226 12.8847 12.8847 13.2726 13.2726 13.4090 13.4090 13.4278 13.4278 13.4693 13.4693 13.6814 13.6814 14.1489 14.1489 14.2439 14.2439 14.9020 14.9020 15.4080 15.4080 15.8553 15.8553 17.7152 17.7152 18.0822 18.0822 18.5082 18.5082 18.9568 18.9568 k = 0.1667 0.0962-0.0000 ( 2101 PWs) bands (ev): 2.3105 2.3105 6.4775 6.4775 8.3799 8.3799 9.4695 9.4695 9.7873 9.7873 10.0406 10.0406 10.9079 10.9079 10.9191 10.9191 11.0748 11.0748 11.2338 11.2338 11.3904 11.3904 11.5496 11.5496 12.6823 12.6823 12.8198 12.8198 12.8691 12.8691 13.2483 13.2483 13.3982 13.3982 13.4224 13.4224 13.4658 13.4658 13.6819 13.6819 14.1341 14.1341 14.2397 14.2397 14.8892 14.8892 15.2722 15.2722 15.7373 15.7373 17.6910 17.6910 18.0509 18.0509 18.4472 18.4472 18.9485 18.9485 k = 0.1771 0.1022-0.0000 ( 2101 PWs) bands (ev): 2.3573 2.3573 6.4822 6.4822 8.4122 8.4122 9.4377 9.4377 9.8114 9.8114 9.9934 9.9934 10.9042 10.9042 10.9312 10.9312 11.0881 11.0881 11.2153 11.2153 11.4190 11.4190 11.5499 11.5499 12.6717 12.6717 12.8160 12.8160 12.8534 12.8534 13.2225 13.2225 13.3874 13.3874 13.4164 13.4164 13.4623 13.4623 13.6811 13.6811 14.1190 14.1190 14.2356 14.2356 14.8756 14.8756 15.1409 15.1409 15.6211 15.6211 17.6609 17.6609 18.0162 18.0162 18.3895 18.3895 18.9386 18.9386 k = 0.1875 0.1083-0.0000 ( 2103 PWs) bands (ev): 2.4069 2.4069 6.4862 6.4862 8.4463 8.4463 9.3987 9.3987 9.8367 9.8367 9.9511 9.9511 10.8961 10.8961 10.9478 10.9478 11.1021 11.1021 11.1979 11.1979 11.4480 11.4480 11.5499 11.5499 12.6603 12.6603 12.8092 12.8092 12.8396 12.8396 13.1952 13.1952 13.3765 13.3765 13.4097 13.4097 13.4585 13.4585 13.6790 13.6790 14.1037 14.1037 14.2316 14.2316 14.8613 14.8613 15.0144 15.0144 15.5067 15.5067 17.6240 17.6240 17.9781 17.9781 18.3365 18.3365 18.9277 18.9277 k = 0.1979 0.1143-0.0000 ( 2107 PWs) bands (ev): 2.4591 2.4591 6.4892 6.4892 8.4820 8.4820 9.3517 9.3517 9.8627 9.8627 9.9152 9.9152 10.8867 10.8867 10.9657 10.9657 11.1167 11.1167 11.1824 11.1824 11.4771 11.4771 11.5499 11.5499 12.6483 12.6483 12.7961 12.7961 12.8309 12.8309 13.1665 13.1665 13.3654 13.3654 13.4021 13.4021 13.4543 13.4543 13.6754 13.6754 14.0885 14.0885 14.2279 14.2279 14.8456 14.8456 14.8937 14.8937 15.3942 15.3942 17.5802 17.5802 17.9368 17.9368 18.2891 18.2891 18.9159 18.9159 k = 0.2083 0.1203-0.0000 ( 2107 PWs) bands (ev): 2.5139 2.5139 6.4911 6.4911 8.5194 8.5194 9.2966 9.2966 9.8776 9.8776 9.8980 9.8980 10.8766 10.8766 10.9843 10.9843 11.1319 11.1319 11.1689 11.1689 11.5061 11.5061 11.5497 11.5497 12.6356 12.6356 12.7773 12.7773 12.8268 12.8268 13.1368 13.1368 13.3540 13.3540 13.3940 13.3940 13.4499 13.4499 13.6703 13.6703 14.0735 14.0735 14.2243 14.2243 14.7747 14.7747 14.8328 14.8328 15.2837 15.2837 17.5293 17.5293 17.8923 17.8923 18.2477 18.2477 18.9037 18.9037 k = 0.2188 0.1263-0.0000 ( 2107 PWs) bands (ev): 2.5714 2.5714 6.4915 6.4915 8.5583 8.5583 9.2339 9.2339 9.8577 9.8577 9.9233 9.9233 10.8656 10.8656 11.0038 11.0038 11.1471 11.1471 11.1581 11.1581 11.5343 11.5343 11.5500 11.5500 12.6223 12.6223 12.7551 12.7551 12.8247 12.8247 13.1061 13.1061 13.3423 13.3423 13.3853 13.3853 13.4450 13.4450 13.6635 13.6635 14.0587 14.0587 14.2210 14.2210 14.6645 14.6645 14.8160 14.8160 15.1751 15.1751 17.4718 17.4718 17.8448 17.8448 18.2124 18.2124 18.8912 18.8912 k = 0.2292 0.1323-0.0000 ( 2103 PWs) bands (ev): 2.6314 2.6314 6.4903 6.4903 8.5988 8.5988 9.1646 9.1646 9.8400 9.8400 9.9537 9.9537 10.8539 10.8539 11.0239 11.0239 11.1468 11.1468 11.1654 11.1654 11.5469 11.5469 11.5657 11.5657 12.6085 12.6085 12.7308 12.7308 12.8233 12.8233 13.0746 13.0746 13.3299 13.3299 13.3761 13.3761 13.4397 13.4397 13.6550 13.6550 14.0443 14.0443 14.2179 14.2179 14.5596 14.5596 14.7991 14.7991 15.0686 15.0686 17.4086 17.4086 17.7947 17.7947 18.1829 18.1829 18.8785 18.8785 k = 0.2396 0.1383-0.0000 ( 2103 PWs) bands (ev): 2.6939 2.6939 6.4872 6.4872 8.6407 8.6407 9.0898 9.0898 9.8274 9.8274 9.9855 9.9855 10.8411 10.8411 11.0446 11.0446 11.1392 11.1392 11.1821 11.1821 11.5464 11.5464 11.5939 11.5939 12.5942 12.5942 12.7048 12.7048 12.8221 12.8221 13.0424 13.0424 13.3167 13.3167 13.3666 13.3666 13.4340 13.4340 13.6446 13.6446 14.0303 14.0303 14.2150 14.2150 14.4609 14.4609 14.7815 14.7815 14.9642 14.9642 17.3408 17.3408 17.7422 17.7422 18.1584 18.1584 18.8658 18.8658 k = 0.2500 0.1443-0.0000 ( 2111 PWs) bands (ev): 2.7589 2.7589 6.4817 6.4817 8.6840 8.6840 9.0107 9.0107 9.8194 9.8194 10.0185 10.0185 10.8273 10.8273 11.0658 11.0658 11.1328 11.1328 11.1996 11.1996 11.5451 11.5451 11.6224 11.6224 12.5793 12.5793 12.6774 12.6774 12.8205 12.8205 13.0097 13.0097 13.3026 13.3026 13.3569 13.3569 13.4278 13.4278 13.6323 13.6323 14.0167 14.0167 14.2120 14.2120 14.3689 14.3689 14.7633 14.7633 14.8620 14.8620 17.2696 17.2696 17.6879 17.6879 18.1381 18.1381 18.8532 18.8532 k = 0.2604 0.1504-0.0000 ( 2099 PWs) bands (ev): 2.8263 2.8263 6.4736 6.4736 8.7286 8.7286 8.9288 8.9288 9.8158 9.8158 10.0529 10.0529 10.8128 10.8128 11.0874 11.0874 11.1279 11.1279 11.2177 11.2177 11.5434 11.5434 11.6511 11.6511 12.5642 12.5642 12.6488 12.6488 12.8186 12.8186 12.9770 12.9770 13.2875 13.2875 13.3474 13.3474 13.4213 13.4213 13.6180 13.6180 14.0037 14.0037 14.2090 14.2090 14.2847 14.2847 14.7442 14.7442 14.7622 14.7622 17.1962 17.1962 17.6321 17.6321 18.1215 18.1215 18.8408 18.8408 k = 0.2708 0.1564-0.0000 ( 2097 PWs) bands (ev): 2.8961 2.8961 6.4626 6.4626 8.7744 8.7744 8.8451 8.8451 9.8159 9.8159 10.0883 10.0883 10.7972 10.7972 11.1093 11.1093 11.1239 11.1239 11.2361 11.2361 11.5412 11.5412 11.6795 11.6795 12.5485 12.5485 12.6191 12.6191 12.8159 12.8159 12.9439 12.9439 13.2712 13.2712 13.3381 13.3381 13.4142 13.4142 13.6017 13.6017 13.9904 13.9904 14.1976 14.1976 14.2167 14.2167 14.6644 14.6644 14.7248 14.7248 17.1216 17.1216 17.5753 17.5753 18.1076 18.1076 18.8286 18.8286 k = 0.2812 0.1624-0.0000 ( 2095 PWs) bands (ev): 2.9682 2.9682 6.4483 6.4483 8.7600 8.7600 8.8220 8.8220 9.8196 9.8196 10.1247 10.1247 10.7806 10.7806 11.1205 11.1205 11.1313 11.1313 11.2549 11.2549 11.5387 11.5387 11.7077 11.7077 12.5323 12.5323 12.5886 12.5886 12.8118 12.8118 12.9112 12.9112 13.2536 13.2536 13.3293 13.3293 13.4070 13.4070 13.5832 13.5832 13.9765 13.9765 14.1366 14.1366 14.2072 14.2072 14.5694 14.5694 14.7042 14.7042 17.0467 17.0467 17.5181 17.5181 18.0961 18.0961 18.8168 18.8168 k = 0.2917 0.1684-0.0000 ( 2093 PWs) bands (ev): 3.0426 3.0426 6.4302 6.4302 8.6758 8.6758 8.8700 8.8700 9.8266 9.8266 10.1621 10.1621 10.7629 10.7629 11.1172 11.1172 11.1532 11.1532 11.2741 11.2741 11.5359 11.5359 11.7357 11.7357 12.5156 12.5156 12.5575 12.5575 12.8061 12.8061 12.8792 12.8792 13.2346 13.2346 13.3214 13.3214 13.3993 13.3993 13.5629 13.5629 13.9608 13.9608 14.0789 14.0789 14.2043 14.2043 14.4772 14.4772 14.6830 14.6830 16.9722 16.9722 17.4608 17.4608 18.0865 18.0865 18.8052 18.8052 k = 0.3021 0.1744-0.0000 ( 2093 PWs) bands (ev): 3.1191 3.1191 6.4081 6.4081 8.5925 8.5925 8.9191 8.9191 9.8369 9.8369 10.2004 10.2004 10.7441 10.7441 11.1138 11.1138 11.1747 11.1747 11.2936 11.2936 11.5327 11.5327 11.7633 11.7633 12.4981 12.4981 12.5266 12.5266 12.7980 12.7980 12.8485 12.8485 13.2141 13.2141 13.3147 13.3147 13.3913 13.3913 13.5408 13.5408 13.9404 13.9404 14.0334 14.0334 14.2009 14.2009 14.3887 14.3887 14.6611 14.6611 16.8989 16.8989 17.4039 17.4039 18.0783 18.0783 18.7941 18.7941 k = 0.3125 0.1804-0.0000 ( 2097 PWs) bands (ev): 3.1977 3.1977 6.3815 6.3815 8.5111 8.5111 8.9690 8.9690 9.8501 9.8501 10.2397 10.2397 10.7242 10.7242 11.1097 11.1097 11.1955 11.1955 11.3132 11.3132 11.5294 11.5294 11.7906 11.7906 12.4788 12.4788 12.4972 12.4972 12.7857 12.7857 12.8208 12.8208 13.1920 13.1920 13.3095 13.3095 13.3832 13.3832 13.5174 13.5174 13.9134 13.9134 14.0019 14.0019 14.1946 14.1946 14.3060 14.3060 14.6385 14.6385 16.8273 16.8273 17.3479 17.3479 18.0714 18.0714 18.7835 18.7835 k = 0.3229 0.1864-0.0000 ( 2091 PWs) bands (ev): 3.2783 3.2783 6.3501 6.3501 8.4324 8.4324 9.0197 9.0197 9.8665 9.8665 10.2799 10.2799 10.7031 10.7031 11.1044 11.1044 11.2153 11.2153 11.3331 11.3331 11.5262 11.5262 11.8175 11.8175 12.4549 12.4549 12.4727 12.4727 12.7669 12.7669 12.7990 12.7990 13.1685 13.1685 13.3064 13.3064 13.3750 13.3750 13.4931 13.4931 13.8821 13.8821 13.9817 13.9817 14.1728 14.1728 14.2421 14.2421 14.6155 14.6155 16.7578 16.7578 17.2932 17.2932 18.0656 18.0656 18.7733 18.7733 k = 0.3333 0.1925-0.0000 ( 2093 PWs) bands (ev): 3.3608 3.3608 6.3137 6.3137 8.3571 8.3571 9.0710 9.0710 9.8858 9.8858 10.3207 10.3207 10.6808 10.6808 11.0972 11.0972 11.2334 11.2334 11.3530 11.3530 11.5231 11.5231 11.8439 11.8439 12.4269 12.4269 12.4529 12.4529 12.7422 12.7422 12.7824 12.7824 13.1436 13.1436 13.3054 13.3054 13.3669 13.3669 13.4682 13.4682 13.8506 13.8506 13.9676 13.9676 14.1136 14.1136 14.2188 14.2188 14.5918 14.5918 16.6909 16.6909 17.2401 17.2401 18.0605 18.0605 18.7636 18.7636 k = 0.3438 0.1985-0.0000 ( 2085 PWs) bands (ev): 3.4450 3.4450 6.2719 6.2719 8.2859 8.2859 9.1228 9.1228 9.9081 9.9081 10.3625 10.3625 10.6575 10.6575 11.0879 11.0879 11.2494 11.2494 11.3729 11.3729 11.5208 11.5208 11.8698 11.8698 12.3986 12.3986 12.4348 12.4348 12.7157 12.7157 12.7672 12.7672 13.1178 13.1178 13.3066 13.3066 13.3590 13.3590 13.4434 13.4434 13.8213 13.8213 13.9563 13.9563 14.0412 14.0412 14.2129 14.2129 14.5678 14.5678 16.6270 16.6270 17.1891 17.1891 18.0562 18.0562 18.7545 18.7545 k = 0.3542 0.2045-0.0000 ( 2087 PWs) bands (ev): 3.5309 3.5309 6.2247 6.2247 8.2192 8.2192 9.1749 9.1749 9.9332 9.9332 10.4047 10.4047 10.6330 10.6330 11.0758 11.0758 11.2623 11.2623 11.3926 11.3926 11.5196 11.5196 11.8949 11.8949 12.3715 12.3715 12.4172 12.4172 12.6894 12.6894 12.7517 12.7517 13.0915 13.0915 13.3095 13.3095 13.3515 13.3515 13.4189 13.4189 13.7945 13.7945 13.9424 13.9424 13.9728 13.9728 14.2106 14.2106 14.5435 14.5435 16.5663 16.5663 17.1404 17.1404 18.0525 18.0525 18.7459 18.7459 k = 0.3646 0.2105-0.0000 ( 2083 PWs) bands (ev): 3.6182 3.6182 6.1721 6.1721 8.1574 8.1574 9.2271 9.2271 9.9611 9.9611 10.4473 10.4473 10.6074 10.6074 11.0604 11.0604 11.2714 11.2714 11.4121 11.4121 11.5201 11.5201 11.9193 11.9193 12.3465 12.3465 12.4000 12.4000 12.6645 12.6645 12.7356 12.7356 13.0652 13.0652 13.3130 13.3130 13.3450 13.3450 13.3956 13.3956 13.7698 13.7698 13.8926 13.8926 13.9444 13.9444 14.2095 14.2095 14.5191 14.5191 16.5091 16.5091 17.0943 17.0943 18.0493 18.0493 18.7378 18.7378 k = 0.3750 0.2165-0.0000 ( 2084 PWs) bands (ev): 3.7069 3.7069 6.1142 6.1142 8.1007 8.1007 9.2791 9.2791 9.9917 9.9917 10.4904 10.4904 10.5808 10.5808 11.0414 11.0414 11.2759 11.2759 11.4313 11.4313 11.5228 11.5228 11.9428 11.9428 12.3241 12.3241 12.3830 12.3830 12.6414 12.6414 12.7189 12.7189 13.0395 13.0395 13.3147 13.3147 13.3399 13.3399 13.3753 13.3753 13.7452 13.7452 13.8301 13.8301 13.9347 13.9347 14.2090 14.2090 14.4949 14.4949 16.4556 16.4556 17.0511 17.0511 18.0466 18.0466 18.7303 18.7303 k = 0.3854 0.2225-0.0000 ( 2072 PWs) bands (ev): 3.7965 3.7965 6.0514 6.0514 8.0495 8.0495 9.3309 9.3309 10.0249 10.0249 10.5325 10.5325 10.5548 10.5548 11.0187 11.0187 11.2753 11.2753 11.4501 11.4501 11.5280 11.5280 11.9655 11.9655 12.3046 12.3046 12.3666 12.3666 12.6202 12.6202 12.7020 12.7020 13.0149 13.0149 13.3108 13.3108 13.3330 13.3330 13.3649 13.3649 13.7151 13.7151 13.7782 13.7782 13.9264 13.9264 14.2090 14.2090 14.4712 14.4712 16.4060 16.4060 17.0109 17.0109 18.0442 18.0442 18.7234 18.7234 k = 0.3958 0.2285-0.0000 ( 2076 PWs) bands (ev): 3.8868 3.8868 5.9840 5.9840 8.0035 8.0035 9.3820 9.3820 10.0605 10.0605 10.5234 10.5234 10.5792 10.5792 10.9920 10.9920 11.2694 11.2694 11.4680 11.4680 11.5352 11.5352 11.9870 11.9870 12.2880 12.2880 12.3504 12.3504 12.6012 12.6012 12.6849 12.6849 12.9919 12.9919 13.2990 13.2990 13.3219 13.3219 13.3684 13.3684 13.6721 13.6721 13.7451 13.7451 13.9183 13.9183 14.2090 14.2090 14.4480 14.4480 16.3603 16.3603 16.9739 16.9739 18.0421 18.0421 18.7171 18.7171 k = 0.4062 0.2345-0.0000 ( 2076 PWs) bands (ev): 3.9775 3.9775 5.9126 5.9126 7.9628 7.9628 9.4321 9.4321 10.0984 10.0984 10.4946 10.4946 10.6228 10.6228 10.9614 10.9614 11.2585 11.2585 11.4852 11.4852 11.5444 11.5444 12.0074 12.0074 12.2744 12.2744 12.3350 12.3350 12.5845 12.5845 12.6683 12.6683 12.9709 12.9709 13.2803 13.2803 13.3132 13.3132 13.3784 13.3784 13.6219 13.6219 13.7256 13.7256 13.9099 13.9099 14.2091 14.2091 14.4259 14.4259 16.3188 16.3188 16.9401 16.9401 18.0404 18.0404 18.7113 18.7113 k = 0.4167 0.2406-0.0000 ( 2086 PWs) bands (ev): 4.0680 4.0680 5.8382 5.8382 7.9272 7.9272 9.4808 9.4808 10.1385 10.1385 10.4649 10.4649 10.6666 10.6666 10.9270 10.9270 11.2429 11.2429 11.5014 11.5014 11.5547 11.5547 12.0267 12.0267 12.2632 12.2632 12.3202 12.3202 12.5701 12.5701 12.6524 12.6524 12.9522 12.9522 13.2588 13.2588 13.3064 13.3064 13.3904 13.3904 13.5729 13.5729 13.7120 13.7120 13.9013 13.9013 14.2092 14.2092 14.4050 14.4050 16.2814 16.2814 16.9096 16.9096 18.0389 18.0389 18.7061 18.7061 k = 0.4271 0.2466-0.0000 ( 2086 PWs) bands (ev): 4.1576 4.1576 5.7617 5.7617 7.8965 7.8965 9.5276 9.5276 10.1804 10.1804 10.4354 10.4354 10.7105 10.7105 10.8895 10.8895 11.2231 11.2231 11.5164 11.5164 11.5655 11.5655 12.0448 12.0448 12.2543 12.2543 12.3065 12.3065 12.5582 12.5582 12.6376 12.6376 12.9362 12.9362 13.2370 13.2370 13.3006 13.3006 13.4021 13.4021 13.5290 13.5290 13.7016 13.7016 13.8925 13.8925 14.2094 14.2094 14.3859 14.3859 16.2483 16.2483 16.8828 16.8828 18.0376 18.0376 18.7016 18.7016 k = 0.4375 0.2526-0.0000 ( 2086 PWs) bands (ev): 4.2454 4.2454 5.6843 5.6843 7.8706 7.8706 9.5719 9.5719 10.2238 10.2238 10.4063 10.4063 10.7543 10.7543 10.8491 10.8491 11.1998 11.1998 11.5300 11.5300 11.5762 11.5762 12.0616 12.0616 12.2471 12.2471 12.2939 12.2939 12.5485 12.5485 12.6241 12.6241 12.9228 12.9228 13.2160 13.2160 13.2955 13.2955 13.4100 13.4100 13.4937 13.4937 13.6934 13.6934 13.8835 13.8835 14.2096 14.2096 14.3687 14.3687 16.2196 16.2196 16.8594 16.8594 18.0365 18.0365 18.6977 18.6977 k = 0.4479 0.2586-0.0000 ( 2082 PWs) bands (ev): 4.3300 4.3300 5.6080 5.6080 7.8491 7.8491 9.6127 9.6127 10.2683 10.2683 10.3785 10.3785 10.7975 10.7975 10.8068 10.8068 11.1733 11.1733 11.5419 11.5419 11.5863 11.5863 12.0770 12.0770 12.2412 12.2412 12.2826 12.2826 12.5409 12.5409 12.6124 12.6124 12.9122 12.9122 13.1965 13.1965 13.2910 13.2910 13.4070 13.4070 13.4743 13.4743 13.6872 13.6872 13.8745 13.8745 14.2098 14.2098 14.3536 14.3536 16.1953 16.1953 16.8396 16.8396 18.0357 18.0357 18.6943 18.6943 k = 0.4583 0.2646-0.0000 ( 2086 PWs) bands (ev): 4.4093 4.4093 5.5350 5.5350 7.8319 7.8319 9.6492 9.6492 10.3130 10.3130 10.3530 10.3530 10.7630 10.7630 10.8404 10.8404 11.1439 11.1439 11.5520 11.5520 11.5949 11.5949 12.0907 12.0907 12.2363 12.2363 12.2729 12.2729 12.5352 12.5352 12.6023 12.6023 12.9041 12.9041 13.1792 13.1792 13.2870 13.2870 13.3911 13.3911 13.4727 13.4727 13.6823 13.6823 13.8660 13.8660 14.2099 14.2099 14.3411 14.3411 16.1753 16.1753 16.8234 16.8234 18.0350 18.0350 18.6916 18.6916 k = 0.4688 0.2706-0.0000 ( 2086 PWs) bands (ev): 4.4801 4.4801 5.4687 5.4687 7.8187 7.8187 9.6799 9.6799 10.3302 10.3302 10.3575 10.3575 10.7197 10.7197 10.8825 10.8825 11.1122 11.1122 11.5601 11.5601 11.6020 11.6020 12.1024 12.1024 12.2322 12.2322 12.2649 12.2649 12.5312 12.5312 12.5943 12.5943 12.8984 12.8984 13.1648 13.1648 13.2836 13.2836 13.3724 13.3724 13.4785 13.4785 13.6787 13.6787 13.8585 13.8585 14.2100 14.2100 14.3311 14.3311 16.1598 16.1598 16.8107 16.8107 18.0344 18.0344 18.6894 18.6894 k = 0.4792 0.2766-0.0000 ( 2078 PWs) bands (ev): 4.5380 4.5380 5.4139 5.4139 7.8094 7.8094 9.7035 9.7035 10.3131 10.3131 10.3980 10.3980 10.6794 10.6794 10.9237 10.9237 11.0783 11.0783 11.5661 11.5661 11.6074 11.6074 12.1116 12.1116 12.2289 12.2289 12.2591 12.2591 12.5287 12.5287 12.5885 12.5885 12.8947 12.8947 13.1540 13.1540 13.2811 13.2811 13.3574 13.3574 13.4852 13.4852 13.6764 13.6764 13.8525 13.8525 14.2102 14.2102 14.3240 14.3240 16.1487 16.1487 16.8017 16.8017 18.0341 18.0341 18.6879 18.6879 k = 0.4896 0.2827-0.0000 ( 2076 PWs) bands (ev): 4.5768 4.5768 5.3769 5.3769 7.8039 7.8039 9.7184 9.7184 10.3019 10.3019 10.4302 10.4302 10.6473 10.6473 10.9634 10.9634 11.0430 11.0430 11.5698 11.5698 11.6104 11.6104 12.1176 12.1176 12.2267 12.2267 12.2555 12.2555 12.5273 12.5273 12.5849 12.5849 12.8927 12.8927 13.1472 13.1472 13.2793 13.2793 13.3482 13.3482 13.4897 13.4897 13.6751 13.6751 13.8487 13.8487 14.2103 14.2103 14.3197 14.3197 16.1420 16.1420 16.7963 16.7963 18.0339 18.0339 18.6870 18.6870 k = 0.5000 0.2887-0.0000 ( 2066 PWs) bands (ev): 4.5906 4.5906 5.3637 5.3637 7.8020 7.8020 9.7237 9.7237 10.2980 10.2980 10.4435 10.4435 10.6341 10.6341 10.9935 10.9935 11.0144 11.0144 11.5710 11.5710 11.6117 11.6117 12.1199 12.1199 12.2260 12.2260 12.2545 12.2545 12.5268 12.5268 12.5838 12.5838 12.8920 12.8920 13.1449 13.1449 13.2787 13.2787 13.3451 13.3451 13.4915 13.4915 13.6747 13.6747 13.8473 13.8473 14.2103 14.2103 14.3183 14.3183 16.1398 16.1398 16.7945 16.7945 18.0339 18.0339 18.6867 18.6867 k = 0.5000 0.2887-0.0000 ( 2066 PWs) bands (ev): 4.5906 4.5906 5.3637 5.3637 7.8020 7.8020 9.7237 9.7237 10.2980 10.2980 10.4435 10.4435 10.6341 10.6341 10.9935 10.9935 11.0144 11.0144 11.5710 11.5710 11.6117 11.6117 12.1199 12.1199 12.2260 12.2260 12.2545 12.2545 12.5268 12.5268 12.5838 12.5838 12.8920 12.8920 13.1449 13.1449 13.2787 13.2787 13.3451 13.3451 13.4915 13.4915 13.6747 13.6747 13.8473 13.8473 14.2103 14.2103 14.3183 14.3183 16.1398 16.1398 16.7945 16.7945 18.0339 18.0339 18.6867 18.6867 k = 0.4940 0.2990-0.0000 ( 2072 PWs) bands (ev): 4.5917 4.5917 5.3644 5.3644 7.8024 7.8024 9.7248 9.7248 10.2981 10.2981 10.4335 10.4335 10.6265 10.6265 10.9997 10.9997 11.0222 11.0222 11.5689 11.5689 11.6125 11.6125 12.1201 12.1201 12.2264 12.2264 12.2549 12.2549 12.5256 12.5256 12.5843 12.5843 12.8919 12.8919 13.1441 13.1441 13.2783 13.2783 13.3451 13.3451 13.4916 13.4916 13.6739 13.6739 13.8446 13.8446 14.2142 14.2142 14.3182 14.3182 16.1403 16.1403 16.7922 16.7922 18.0413 18.0413 18.6745 18.6745 k = 0.4881 0.3093-0.0000 ( 2074 PWs) bands (ev): 4.5948 4.5948 5.3666 5.3666 7.8034 7.8034 9.7281 9.7281 10.2986 10.2986 10.4052 10.4052 10.6050 10.6050 11.0175 11.0175 11.0435 11.0435 11.5629 11.5629 11.6156 11.6156 12.1207 12.1207 12.2275 12.2275 12.2568 12.2568 12.5221 12.5221 12.5857 12.5857 12.8917 12.8917 13.1420 13.1420 13.2773 13.2773 13.3449 13.3449 13.4920 13.4920 13.6716 13.6716 13.8369 13.8369 14.2259 14.2259 14.3183 14.3183 16.1417 16.1417 16.7854 16.7854 18.0636 18.0636 18.6388 18.6388 k = 0.4821 0.3196-0.0000 ( 2078 PWs) bands (ev): 4.6001 4.6001 5.3702 5.3702 7.8051 7.8051 9.7336 9.7336 10.2992 10.2992 10.3618 10.3618 10.5734 10.5734 11.0442 11.0442 11.0742 11.0742 11.5529 11.5529 11.6204 11.6204 12.1217 12.1217 12.2295 12.2295 12.2599 12.2599 12.5163 12.5163 12.5879 12.5879 12.8912 12.8912 13.1384 13.1384 13.2757 13.2757 13.3450 13.3450 13.4927 13.4927 13.6677 13.6677 13.8250 13.8250 14.2442 14.2442 14.3184 14.3184 16.1440 16.1440 16.7740 16.7740 18.1007 18.1007 18.5822 18.5822 k = 0.4762 0.3299-0.0000 ( 2082 PWs) bands (ev): 4.6074 4.6074 5.3751 5.3751 7.8074 7.8074 9.7414 9.7414 10.2974 10.2974 10.3099 10.3099 10.5351 10.5351 11.0768 11.0768 11.1104 11.1104 11.5391 11.5391 11.6271 11.6271 12.1233 12.1233 12.2322 12.2322 12.2641 12.2641 12.5085 12.5085 12.5908 12.5908 12.8904 12.8904 13.1336 13.1336 13.2730 13.2730 13.3450 13.3450 13.4938 13.4938 13.6622 13.6622 13.8104 13.8104 14.2677 14.2677 14.3188 14.3188 16.1472 16.1472 16.7582 16.7582 18.1523 18.1523 18.5080 18.5080 k = 0.4702 0.3402-0.0000 ( 2082 PWs) bands (ev): 4.6169 4.6169 5.3814 5.3814 7.8101 7.8101 9.7513 9.7513 10.2426 10.2426 10.3029 10.3029 10.4925 10.4925 11.1126 11.1126 11.1495 11.1495 11.5220 11.5220 11.6358 11.6358 12.1252 12.1252 12.2359 12.2359 12.2696 12.2696 12.4991 12.4991 12.5942 12.5942 12.8895 12.8895 13.1277 13.1277 13.2695 13.2695 13.3449 13.3449 13.4951 13.4951 13.6553 13.6553 13.7940 13.7940 14.2941 14.2941 14.3211 14.3211 16.1512 16.1512 16.7378 16.7378 18.2178 18.2178 18.4199 18.4199 k = 0.4643 0.3505-0.0000 ( 2078 PWs) bands (ev): 4.6284 4.6284 5.3890 5.3890 7.8130 7.8130 9.7635 9.7635 10.1738 10.1738 10.3044 10.3044 10.4472 10.4472 11.1498 11.1498 11.1898 11.1898 11.5013 11.5013 11.6466 11.6466 12.1275 12.1275 12.2404 12.2404 12.2762 12.2762 12.4885 12.4885 12.5980 12.5980 12.8885 12.8885 13.1210 13.1210 13.2650 13.2650 13.3447 13.3447 13.4970 13.4970 13.6470 13.6470 13.7769 13.7769 14.3108 14.3108 14.3364 14.3364 16.1561 16.1561 16.7129 16.7129 18.2957 18.2957 18.3228 18.3228 k = 0.4583 0.3608-0.0000 ( 2082 PWs) bands (ev): 4.6420 4.6420 5.3977 5.3977 7.8160 7.8160 9.7779 9.7779 10.1007 10.1007 10.3062 10.3062 10.4005 10.4005 11.1869 11.1869 11.2301 11.2301 11.4774 11.4774 11.6592 11.6592 12.1300 12.1300 12.2457 12.2457 12.2838 12.2838 12.4767 12.4767 12.6021 12.6021 12.8870 12.8870 13.1134 13.1134 13.2589 13.2589 13.3441 13.3441 13.4991 13.4991 13.6372 13.6372 13.7597 13.7597 14.3134 14.3134 14.3685 14.3685 16.1618 16.1618 16.6836 16.6836 18.2149 18.2149 18.3898 18.3898 k = 0.4524 0.3712-0.0000 ( 2086 PWs) bands (ev): 4.6576 4.6576 5.4074 5.4074 7.8186 7.8186 9.7943 9.7943 10.0250 10.0250 10.3076 10.3076 10.3536 10.3536 11.2231 11.2231 11.2698 11.2698 11.4506 11.4506 11.6737 11.6737 12.1326 12.1326 12.2518 12.2518 12.2923 12.2923 12.4644 12.4644 12.6063 12.6063 12.8854 12.8854 13.1053 13.1053 13.2516 13.2516 13.3431 13.3431 13.5016 13.5016 13.6260 13.6260 13.7429 13.7429 14.3138 14.3138 14.4054 14.4054 16.1681 16.1681 16.6498 16.6498 18.1041 18.1041 18.4944 18.4944 k = 0.4464 0.3815-0.0000 ( 2090 PWs) bands (ev): 4.6753 4.6753 5.4181 5.4181 7.8207 7.8207 9.8129 9.8129 9.9481 9.9481 10.2964 10.2964 10.3192 10.3192 11.2574 11.2574 11.3085 11.3085 11.4214 11.4214 11.6901 11.6901 12.1353 12.1353 12.2586 12.2586 12.3019 12.3019 12.4519 12.4519 12.6104 12.6104 12.8836 12.8836 13.0968 13.0968 13.2428 13.2428 13.3416 13.3416 13.5042 13.5042 13.6134 13.6134 13.7269 13.7269 14.3136 14.3136 14.4448 14.4448 16.1753 16.1753 16.6119 16.6119 17.9901 17.9901 18.6109 18.6109 k = 0.4405 0.3918-0.0000 ( 2090 PWs) bands (ev): 4.6949 4.6949 5.4296 5.4296 7.8219 7.8219 9.8334 9.8334 9.8713 9.8713 10.2520 10.2520 10.3181 10.3181 11.2886 11.2886 11.3456 11.3456 11.3913 11.3913 11.7082 11.7082 12.1378 12.1378 12.2663 12.2663 12.3122 12.3122 12.4401 12.4401 12.6144 12.6144 12.8816 12.8816 13.0879 13.0879 13.2328 13.2328 13.3393 13.3393 13.5070 13.5070 13.6000 13.6000 13.7121 13.7121 14.3133 14.3133 14.4861 14.4861 16.1831 16.1831 16.5699 16.5699 17.8749 17.8749 18.7386 18.7386 k = 0.4345 0.4021-0.0000 ( 2090 PWs) bands (ev): 4.7166 4.7166 5.4416 5.4416 7.8218 7.8218 9.7952 9.7952 9.8565 9.8565 10.2036 10.2036 10.3212 10.3212 11.3109 11.3109 11.3635 11.3635 11.3833 11.3833 11.7278 11.7278 12.1400 12.1400 12.2746 12.2746 12.3229 12.3229 12.4299 12.4299 12.6181 12.6181 12.8792 12.8792 13.0788 13.0788 13.2216 13.2216 13.3362 13.3362 13.5097 13.5097 13.5857 13.5857 13.6985 13.6985 14.3129 14.3129 14.5291 14.5291 16.1917 16.1917 16.5238 16.5238 17.7596 17.7596 18.8768 18.8768 k = 0.4286 0.4124-0.0000 ( 2086 PWs) bands (ev): 4.7402 4.7402 5.4540 5.4540 7.8198 7.8198 9.7219 9.7219 9.8812 9.8812 10.1551 10.1551 10.3252 10.3252 11.3004 11.3004 11.3669 11.3669 11.4165 11.4165 11.7485 11.7485 12.1418 12.1418 12.2830 12.2830 12.3339 12.3339 12.4223 12.4223 12.6215 12.6215 12.8766 12.8766 13.0696 13.0696 13.2093 13.2093 13.3320 13.3320 13.5117 13.5117 13.5711 13.5711 13.6865 13.6865 14.3124 14.3124 14.5737 14.5737 16.2009 16.2009 16.4741 16.4741 17.6454 17.6454 19.0248 19.0248 k = 0.4226 0.4227-0.0000 ( 2092 PWs) bands (ev): 4.7657 4.7657 5.4665 5.4665 7.8155 7.8155 9.6521 9.6521 9.9077 9.9077 10.1067 10.1067 10.3297 10.3297 11.2662 11.2662 11.3890 11.3890 11.4488 11.4488 11.7698 11.7698 12.1425 12.1425 12.2910 12.2910 12.3447 12.3447 12.4188 12.4188 12.6244 12.6244 12.8735 12.8735 13.0603 13.0603 13.1960 13.1960 13.3267 13.3267 13.5119 13.5119 13.5572 13.5572 13.6756 13.6756 14.3119 14.3119 14.6194 14.6194 16.2109 16.2109 16.4209 16.4209 17.5332 17.5332 19.1818 19.1818 k = 0.4167 0.4330-0.0000 ( 2088 PWs) bands (ev): 4.7932 4.7932 5.4788 5.4788 7.8085 7.8085 9.5870 9.5870 9.9361 9.9361 10.0588 10.0588 10.3347 10.3347 11.2261 11.2261 11.4130 11.4130 11.4795 11.4795 11.7916 11.7916 12.1421 12.1421 12.2977 12.2977 12.3551 12.3551 12.4213 12.4213 12.6270 12.6270 12.8703 12.8703 13.0510 13.0510 13.1820 13.1820 13.3203 13.3203 13.5081 13.5081 13.5466 13.5466 13.6664 13.6664 14.3114 14.3114 14.6665 14.6665 16.2215 16.2215 16.3645 16.3645 17.4239 17.4239 19.3474 19.3474 k = 0.4107 0.4433-0.0000 ( 2094 PWs) bands (ev): 4.8225 4.8225 5.4905 5.4905 7.7982 7.7982 9.5276 9.5276 9.9653 9.9653 10.0123 10.0123 10.3401 10.3401 11.1832 11.1832 11.4358 11.4358 11.5085 11.5085 11.8130 11.8130 12.1403 12.1403 12.3022 12.3022 12.3652 12.3652 12.4301 12.4301 12.6290 12.6290 12.8667 12.8667 13.0416 13.0416 13.1672 13.1672 13.3125 13.3125 13.4977 13.4977 13.5416 13.5416 13.6585 13.6585 14.3109 14.3109 14.7146 14.7146 16.2326 16.2326 16.3054 16.3054 17.3181 17.3181 19.5207 19.5207 k = 0.4048 0.4536-0.0000 ( 2094 PWs) bands (ev): 4.8536 4.8536 5.5013 5.5013 7.7846 7.7846 9.4750 9.4750 9.9605 9.9605 10.0022 10.0022 10.3459 10.3459 11.1383 11.1383 11.4571 11.4571 11.5359 11.5359 11.8338 11.8338 12.1368 12.1368 12.3046 12.3046 12.3762 12.3762 12.4449 12.4449 12.6305 12.6305 12.8629 12.8629 13.0322 13.0322 13.1522 13.1522 13.3037 13.3037 13.4823 13.4823 13.5408 13.5408 13.6521 13.6521 14.3104 14.3104 14.7639 14.7639 16.2384 16.2384 16.2499 16.2499 17.2164 17.2164 19.6079 19.6079 k = 0.3988 0.4639-0.0000 ( 2082 PWs) bands (ev): 4.8865 4.8865 5.5107 5.5107 7.7674 7.7674 9.4301 9.4301 9.9155 9.9155 10.0348 10.0348 10.3523 10.3523 11.0917 11.0917 11.4768 11.4768 11.5621 11.5621 11.8535 11.8535 12.1315 12.1315 12.3059 12.3059 12.3884 12.3884 12.4646 12.4646 12.6318 12.6318 12.8588 12.8588 13.0227 13.0227 13.1371 13.1371 13.2939 13.2939 13.4643 13.4643 13.5418 13.5418 13.6471 13.6471 14.3100 14.3100 14.8144 14.8144 16.1788 16.1788 16.2585 16.2585 17.1194 17.1194 19.5620 19.5620 k = 0.3929 0.4743-0.0000 ( 2090 PWs) bands (ev): 4.9211 4.9211 5.5181 5.5181 7.7467 7.7467 9.3933 9.3933 9.8697 9.8697 10.0702 10.0702 10.3590 10.3590 11.0434 11.0434 11.4946 11.4946 11.5868 11.5868 11.8716 11.8716 12.1243 12.1243 12.3069 12.3069 12.4011 12.4011 12.4881 12.4881 12.6324 12.6324 12.8543 12.8543 13.0128 13.0128 13.1220 13.1220 13.2831 13.2831 13.4452 13.4452 13.5433 13.5433 13.6434 13.6434 14.3095 14.3095 14.8657 14.8657 16.1131 16.1131 16.2718 16.2718 17.0274 17.0274 19.5209 19.5209 k = 0.3869 0.4846-0.0000 ( 2098 PWs) bands (ev): 4.9573 4.9573 5.5230 5.5230 7.7229 7.7229 9.3653 9.3653 9.8245 9.8245 10.1073 10.1073 10.3662 10.3662 10.9938 10.9938 11.5106 11.5106 11.6102 11.6102 11.8882 11.8882 12.1154 12.1154 12.3081 12.3081 12.4140 12.4140 12.5147 12.5147 12.6328 12.6328 12.8494 12.8494 13.0022 13.0022 13.1072 13.1072 13.2716 13.2716 13.4255 13.4255 13.5447 13.5447 13.6409 13.6409 14.3090 14.3090 14.9180 14.9180 16.0460 16.0460 16.2860 16.2860 16.9411 16.9411 19.4848 19.4848 k = 0.3810 0.4949-0.0000 ( 2098 PWs) bands (ev): 4.9953 4.9953 5.5248 5.5248 7.6969 7.6969 9.3461 9.3461 9.7801 9.7801 10.1461 10.1461 10.3738 10.3738 10.9430 10.9430 11.5249 11.5249 11.6323 11.6323 11.9032 11.9032 12.1054 12.1054 12.3100 12.3100 12.4267 12.4267 12.5441 12.5441 12.6329 12.6329 12.8442 12.8442 12.9910 12.9910 13.0930 13.0930 13.2600 13.2600 13.4059 13.4059 13.5459 13.5459 13.6393 13.6393 14.3086 14.3086 14.9713 14.9713 15.9779 15.9779 16.3010 16.3010 16.8607 16.8607 19.4533 19.4533 k = 0.3750 0.5052-0.0000 ( 2098 PWs) bands (ev): 5.0347 5.0347 5.5228 5.5228 7.6694 7.6694 9.3355 9.3355 9.7364 9.7364 10.1862 10.1862 10.3818 10.3818 10.8911 10.8911 11.5374 11.5374 11.6530 11.6530 11.9166 11.9166 12.0945 12.0945 12.3126 12.3126 12.4386 12.4386 12.5756 12.5756 12.6330 12.6330 12.8387 12.8387 12.9785 12.9785 13.0796 13.0796 13.2488 13.2488 13.3865 13.3865 13.5469 13.5469 13.6386 13.6386 14.3082 14.3082 15.0256 15.0256 15.9093 15.9093 16.3167 16.3167 16.7866 16.7866 19.4263 19.4263 k = 0.3690 0.5155-0.0000 ( 2088 PWs) bands (ev): 5.0757 5.0757 5.5162 5.5162 7.6418 7.6418 9.3331 9.3331 9.6936 9.6936 10.2276 10.2276 10.3904 10.3904 10.8382 10.8382 11.5483 11.5483 11.6719 11.6719 11.9290 11.9290 12.0830 12.0830 12.3157 12.3157 12.4495 12.4495 12.6087 12.6087 12.6332 12.6332 12.8331 12.8331 12.9646 12.9646 13.0673 13.0673 13.2387 13.2387 13.3677 13.3677 13.5478 13.5478 13.6385 13.6385 14.3080 14.3080 15.0808 15.0808 15.8405 15.8405 16.3332 16.3332 16.7191 16.7191 19.4036 19.4036 k = 0.3631 0.5258-0.0000 ( 2082 PWs) bands (ev): 5.1181 5.1181 5.5044 5.5044 7.6152 7.6152 9.3385 9.3385 9.6518 9.6518 10.2699 10.2699 10.3994 10.3994 10.7845 10.7845 11.5574 11.5574 11.6889 11.6889 11.9402 11.9402 12.0714 12.0714 12.3190 12.3190 12.4591 12.4591 12.6330 12.6330 12.6433 12.6433 12.8273 12.8273 12.9485 12.9485 13.0563 13.0563 13.2300 13.2300 13.3500 13.3500 13.5485 13.5485 13.6386 13.6386 14.3078 14.3078 15.1368 15.1368 15.7721 15.7721 16.3502 16.3502 16.6586 16.6586 19.3848 19.3848 k = 0.3571 0.5361-0.0000 ( 2082 PWs) bands (ev): 5.1618 5.1618 5.4867 5.4867 7.5911 7.5911 9.3509 9.3509 9.6110 9.6110 10.3129 10.3129 10.4088 10.4088 10.7303 10.7303 11.5647 11.5647 11.7035 11.7035 11.9506 11.9506 12.0599 12.0599 12.3222 12.3222 12.4669 12.4669 12.6334 12.6334 12.6773 12.6773 12.8215 12.8215 12.9303 12.9303 13.0468 13.0468 13.2232 13.2232 13.3337 13.3337 13.5491 13.5491 13.6390 13.6390 14.3076 14.3076 15.1936 15.1936 15.7045 15.7045 16.3677 16.3677 16.6054 16.6054 19.3699 19.3699 k = 0.3512 0.5464-0.0000 ( 2086 PWs) bands (ev): 5.2068 5.2068 5.4626 5.4626 7.5708 7.5708 9.3696 9.3696 9.5711 9.5711 10.3560 10.3560 10.4187 10.4187 10.6758 10.6758 11.5703 11.5703 11.7153 11.7153 11.9600 11.9600 12.0490 12.0490 12.3251 12.3251 12.4729 12.4729 12.6338 12.6338 12.7106 12.7106 12.8161 12.8161 12.9100 12.9100 13.0390 13.0390 13.2188 13.2188 13.3195 13.3195 13.5495 13.5495 13.6393 13.6393 14.3075 14.3075 15.2507 15.2507 15.6383 15.6383 16.3854 16.3854 16.5598 16.5598 19.3585 19.3585 k = 0.3452 0.5567-0.0000 ( 2086 PWs) bands (ev): 5.2530 5.2530 5.4317 5.4317 7.5553 7.5553 9.3939 9.3939 9.5325 9.5325 10.3977 10.3977 10.4297 10.4297 10.6225 10.6225 11.5742 11.5742 11.7239 11.7239 11.9686 11.9686 12.0396 12.0396 12.3275 12.3275 12.4772 12.4772 12.6342 12.6342 12.7411 12.7411 12.8124 12.8124 12.8880 12.8880 13.0333 13.0333 13.2166 13.2166 13.3079 13.3079 13.5500 13.5500 13.6395 13.6395 14.3074 14.3074 15.3076 15.3076 15.5746 15.5746 16.4026 16.4026 16.5227 16.5227 19.3506 19.3506 k = 0.3393 0.5670-0.0000 ( 2082 PWs) bands (ev): 5.3003 5.3003 5.3936 5.3936 7.5455 7.5455 9.4229 9.4229 9.4955 9.4955 10.4302 10.4302 10.4451 10.4451 10.5741 10.5741 11.5766 11.5766 11.7292 11.7292 11.9750 11.9750 12.0330 12.0330 12.3292 12.3292 12.4796 12.4796 12.6346 12.6346 12.7637 12.7637 12.8140 12.8140 12.8663 12.8663 13.0298 13.0298 13.2161 13.2161 13.3001 13.3001 13.5503 13.5503 13.6397 13.6397 14.3074 14.3074 15.3611 15.3611 15.5168 15.5168 16.4170 16.4170 16.4963 16.4963 19.3459 19.3459 k = 0.3333 0.5774-0.0000 ( 2082 PWs) bands (ev): 5.3484 5.3484 5.3486 5.3486 7.5422 7.5422 9.4488 9.4488 9.4670 9.4670 10.4417 10.4417 10.4582 10.4582 10.5496 10.5496 11.5773 11.5773 11.7310 11.7310 11.9774 11.9774 12.0306 12.0306 12.3298 12.3298 12.4804 12.4804 12.6348 12.6348 12.7710 12.7710 12.8204 12.8204 12.8532 12.8532 13.0287 13.0287 13.2161 13.2161 13.2973 13.2973 13.5504 13.5504 13.6397 13.6397 14.3074 14.3074 15.3916 15.3916 15.4848 15.4848 16.4230 16.4230 16.4863 16.4863 19.3444 19.3444 k = 0.3333 0.5774-0.0000 ( 2082 PWs) bands (ev): 5.3484 5.3484 5.3486 5.3486 7.5422 7.5422 9.4488 9.4488 9.4670 9.4670 10.4417 10.4417 10.4582 10.4582 10.5496 10.5496 11.5773 11.5773 11.7310 11.7310 11.9774 11.9774 12.0306 12.0306 12.3298 12.3298 12.4804 12.4804 12.6348 12.6348 12.7710 12.7710 12.8204 12.8204 12.8532 12.8532 13.0287 13.0287 13.2161 13.2161 13.2973 13.2973 13.5504 13.5504 13.6397 13.6397 14.3074 14.3074 15.3916 15.3916 15.4848 15.4848 16.4230 16.4230 16.4863 16.4863 19.3444 19.3444 k = 0.3273 0.5669-0.0000 ( 2082 PWs) bands (ev): 5.2954 5.2954 5.3985 5.3985 7.5458 7.5458 9.4210 9.4210 9.4972 9.4972 10.4153 10.4153 10.4625 10.4625 10.5716 10.5716 11.5766 11.5766 11.7292 11.7292 11.9751 11.9751 12.0327 12.0327 12.3291 12.3291 12.4797 12.4797 12.6346 12.6346 12.7663 12.7663 12.8099 12.8099 12.8682 12.8682 13.0299 13.0299 13.2159 13.2159 13.3005 13.3005 13.5502 13.5502 13.6397 13.6397 14.3074 14.3074 15.3607 15.3607 15.5174 15.5174 16.4186 16.4186 16.4948 16.4948 19.3459 19.3459 k = 0.3212 0.5564-0.0000 ( 2086 PWs) bands (ev): 5.2354 5.2354 5.4492 5.4492 7.5565 7.5565 9.3873 9.3873 9.5380 9.5380 10.3631 10.3631 10.4735 10.4735 10.6128 10.6128 11.5744 11.5744 11.7240 11.7240 11.9693 11.9693 12.0370 12.0370 12.3268 12.3268 12.4777 12.4777 12.6337 12.6337 12.7549 12.7549 12.7956 12.7956 12.8942 12.8942 13.0335 13.0335 13.2150 13.2150 13.3099 13.3099 13.5495 13.5495 13.6399 13.6399 14.3074 14.3074 15.3080 15.3080 15.5752 15.5752 16.4123 16.4123 16.5133 16.5133 19.3505 19.3505 k = 0.3152 0.5459-0.0000 ( 2084 PWs) bands (ev): 5.1690 5.1690 5.5006 5.5006 7.5742 7.5742 9.3547 9.3547 9.5818 9.5818 10.3054 10.3054 10.4855 10.4855 10.6585 10.6585 11.5709 11.5709 11.7157 11.7157 11.9620 11.9620 12.0408 12.0408 12.3229 12.3229 12.4750 12.4750 12.6323 12.6323 12.7399 12.7399 12.7861 12.7861 12.9212 12.9212 13.0394 13.0394 13.2144 13.2144 13.3249 13.3249 13.5481 13.5481 13.6403 13.6403 14.3073 14.3073 15.2535 15.2535 15.6384 15.6384 16.4099 16.4099 16.5358 16.5358 19.3579 19.3579 k = 0.3091 0.5354-0.0000 ( 2082 PWs) bands (ev): 5.0969 5.0969 5.5525 5.5525 7.5988 7.5988 9.3235 9.3235 9.6276 9.6276 10.2458 10.2458 10.4980 10.4980 10.7053 10.7053 11.5662 11.5662 11.7045 11.7045 11.9543 11.9543 12.0417 12.0417 12.3174 12.3174 12.4718 12.4718 12.6302 12.6302 12.7255 12.7255 12.7805 12.7805 12.9475 12.9475 13.0474 13.0474 13.2147 13.2147 13.3443 13.3443 13.5457 13.5457 13.6415 13.6415 14.3072 14.3072 15.2006 15.2006 15.7039 15.7039 16.4132 16.4132 16.5606 16.5606 19.3682 19.3682 k = 0.3030 0.5249-0.0000 ( 2082 PWs) bands (ev): 5.0197 5.0197 5.6047 5.6047 7.6298 7.6298 9.2939 9.2939 9.6748 9.6748 10.1851 10.1851 10.5108 10.5108 10.7522 10.7522 11.5604 11.5604 11.6908 11.6908 11.9467 11.9467 12.0376 12.0376 12.3102 12.3102 12.4685 12.4685 12.6273 12.6273 12.7151 12.7151 12.7777 12.7777 12.9728 12.9728 13.0573 13.0573 13.2166 13.2166 13.3672 13.3672 13.5421 13.5421 13.6434 13.6434 14.3069 14.3069 15.1501 15.1501 15.7709 15.7709 16.4224 16.4224 16.5868 16.5868 19.3812 19.3812 k = 0.2970 0.5144-0.0000 ( 2082 PWs) bands (ev): 4.9382 4.9382 5.6571 5.6571 7.6668 7.6668 9.2661 9.2661 9.7228 9.7228 10.1238 10.1238 10.5239 10.5239 10.7986 10.7986 11.5538 11.5538 11.6749 11.6749 11.9394 11.9394 12.0276 12.0276 12.3012 12.3012 12.4656 12.4656 12.6239 12.6239 12.7105 12.7105 12.7771 12.7771 12.9970 12.9970 13.0689 13.0689 13.2206 13.2206 13.3927 13.3927 13.5374 13.5374 13.6464 13.6464 14.3064 14.3064 15.1025 15.1025 15.8392 15.8392 16.4378 16.4378 16.6145 16.6145 19.3970 19.3970 k = 0.2909 0.5039-0.0000 ( 2086 PWs) bands (ev): 4.8530 4.8530 5.7095 5.7095 7.7093 7.7093 9.2401 9.2401 9.7710 9.7710 10.0621 10.0621 10.5372 10.5372 10.8441 10.8441 11.5464 11.5464 11.6570 11.6570 11.9321 11.9321 12.0115 12.0115 12.2907 12.2907 12.4635 12.4635 12.6201 12.6201 12.7127 12.7127 12.7783 12.7783 13.0202 13.0202 13.0818 13.0818 13.2268 13.2268 13.4197 13.4197 13.5315 13.5315 13.6506 13.6506 14.3056 14.3056 15.0580 15.0580 15.9087 15.9087 16.4590 16.4590 16.6433 16.6433 19.4154 19.4154 k = 0.2848 0.4934-0.0000 ( 2094 PWs) bands (ev): 4.7647 4.7647 5.7617 5.7617 7.7568 7.7568 9.2160 9.2160 9.8185 9.8185 10.0003 10.0003 10.5508 10.5508 10.8883 10.8883 11.5382 11.5382 11.6375 11.6375 11.9248 11.9248 11.9899 11.9899 12.2790 12.2790 12.4625 12.4625 12.6162 12.6162 12.7217 12.7217 12.7811 12.7811 13.0427 13.0427 13.0956 13.0956 13.2355 13.2355 13.4474 13.4474 13.5253 13.5253 13.6560 13.6560 14.3045 14.3045 15.0166 15.0166 15.9791 15.9791 16.4859 16.4859 16.6732 16.6732 19.4365 19.4365 k = 0.2788 0.4829-0.0000 ( 2098 PWs) bands (ev): 4.6741 4.6741 5.8135 5.8135 7.8087 7.8087 9.1941 9.1941 9.8644 9.8644 9.9391 9.9391 10.5645 10.5645 10.9308 10.9308 11.5291 11.5291 11.6170 11.6170 11.9158 11.9158 11.9652 11.9652 12.2663 12.2663 12.4627 12.4627 12.6123 12.6123 12.7370 12.7370 12.7859 12.7859 13.0649 13.0649 13.1103 13.1103 13.2468 13.2468 13.4730 13.4730 13.5210 13.5210 13.6626 13.6626 14.3032 14.3032 14.9786 14.9786 16.0506 16.0506 16.5183 16.5183 16.7044 16.7044 19.4602 19.4602 k = 0.2727 0.4724-0.0000 ( 2090 PWs) bands (ev): 4.5817 4.5817 5.8648 5.8648 7.8648 7.8648 9.1743 9.1743 9.8724 9.8724 9.9143 9.9143 10.5785 10.5785 10.9714 10.9714 11.5188 11.5188 11.5963 11.5963 11.9005 11.9005 11.9433 11.9433 12.2530 12.2530 12.4641 12.4641 12.6090 12.6090 12.7578 12.7578 12.7924 12.7924 13.0870 13.0870 13.1257 13.1257 13.2610 13.2610 13.4866 13.4866 13.5285 13.5285 13.6706 13.6706 14.3016 14.3016 14.9440 14.9440 16.1231 16.1231 16.5559 16.5559 16.7368 16.7368 19.4866 19.4866 k = 0.2667 0.4619-0.0000 ( 2090 PWs) bands (ev): 4.4879 4.4879 5.9152 5.9152 7.9246 7.9246 9.1568 9.1568 9.8124 9.8124 9.9551 9.9551 10.5926 10.5926 11.0097 11.0097 11.5061 11.5061 11.5767 11.5767 11.8734 11.8734 11.9307 11.9307 12.2393 12.2393 12.4666 12.4666 12.6062 12.6062 12.7824 12.7824 12.8013 12.8013 13.1093 13.1093 13.1415 13.1415 13.2779 13.2779 13.4834 13.4834 13.5526 13.5526 13.6795 13.6795 14.2995 14.2995 14.9128 14.9128 16.1964 16.1964 16.5984 16.5984 16.7704 16.7704 19.5158 19.5158 k = 0.2606 0.4514-0.0000 ( 2090 PWs) bands (ev): 4.3932 4.3932 5.9647 5.9647 7.9875 7.9875 9.1418 9.1418 9.7508 9.7508 9.9949 9.9949 10.6067 10.6067 11.0454 11.0454 11.4895 11.4895 11.5601 11.5601 11.8385 11.8385 11.9246 11.9246 12.2257 12.2257 12.4702 12.4702 12.6042 12.6042 12.8032 12.8032 12.8189 12.8189 13.1319 13.1319 13.1574 13.1574 13.2976 13.2976 13.4743 13.4743 13.5824 13.5824 13.6895 13.6895 14.2969 14.2969 14.8848 14.8848 16.2705 16.2705 16.6455 16.6455 16.8053 16.8053 19.5476 19.5476 k = 0.2545 0.4409-0.0000 ( 2090 PWs) bands (ev): 4.2981 4.2981 6.0129 6.0129 8.0534 8.0534 9.1292 9.1292 9.6891 9.6891 10.0315 10.0315 10.6210 10.6210 11.0782 11.0782 11.4680 11.4680 11.5478 11.5478 11.8005 11.8005 11.9212 11.9212 12.2129 12.2129 12.4750 12.4750 12.6032 12.6032 12.8155 12.8155 12.8488 12.8488 13.1553 13.1553 13.1733 13.1733 13.3203 13.3203 13.4637 13.4637 13.6138 13.6138 13.7007 13.7007 14.2939 14.2939 14.8602 14.8602 16.3454 16.3454 16.6967 16.6967 16.8415 16.8415 19.5821 19.5821 k = 0.2485 0.4304-0.0000 ( 2086 PWs) bands (ev): 4.2029 4.2029 6.0597 6.0597 8.1219 8.1219 9.1193 9.1193 9.6276 9.6276 10.0642 10.0642 10.6352 10.6352 11.1079 11.1079 11.4419 11.4419 11.5397 11.5397 11.7614 11.7614 11.9187 11.9187 12.2019 12.2019 12.4807 12.4807 12.6036 12.6036 12.8269 12.8269 12.8824 12.8824 13.1795 13.1795 13.1894 13.1894 13.3459 13.3459 13.4529 13.4529 13.6462 13.6462 13.7130 13.7130 14.2904 14.2904 14.8387 14.8387 16.4209 16.4209 16.7519 16.7519 16.8792 16.8792 19.6195 19.6195 k = 0.2424 0.4199-0.0000 ( 2092 PWs) bands (ev): 4.1078 4.1078 6.1047 6.1047 8.1925 8.1925 9.1121 9.1121 9.5665 9.5665 10.0924 10.0924 10.6495 10.6495 11.1342 11.1342 11.4122 11.4122 11.5348 11.5348 11.7224 11.7224 11.9163 11.9163 12.1932 12.1932 12.4873 12.4873 12.6055 12.6055 12.8388 12.8388 12.9170 12.9170 13.2017 13.2017 13.2084 13.2084 13.3732 13.3732 13.4432 13.4432 13.6789 13.6789 13.7267 13.7267 14.2865 14.2865 14.8203 14.8203 16.4969 16.4969 16.8104 16.8104 16.9184 16.9184 19.6597 19.6597 k = 0.2364 0.4094-0.0000 ( 2090 PWs) bands (ev): 4.0132 4.0132 6.1480 6.1480 8.2651 8.2651 9.1077 9.1077 9.5058 9.5058 10.1160 10.1160 10.6636 10.6636 11.1571 11.1571 11.3803 11.3803 11.5322 11.5322 11.6842 11.6842 11.9132 11.9132 12.1883 12.1883 12.4946 12.4946 12.6093 12.6093 12.8513 12.8513 12.9517 12.9517 13.2180 13.2180 13.2347 13.2347 13.3987 13.3987 13.4391 13.4391 13.7114 13.7114 13.7424 13.7424 14.2823 14.2823 14.8047 14.8047 16.5734 16.5734 16.8718 16.8718 16.9596 16.9596 19.7028 19.7028 k = 0.2303 0.3989-0.0000 ( 2090 PWs) bands (ev): 3.9193 3.9193 6.1891 6.1891 8.3394 8.3394 9.1061 9.1061 9.4456 9.4456 10.1346 10.1346 10.6778 10.6778 11.1764 11.1764 11.3469 11.3469 11.5312 11.5312 11.6472 11.6472 11.9080 11.9080 12.1879 12.1879 12.5022 12.5022 12.6151 12.6151 12.8645 12.8645 12.9856 12.9856 13.2330 13.2330 13.2637 13.2637 13.4067 13.4067 13.4564 13.4564 13.7409 13.7409 13.7634 13.7634 14.2777 14.2777 14.7920 14.7920 16.6502 16.6502 16.9351 16.9351 17.0032 17.0032 19.7489 19.7489 k = 0.2242 0.3884-0.0000 ( 2100 PWs) bands (ev): 3.8264 3.8264 6.2280 6.2280 8.4151 8.4151 9.1075 9.1075 9.3860 9.3860 10.1480 10.1480 10.6918 10.6918 11.1920 11.1920 11.3126 11.3126 11.5309 11.5309 11.6119 11.6119 11.9005 11.9005 12.1932 12.1932 12.5097 12.5097 12.6230 12.6230 12.8782 12.8782 13.0178 13.0178 13.2472 13.2472 13.2946 13.2946 13.4011 13.4011 13.4915 13.4915 13.7630 13.7630 13.7943 13.7943 14.2727 14.2727 14.7818 14.7818 16.7272 16.7272 16.9984 16.9984 17.0508 17.0508 19.7979 19.7979 k = 0.2182 0.3779-0.0000 ( 2096 PWs) bands (ev): 3.7346 3.7346 6.2644 6.2644 8.4919 8.4919 9.1118 9.1118 9.3270 9.3270 10.1566 10.1566 10.7058 10.7058 11.2039 11.2039 11.2786 11.2786 11.5301 11.5301 11.5794 11.5794 11.8902 11.8902 12.2046 12.2046 12.5173 12.5173 12.6331 12.6331 12.8925 12.8925 13.0482 13.0482 13.2610 13.2610 13.3269 13.3269 13.3937 13.3937 13.5331 13.5331 13.7817 13.7817 13.8318 13.8318 14.2677 14.2677 14.7739 14.7739 16.8044 16.8044 17.0585 17.0585 17.1056 17.1056 19.8501 19.8501 k = 0.2121 0.3674-0.0000 ( 2094 PWs) bands (ev): 3.6442 3.6442 6.2983 6.2983 8.5696 8.5696 9.1190 9.1190 9.2688 9.2688 10.1604 10.1604 10.7196 10.7196 11.2106 11.2106 11.2464 11.2464 11.5235 11.5235 11.5547 11.5547 11.8769 11.8769 12.2223 12.2223 12.5245 12.5245 12.6452 12.6452 12.9072 12.9072 13.0765 13.0765 13.2743 13.2743 13.3590 13.3590 13.3879 13.3879 13.5792 13.5792 13.8003 13.8003 13.8730 13.8730 14.2625 14.2625 14.7683 14.7683 16.8814 16.8814 17.1130 17.1130 17.1692 17.1692 19.9052 19.9052 k = 0.2061 0.3569-0.0000 ( 2102 PWs) bands (ev): 3.5552 3.5552 6.3295 6.3295 8.6481 8.6481 9.1288 9.1288 9.2114 9.2114 10.1597 10.1597 10.7331 10.7331 11.2007 11.2007 11.2283 11.2283 11.5018 11.5018 11.5463 11.5463 11.8608 11.8608 12.2456 12.2456 12.5314 12.5314 12.6586 12.6586 12.9223 12.9223 13.1027 13.1027 13.2870 13.2870 13.3754 13.3754 13.3990 13.3990 13.6287 13.6287 13.8201 13.8201 13.9179 13.9179 14.2573 14.2573 14.7647 14.7647 16.9582 16.9582 17.1644 17.1644 17.2391 17.2391 19.9308 19.9308 k = 0.2000 0.3464-0.0000 ( 2106 PWs) bands (ev): 3.4678 3.4678 6.3578 6.3578 8.7270 8.7270 9.1402 9.1402 9.1561 9.1561 10.1548 10.1548 10.7464 10.7464 11.1715 11.1715 11.2274 11.2274 11.4738 11.4738 11.5458 11.5458 11.8423 11.8423 12.2739 12.2739 12.5384 12.5384 12.6733 12.6733 12.9378 12.9378 13.1268 13.1268 13.2992 13.2992 13.3728 13.3728 13.4305 13.4305 13.6812 13.6812 13.8418 13.8418 13.9664 13.9664 14.2525 14.2525 14.7630 14.7630 17.0345 17.0345 17.2152 17.2152 17.3120 17.3120 19.8520 19.8520 k = 0.1939 0.3359-0.0000 ( 2106 PWs) bands (ev): 3.3821 3.3821 6.3834 6.3834 8.8062 8.8062 9.0984 9.0984 9.1574 9.1574 10.1463 10.1463 10.7594 10.7594 11.1407 11.1407 11.2271 11.2271 11.4454 11.4454 11.5469 11.5469 11.8219 11.8219 12.3064 12.3064 12.5453 12.5453 12.6886 12.6886 12.9537 12.9537 13.1491 13.1491 13.3109 13.3109 13.3699 13.3699 13.4625 13.4625 13.7351 13.7351 13.8673 13.8673 14.0192 14.0192 14.2481 14.2481 14.7630 14.7630 17.1102 17.1102 17.2668 17.2668 17.3865 17.3865 19.7745 19.7745 k = 0.1879 0.3254-0.0000 ( 2092 PWs) bands (ev): 3.2984 3.2984 6.4062 6.4062 8.8855 8.8855 9.0440 9.0440 9.1749 9.1749 10.1344 10.1344 10.7722 10.7722 11.1110 11.1110 11.2251 11.2251 11.4181 11.4181 11.5483 11.5483 11.7999 11.7999 12.3422 12.3422 12.5527 12.5527 12.7042 12.7042 12.9700 12.9700 13.1700 13.1700 13.3223 13.3223 13.3685 13.3685 13.4933 13.4933 13.7870 13.7870 13.9000 13.9000 14.0762 14.0762 14.2447 14.2447 14.7646 14.7646 17.1851 17.1851 17.3196 17.3196 17.4614 17.4614 19.6996 19.6996 k = 0.1818 0.3149-0.0000 ( 2096 PWs) bands (ev): 3.2165 3.2165 6.4261 6.4261 8.9646 8.9646 8.9905 8.9905 9.1945 9.1945 10.1197 10.1197 10.7847 10.7847 11.0829 11.0829 11.2211 11.2211 11.3915 11.3915 11.5495 11.5495 11.7766 11.7766 12.3802 12.3802 12.5601 12.5601 12.7190 12.7190 12.9865 12.9865 13.1893 13.1893 13.3329 13.3329 13.3686 13.3686 13.5216 13.5216 13.8315 13.8315 13.9453 13.9453 14.1365 14.1365 14.2430 14.2430 14.7675 14.7675 17.2588 17.2588 17.3738 17.3738 17.5359 17.5359 19.6274 19.6274 k = 0.1758 0.3044-0.0000 ( 2092 PWs) bands (ev): 3.1367 3.1367 6.4433 6.4433 8.9380 8.9380 9.0436 9.0436 9.2161 9.2161 10.1026 10.1026 10.7969 10.7969 11.0571 11.0571 11.2154 11.2154 11.3663 11.3663 11.5504 11.5504 11.7524 11.7524 12.4199 12.4199 12.5679 12.5679 12.7331 12.7331 13.0035 13.0035 13.2076 13.2076 13.3430 13.3430 13.3703 13.3703 13.5475 13.5475 13.8660 13.8660 14.0058 14.0058 14.1938 14.1938 14.2498 14.2498 14.7717 14.7717 17.3312 17.3312 17.4297 17.4297 17.6093 17.6093 19.5583 19.5583 k = 0.1697 0.2939-0.0000 ( 2095 PWs) bands (ev): 3.0591 3.0591 6.4577 6.4577 8.8867 8.8867 9.1219 9.1219 9.2391 9.2391 10.0836 10.0836 10.8087 10.8087 11.0335 11.0335 11.2081 11.2081 11.3424 11.3424 11.5510 11.5510 11.7274 11.7274 12.4603 12.4603 12.5761 12.5761 12.7460 12.7460 13.0209 13.0209 13.2249 13.2249 13.3526 13.3526 13.3735 13.3735 13.5707 13.5707 13.8935 13.8935 14.0785 14.0785 14.2187 14.2187 14.2945 14.2945 14.7771 14.7771 17.4020 17.4020 17.4872 17.4872 17.6809 17.6809 19.4924 19.4924 k = 0.1636 0.2834-0.0000 ( 2099 PWs) bands (ev): 2.9836 2.9836 6.4696 6.4696 8.8366 8.8366 9.1995 9.1995 9.2633 9.2633 10.0631 10.0631 10.8200 10.8200 11.0123 11.0123 11.1995 11.1995 11.3200 11.3200 11.5511 11.5511 11.7017 11.7017 12.5006 12.5006 12.5849 12.5849 12.7576 12.7576 13.0387 13.0387 13.2414 13.2414 13.3618 13.3618 13.3781 13.3781 13.5912 13.5912 13.9174 13.9174 14.1597 14.1597 14.2216 14.2216 14.3666 14.3666 14.7835 14.7835 17.4710 17.4710 17.5465 17.5465 17.7497 17.7497 19.4301 19.4301 k = 0.1576 0.2729-0.0000 ( 2099 PWs) bands (ev): 2.9105 2.9105 6.4791 6.4791 8.7879 8.7879 9.2758 9.2758 9.2886 9.2886 10.0414 10.0414 10.8310 10.8310 10.9936 10.9936 11.1899 11.1899 11.2994 11.2994 11.5509 11.5509 11.6757 11.6757 12.5397 12.5397 12.5949 12.5949 12.7681 12.7681 13.0569 13.0569 13.2571 13.2571 13.3704 13.3704 13.3839 13.3839 13.6093 13.6093 13.9396 13.9396 14.2201 14.2201 14.2493 14.2493 14.4471 14.4471 14.7909 14.7909 17.5377 17.5377 17.6075 17.6075 17.8150 17.8150 19.3719 19.3719 k = 0.1515 0.2624-0.0000 ( 2091 PWs) bands (ev): 2.8397 2.8397 6.4863 6.4863 8.7406 8.7406 9.3134 9.3134 9.3520 9.3520 10.0191 10.0191 10.8418 10.8418 10.9774 10.9774 11.1795 11.1795 11.2810 11.2810 11.5500 11.5500 11.6496 11.6496 12.5754 12.5754 12.6078 12.6078 12.7773 12.7773 13.0756 13.0756 13.2724 13.2724 13.3787 13.3787 13.3907 13.3907 13.6250 13.6250 13.9609 13.9609 14.2201 14.2201 14.3431 14.3431 14.5330 14.5330 14.7992 14.7992 17.6022 17.6022 17.6702 17.6702 17.8756 17.8756 19.3182 19.3182 k = 0.1455 0.2519-0.0000 ( 2095 PWs) bands (ev): 2.7713 2.7713 6.4914 6.4914 8.6946 8.6946 9.3388 9.3388 9.4260 9.4260 9.9963 9.9963 10.8519 10.8519 10.9633 10.9633 11.1682 11.1682 11.2647 11.2647 11.5482 11.5482 11.6237 11.6237 12.6004 12.6004 12.6303 12.6303 12.7852 12.7852 13.0948 13.0948 13.2870 13.2870 13.3861 13.3861 13.3983 13.3983 13.6385 13.6385 13.9815 13.9815 14.2200 14.2200 14.4426 14.4426 14.6232 14.6232 14.8083 14.8083 17.6641 17.6641 17.7344 17.7344 17.9306 17.9306 19.2696 19.2696 k = 0.1394 0.2414-0.0000 ( 2095 PWs) bands (ev): 2.7053 2.7053 6.4946 6.4946 8.6501 8.6501 9.3637 9.3637 9.4984 9.4984 9.9739 9.9739 10.8616 10.8616 10.9513 10.9513 11.1564 11.1564 11.2510 11.2510 11.5445 11.5445 11.5992 11.5992 12.6146 12.6146 12.6622 12.6622 12.7920 12.7920 13.1145 13.1145 13.3012 13.3012 13.3930 13.3930 13.4065 13.4065 13.6500 13.6500 14.0017 14.0017 14.2203 14.2203 14.5475 14.5475 14.7171 14.7171 14.8187 14.8187 17.7233 17.7233 17.8000 17.8000 17.9790 17.9790 19.2266 19.2266 k = 0.1333 0.2309-0.0000 ( 2107 PWs) bands (ev): 2.6418 2.6418 6.4960 6.4960 8.6072 8.6072 9.3880 9.3880 9.5684 9.5684 9.9523 9.9523 10.8708 10.8708 10.9408 10.9408 11.1441 11.1441 11.2403 11.2403 11.5362 11.5362 11.5788 11.5788 12.6257 12.6257 12.6952 12.6952 12.7979 12.7979 13.1343 13.1343 13.3148 13.3148 13.3994 13.3994 13.4146 13.4146 13.6594 13.6594 14.0214 14.0214 14.2210 14.2210 14.6572 14.6572 14.8081 14.8081 14.8365 14.8365 17.7796 17.7796 17.8668 17.8668 18.0196 18.0196 19.1899 19.1899 k = 0.1273 0.2204-0.0000 ( 2107 PWs) bands (ev): 2.5810 2.5810 6.4959 6.4959 8.5658 8.5658 9.4112 9.4112 9.6349 9.6349 9.9329 9.9329 10.8796 10.8796 10.9316 10.9316 11.1317 11.1317 11.2331 11.2331 11.5194 11.5194 11.5665 11.5665 12.6362 12.6362 12.7268 12.7268 12.8032 12.8032 13.1549 13.1549 13.3282 13.3282 13.4052 13.4052 13.4229 13.4229 13.6672 13.6672 14.0407 14.0407 14.2225 14.2225 14.7713 14.7713 14.8354 14.8354 14.9226 14.9226 17.8327 17.8327 17.9346 17.9346 18.0520 18.0520 19.1598 19.1598 k = 0.1212 0.2099-0.0000 ( 2111 PWs) bands (ev): 2.5227 2.5227 6.4945 6.4945 8.5260 8.5260 9.4332 9.4332 9.6956 9.6956 9.9181 9.9181 10.8878 10.8878 10.9234 10.9234 11.1192 11.1192 11.2297 11.2297 11.4956 11.4956 11.5607 11.5607 12.6464 12.6464 12.7560 12.7560 12.8081 12.8081 13.1757 13.1757 13.3413 13.3413 13.4107 13.4107 13.4309 13.4309 13.6732 13.6732 14.0596 14.0596 14.2246 14.2246 14.8465 14.8465 14.8907 14.8907 15.0280 15.0280 17.8826 17.8826 18.0026 18.0026 18.0760 18.0760 19.1366 19.1366 k = 0.1152 0.1994-0.0000 ( 2111 PWs) bands (ev): 2.4670 2.4670 6.4918 6.4918 8.4879 8.4879 9.4537 9.4537 9.7446 9.7446 9.9140 9.9140 10.8951 10.8951 10.9158 10.9158 11.1067 11.1067 11.2305 11.2305 11.4688 11.4688 11.5576 11.5576 12.6564 12.6564 12.7822 12.7822 12.8135 12.8135 13.1968 13.1968 13.3542 13.3542 13.4157 13.4157 13.4384 13.4384 13.6778 13.6778 14.0781 14.0781 14.2272 14.2272 14.8584 14.8584 15.0130 15.0130 15.1378 15.1378 17.9290 17.9290 18.0657 18.0657 18.0963 18.0963 19.1200 19.1200 k = 0.1091 0.1890-0.0000 ( 2107 PWs) bands (ev): 2.4140 2.4140 6.4883 6.4883 8.4515 8.4515 9.4725 9.4725 9.7718 9.7718 9.9308 9.9308 10.8999 10.8999 10.9105 10.9105 11.0944 11.0944 11.2355 11.2355 11.4406 11.4406 11.5557 11.5557 12.6663 12.6663 12.8021 12.8021 12.8227 12.8227 13.2181 13.2181 13.3669 13.3669 13.4205 13.4205 13.4455 13.4455 13.6808 13.6808 14.0960 14.0960 14.2304 14.2304 14.8700 14.8700 15.1393 15.1393 15.2516 15.2516 17.9718 17.9718 18.0878 18.0878 18.1491 18.1491 19.1097 19.1097 k = 0.1030 0.1785-0.0000 ( 2111 PWs) bands (ev): 2.3637 2.3637 6.4839 6.4839 8.4169 8.4169 9.4896 9.4896 9.7751 9.7751 9.9704 9.9704 10.8958 10.8958 10.9130 10.9130 11.0823 11.0823 11.2446 11.2446 11.4117 11.4117 11.5541 11.5541 12.6758 12.6758 12.8115 12.8115 12.8396 12.8396 13.2392 13.2392 13.3795 13.3795 13.4247 13.4247 13.4519 13.4519 13.6826 13.6826 14.1134 14.1134 14.2339 14.2339 14.8815 14.8815 15.2691 15.2691 15.3691 15.3691 18.0110 18.0110 18.0863 18.0863 18.2174 18.2174 19.1045 19.1045 k = 0.0970 0.1680-0.0000 ( 2111 PWs) bands (ev): 2.3161 2.3161 6.4788 6.4788 8.3840 8.3840 9.5051 9.5051 9.7654 9.7654 10.0221 10.0221 10.8876 10.8876 10.9188 10.9188 11.0705 11.0705 11.2577 11.2577 11.3822 11.3822 11.5528 11.5528 12.6851 12.6851 12.8163 12.8163 12.8590 12.8590 13.2600 13.2600 13.3919 13.3919 13.4286 13.4286 13.4577 13.4577 13.6831 13.6831 14.1301 14.1301 14.2379 14.2379 14.8930 14.8930 15.4021 15.4021 15.4905 15.4905 18.0464 18.0464 18.0765 18.0765 18.2865 18.2865 19.1032 19.1032 k = 0.0909 0.1575-0.0000 ( 2111 PWs) bands (ev): 2.2713 2.2713 6.4733 6.4733 8.3530 8.3530 9.5188 9.5188 9.7507 9.7507 10.0782 10.0782 10.8786 10.8786 10.9247 10.9247 11.0591 11.0591 11.2742 11.2742 11.3523 11.3523 11.5517 11.5517 12.6939 12.6939 12.8200 12.8200 12.8774 12.8774 13.2803 13.2803 13.4041 13.4041 13.4322 13.4322 13.4629 13.4629 13.6823 13.6823 14.1460 14.1460 14.2421 14.2421 14.9044 14.9044 15.5378 15.5378 15.6157 15.6157 18.0597 18.0597 18.0792 18.0792 18.3546 18.3546 19.1046 19.1046 k = 0.0848 0.1470-0.0000 ( 2115 PWs) bands (ev): 2.2293 2.2293 6.4675 6.4675 8.3238 8.3238 9.5308 9.5308 9.7343 9.7343 10.1353 10.1353 10.8691 10.8691 10.9302 10.9302 11.0481 11.0481 11.2930 11.2930 11.3226 11.3226 11.5506 11.5506 12.7022 12.7022 12.8233 12.8233 12.8942 12.8942 13.2998 13.2998 13.4159 13.4159 13.4359 13.4359 13.4676 13.4676 13.6805 13.6805 14.1612 14.1612 14.2466 14.2466 14.9156 14.9156 15.6758 15.6758 15.7451 15.7451 18.0396 18.0396 18.1074 18.1074 18.4207 18.4207 19.1072 19.1072 k = 0.0788 0.1365-0.0000 ( 2115 PWs) bands (ev): 2.1901 2.1901 6.4615 6.4615 8.2965 8.2965 9.5412 9.5412 9.7177 9.7177 10.1921 10.1921 10.8595 10.8595 10.9355 10.9355 11.0376 11.0376 11.2895 11.2895 11.3173 11.3173 11.5497 11.5497 12.7099 12.7099 12.8266 12.8266 12.9094 12.9094 13.3184 13.3184 13.4263 13.4263 13.4406 13.4406 13.4717 13.4717 13.6776 13.6776 14.1755 14.1755 14.2512 14.2512 14.9264 14.9264 15.8157 15.8157 15.8788 15.8788 18.0161 18.0161 18.1326 18.1326 18.4832 18.4832 19.1096 19.1096 k = 0.0727 0.1260-0.0000 ( 2115 PWs) bands (ev): 2.1537 2.1537 6.4555 6.4555 8.2711 8.2711 9.5501 9.5501 9.7014 9.7014 10.2480 10.2480 10.8499 10.8499 10.9403 10.9403 11.0276 11.0276 11.2592 11.2592 11.3401 11.3401 11.5488 11.5488 12.7170 12.7170 12.8300 12.8300 12.9230 12.9230 13.3358 13.3358 13.4333 13.4333 13.4483 13.4483 13.4755 13.4755 13.6739 13.6739 14.1889 14.1889 14.2559 14.2559 14.9368 14.9368 15.9570 15.9570 16.0168 16.0168 17.9906 17.9906 18.1546 18.1546 18.5402 18.5402 19.1101 19.1101 k = 0.0667 0.1155-0.0000 ( 2119 PWs) bands (ev): 2.1201 2.1201 6.4495 6.4495 8.2476 8.2476 9.5577 9.5577 9.6860 9.6860 10.3026 10.3026 10.8405 10.8405 10.9447 10.9447 11.0183 11.0183 11.2278 11.2278 11.3645 11.3645 11.5479 11.5479 12.7233 12.7233 12.8332 12.8332 12.9351 12.9351 13.3520 13.3520 13.4369 13.4369 13.4589 13.4589 13.4788 13.4788 13.6692 13.6692 14.2012 14.2012 14.2607 14.2607 14.9467 14.9467 16.0996 16.0996 16.1590 16.1590 17.9641 17.9641 18.1737 18.1737 18.5886 18.5886 19.1068 19.1068 k = 0.0606 0.1050-0.0000 ( 2123 PWs) bands (ev): 2.0894 2.0894 6.4436 6.4436 8.2261 8.2261 9.5639 9.5639 9.6717 9.6717 10.3559 10.3559 10.8315 10.8315 10.9486 10.9486 11.0097 11.0097 11.1958 11.1958 11.3893 11.3893 11.5471 11.5471 12.7290 12.7290 12.8367 12.8367 12.9456 12.9456 13.3670 13.3670 13.4389 13.4389 13.4704 13.4704 13.4820 13.4820 13.6638 13.6638 14.2124 14.2124 14.2656 14.2656 14.9559 14.9559 16.2436 16.2436 16.3050 16.3050 17.9376 17.9376 18.1901 18.1901 18.6236 18.6236 19.0971 19.0971 k = 0.0545 0.0945-0.0000 ( 2131 PWs) bands (ev): 2.0616 2.0616 6.4381 6.4381 8.2065 8.2065 9.5689 9.5689 9.6587 9.6587 10.4075 10.4075 10.8230 10.8230 10.9520 10.9520 11.0016 11.0016 11.1635 11.1635 11.4138 11.4138 11.5465 11.5465 12.7339 12.7339 12.8400 12.8400 12.9550 12.9550 13.3805 13.3805 13.4402 13.4402 13.4814 13.4814 13.4854 13.4854 13.6577 13.6577 14.2223 14.2223 14.2704 14.2704 14.9645 14.9645 16.3895 16.3895 16.4541 16.4541 17.9118 17.9118 18.2039 18.2039 18.6386 18.6386 19.0800 19.0800 k = 0.0485 0.0840-0.0000 ( 2125 PWs) bands (ev): 2.0367 2.0367 6.4329 6.4329 8.1890 8.1890 9.5727 9.5727 9.6471 9.6471 10.4578 10.4578 10.8153 10.8153 10.9551 10.9551 10.9943 10.9943 11.1310 11.1310 11.4375 11.4375 11.5460 11.5460 12.7384 12.7384 12.8435 12.8435 12.9632 12.9632 13.3929 13.3929 13.4412 13.4412 13.4870 13.4870 13.4942 13.4942 13.6512 13.6512 14.2311 14.2311 14.2752 14.2752 14.9725 14.9725 16.5374 16.5374 16.6055 16.6055 17.8872 17.8872 18.2156 18.2156 18.6269 18.6269 19.0479 19.0479 k = 0.0424 0.0735-0.0000 ( 2131 PWs) bands (ev): 2.0147 2.0147 6.4281 6.4281 8.1735 8.1735 9.5754 9.5754 9.6372 9.6372 10.5063 10.5063 10.8084 10.8084 10.9575 10.9575 10.9874 10.9874 11.0983 11.0983 11.4596 11.4596 11.5456 11.5456 12.7421 12.7421 12.8468 12.8468 12.9701 12.9701 13.4038 13.4038 13.4418 13.4418 13.4899 13.4899 13.5047 13.5047 13.6443 13.6443 14.2386 14.2386 14.2799 14.2799 14.9795 14.9795 16.6876 16.6876 16.7584 16.7584 17.8645 17.8645 18.2252 18.2252 18.5862 18.5862 18.9685 18.9685 k = 0.0364 0.0630-0.0000 ( 2137 PWs) bands (ev): 1.9956 1.9956 6.4238 6.4238 8.1600 8.1600 9.5770 9.5770 9.6290 9.6290 10.5533 10.5533 10.8024 10.8024 10.9592 10.9592 10.9806 10.9806 11.0660 11.0660 11.4796 11.4796 11.5455 11.5455 12.7451 12.7451 12.8499 12.8499 12.9761 12.9761 13.4134 13.4134 13.4420 13.4420 13.4924 13.4924 13.5146 13.5146 13.6372 13.6372 14.2447 14.2447 14.2843 14.2843 14.9859 14.9859 16.8403 16.8403 16.9124 16.9124 17.8440 17.8440 18.2330 18.2330 18.5199 18.5199 18.8388 18.8388 k = 0.0303 0.0525-0.0000 ( 2133 PWs) bands (ev): 1.9794 1.9794 6.4201 6.4201 8.1486 8.1486 9.5776 9.5776 9.6227 9.6227 10.5982 10.5982 10.7978 10.7978 10.9600 10.9600 10.9735 10.9735 11.0353 11.0353 11.4972 11.4972 11.5457 11.5457 12.7477 12.7477 12.8527 12.8527 12.9810 12.9810 13.4216 13.4216 13.4423 13.4423 13.4949 13.4949 13.5236 13.5236 13.6302 13.6302 14.2498 14.2498 14.2884 14.2884 14.9913 14.9913 16.9955 16.9955 17.0666 17.0666 17.8261 17.8261 18.2392 18.2392 18.4334 18.4334 18.6826 18.6826 k = 0.0242 0.0420-0.0000 ( 2133 PWs) bands (ev): 1.9662 1.9662 6.4170 6.4170 8.1392 8.1392 9.5773 9.5773 9.6181 9.6181 10.6408 10.6408 10.7948 10.7948 10.9561 10.9561 10.9662 10.9662 11.0094 11.0094 11.5115 11.5115 11.5464 11.5464 12.7498 12.7498 12.8552 12.8552 12.9849 12.9849 13.4283 13.4283 13.4424 13.4424 13.4974 13.4974 13.5315 13.5315 13.6235 13.6235 14.2538 14.2538 14.2919 14.2919 14.9958 14.9958 17.1529 17.1529 17.2200 17.2200 17.8111 17.8111 18.2438 18.2438 18.3315 18.3315 18.5162 18.5162 k = 0.0182 0.0315-0.0000 ( 2133 PWs) bands (ev): 1.9558 1.9558 6.4146 6.4146 8.1319 8.1319 9.5765 9.5765 9.6151 9.6151 10.6799 10.6799 10.7944 10.7944 10.9371 10.9371 10.9641 10.9641 10.9936 10.9936 11.5221 11.5221 11.5479 11.5479 12.7514 12.7514 12.8572 12.8572 12.9879 12.9879 13.4335 13.4335 13.4425 13.4425 13.4995 13.4995 13.5381 13.5381 13.6174 13.6174 14.2568 14.2568 14.2948 14.2948 14.9992 14.9992 17.3122 17.3122 17.3719 17.3719 17.7994 17.7994 18.2162 18.2162 18.2486 18.2486 18.3470 18.3470 k = 0.0121 0.0210-0.0000 ( 2125 PWs) bands (ev): 1.9485 1.9485 6.4128 6.4128 8.1267 8.1267 9.5756 9.5756 9.6133 9.6133 10.7128 10.7128 10.7988 10.7988 10.9086 10.9086 10.9637 10.9637 10.9867 10.9867 11.5286 11.5286 11.5502 11.5502 12.7526 12.7526 12.8588 12.8588 12.9901 12.9901 13.4373 13.4373 13.4426 13.4426 13.5013 13.5013 13.5433 13.5433 13.6124 13.6124 14.2589 14.2589 14.2970 14.2970 15.0018 15.0018 17.4724 17.4724 17.5202 17.5202 17.7912 17.7912 18.0928 18.0928 18.1798 18.1798 18.2506 18.2506 k = 0.0061 0.0105-0.0000 ( 2125 PWs) bands (ev): 1.9441 1.9441 6.4118 6.4118 8.1236 8.1236 9.5748 9.5748 9.6124 9.6124 10.7342 10.7342 10.8114 10.8114 10.8785 10.8785 10.9633 10.9633 10.9840 10.9840 11.5318 11.5318 11.5524 11.5524 12.7532 12.7532 12.8597 12.8597 12.9914 12.9914 13.4396 13.4396 13.4426 13.4426 13.5025 13.5025 13.5466 13.5466 13.6091 13.6091 14.2602 14.2602 14.2984 14.2984 15.0033 15.0033 17.6292 17.6292 17.6593 17.6593 17.7880 17.7880 17.9612 17.9612 18.0236 18.0236 18.2519 18.2519 k = 0.0000 0.0000 0.0000 ( 2125 PWs) bands (ev): 1.9426 1.9426 6.4114 6.4114 8.1225 8.1225 9.5746 9.5746 9.6121 9.6121 10.7410 10.7410 10.8244 10.8244 10.8597 10.8597 10.9632 10.9632 10.9833 10.9833 11.5326 11.5326 11.5533 11.5533 12.7535 12.7535 12.8600 12.8600 12.9918 12.9918 13.4403 13.4403 13.4426 13.4426 13.5029 13.5029 13.5478 13.5478 13.6079 13.6079 14.2606 14.2606 14.2988 14.2988 15.0039 15.0039 17.7347 17.7347 17.7407 17.7407 17.8035 17.8035 17.8537 17.8537 17.9302 17.9302 18.2523 18.2523 k = 0.0000 0.0000 0.0000 ( 2125 PWs) bands (ev): 1.9426 1.9426 6.4114 6.4114 8.1225 8.1225 9.5746 9.5746 9.6121 9.6121 10.7410 10.7410 10.8244 10.8244 10.8597 10.8597 10.9632 10.9632 10.9833 10.9833 11.5326 11.5326 11.5533 11.5533 12.7535 12.7535 12.8600 12.8600 12.9918 12.9918 13.4403 13.4403 13.4426 13.4426 13.5029 13.5029 13.5478 13.5478 13.6079 13.6079 14.2606 14.2606 14.2988 14.2988 15.0039 15.0039 17.7347 17.7347 17.7407 17.7407 17.8035 17.8035 17.8537 17.8537 17.9302 17.9302 18.2523 18.2523 k = 0.0000 0.0000 0.0121 ( 2125 PWs) bands (ev): 1.9441 1.9441 6.4016 6.4016 8.1314 8.1314 9.5749 9.5749 9.6124 9.6124 10.7366 10.7366 10.8171 10.8171 10.8616 10.8616 10.9673 10.9673 10.9886 10.9886 11.5326 11.5326 11.5532 11.5532 12.7545 12.7545 12.8609 12.8609 12.9913 12.9913 13.4404 13.4404 13.4426 13.4426 13.5028 13.5028 13.5476 13.5476 13.6090 13.6090 14.2598 14.2598 14.2980 14.2980 15.0057 15.0057 17.7362 17.7362 17.7423 17.7423 17.8035 17.8035 17.8541 17.8541 17.9305 17.9305 18.2495 18.2495 k = 0.0000 0.0000 0.0242 ( 2125 PWs) bands (ev): 1.9485 1.9485 6.3728 6.3728 8.1576 8.1576 9.5759 9.5759 9.6134 9.6134 10.7243 10.7243 10.7994 10.7994 10.8648 10.8648 10.9786 10.9786 11.0027 11.0027 11.5323 11.5323 11.5529 11.5529 12.7578 12.7578 12.8637 12.8637 12.9898 12.9898 13.4404 13.4404 13.4427 13.4427 13.5025 13.5025 13.5471 13.5471 13.6119 13.6119 14.2575 14.2575 14.2954 14.2954 15.0114 15.0114 17.7408 17.7408 17.7472 17.7472 17.8035 17.8035 17.8553 17.8553 17.9315 17.9315 18.2411 18.2411 k = 0.0000 0.0000 0.0363 ( 2125 PWs) bands (ev): 1.9559 1.9559 6.3268 6.3268 8.1992 8.1992 9.5775 9.5775 9.6150 9.6150 10.7059 10.7059 10.7760 10.7760 10.8677 10.8677 10.9952 10.9952 11.0225 11.0225 11.5320 11.5320 11.5523 11.5523 12.7632 12.7632 12.8683 12.8683 12.9872 12.9872 13.4405 13.4405 13.4428 13.4428 13.5020 13.5020 13.5463 13.5463 13.6166 13.6166 14.2537 14.2537 14.2912 14.2912 15.0211 15.0211 17.7484 17.7484 17.7553 17.7553 17.8036 17.8036 17.8573 17.8573 17.9332 17.9332 18.2273 18.2273 k = 0.0000 0.0000 0.0485 ( 2125 PWs) bands (ev): 1.9662 1.9662 6.2660 6.2660 8.2541 8.2541 9.5798 9.5798 9.6174 9.6174 10.6833 10.6833 10.7493 10.7493 10.8707 10.8707 11.0153 11.0153 11.0453 11.0453 11.5315 11.5315 11.5515 11.5515 12.7705 12.7705 12.8745 12.8745 12.9841 12.9841 13.4405 13.4405 13.4426 13.4426 13.5012 13.5012 13.5453 13.5453 13.6229 13.6229 14.2485 14.2485 14.2853 14.2853 15.0354 15.0354 17.7590 17.7590 17.7666 17.7666 17.8037 17.8037 17.8601 17.8601 17.9355 17.9355 18.2086 18.2086 k = 0.0000 0.0000 0.0606 ( 2125 PWs) bands (ev): 1.9795 1.9795 6.1927 6.1927 8.3194 8.3194 9.5827 9.5827 9.6203 9.6203 10.6580 10.6580 10.7208 10.7208 10.8734 10.8734 11.0374 11.0374 11.0696 11.0696 11.5309 11.5309 11.5505 11.5505 12.7801 12.7801 12.8828 12.8828 12.9798 12.9798 13.4407 13.4407 13.4428 13.4428 13.5003 13.5003 13.5442 13.5442 13.6299 13.6299 14.2417 14.2417 14.2777 14.2777 15.0540 15.0540 17.7727 17.7727 17.7813 17.7813 17.8040 17.8040 17.8637 17.8637 17.9385 17.9385 18.1852 18.1852 k = 0.0000 0.0000 0.0727 ( 2137 PWs) bands (ev): 1.9958 1.9958 6.1095 6.1095 8.3931 8.3931 9.5862 9.5862 9.6238 9.6238 10.6307 10.6307 10.6911 10.6911 10.8762 10.8762 11.0606 11.0606 11.0944 11.0944 11.5301 11.5301 11.5492 11.5492 12.7915 12.7915 12.8926 12.8926 12.9746 12.9746 13.4409 13.4409 13.4429 13.4429 13.4993 13.4993 13.5429 13.5429 13.6372 13.6372 14.2333 14.2333 14.2683 14.2683 15.0776 15.0776 17.7893 17.7893 17.7989 17.7989 17.8045 17.8045 17.8681 17.8681 17.9421 17.9421 18.1577 18.1577 k = 0.0000 0.0000 0.0848 ( 2137 PWs) bands (ev): 2.0149 2.0149 6.0186 6.0186 8.4728 8.4728 9.5904 9.5904 9.6281 9.6281 10.6024 10.6024 10.6607 10.6607 10.8790 10.8790 11.0844 11.0844 11.1194 11.1194 11.5292 11.5292 11.5479 11.5479 12.8051 12.8051 12.9043 12.9043 12.9687 12.9687 13.4412 13.4412 13.4433 13.4433 13.4982 13.4982 13.5414 13.5414 13.6444 13.6444 14.2236 14.2236 14.2574 14.2574 15.1068 15.1068 17.8053 17.8053 17.8091 17.8091 17.8199 17.8199 17.8735 17.8735 17.9464 17.9464 18.1266 18.1266 k = 0.0000 0.0000 0.0969 ( 2137 PWs) bands (ev): 2.0370 2.0370 5.9215 5.9215 8.5570 8.5570 9.5953 9.5953 9.6330 9.6330 10.5732 10.5732 10.6298 10.6298 10.8819 10.8819 11.1083 11.1083 11.1441 11.1441 11.5283 11.5283 11.5464 11.5464 12.8206 12.8206 12.9176 12.9176 12.9623 12.9623 13.4415 13.4415 13.4437 13.4437 13.4969 13.4969 13.5398 13.5398 13.6509 13.6509 14.2125 14.2125 14.2449 14.2449 15.1421 15.1421 17.8065 17.8065 17.8318 17.8318 17.8437 17.8437 17.8801 17.8801 17.9515 17.9515 18.0926 18.0926 k = 0.0000 0.0000 0.1090 ( 2126 PWs) bands (ev): 2.0621 2.0621 5.8197 5.8197 8.6443 8.6443 9.6009 9.6009 9.6387 9.6387 10.5436 10.5436 10.5987 10.5987 10.8843 10.8843 11.1322 11.1322 11.1685 11.1685 11.5275 11.5275 11.5451 11.5451 12.8380 12.8380 12.9328 12.9328 12.9554 12.9554 13.4419 13.4419 13.4442 13.4442 13.4956 13.4956 13.5382 13.5382 13.6562 13.6562 14.2000 14.2000 14.2309 14.2309 15.1839 15.1839 17.8081 17.8081 17.8576 17.8576 17.8692 17.8692 17.8890 17.8890 17.9573 17.9573 18.0560 18.0560 k = 0.0000 0.0000 0.1211 ( 2126 PWs) bands (ev): 2.0900 2.0900 5.7144 5.7144 8.7336 8.7336 9.6071 9.6071 9.6450 9.6450 10.5135 10.5135 10.5673 10.5673 10.8867 10.8867 11.1556 11.1556 11.1923 11.1923 11.5264 11.5264 11.5434 11.5434 12.8571 12.8571 12.9482 12.9482 12.9492 12.9492 13.4422 13.4422 13.4448 13.4448 13.4941 13.4941 13.5362 13.5362 13.6596 13.6596 14.1861 14.1861 14.2153 14.2153 15.2328 15.2328 17.8105 17.8105 17.8864 17.8864 17.8886 17.8886 17.9081 17.9081 17.9637 17.9637 18.0176 18.0176 k = 0.0000 0.0000 0.1332 ( 2126 PWs) bands (ev): 2.1209 2.1209 5.6064 5.6064 8.8240 8.8240 9.6140 9.6140 9.6519 9.6519 10.4833 10.4833 10.5359 10.5359 10.8885 10.8885 11.1786 11.1786 11.2153 11.2153 11.5253 11.5253 11.5417 11.5417 12.8778 12.8778 12.9408 12.9408 12.9672 12.9672 13.4427 13.4427 13.4456 13.4456 13.4926 13.4926 13.5339 13.5339 13.6608 13.6608 14.1708 14.1708 14.1981 14.1981 15.2890 15.2890 17.8138 17.8138 17.8996 17.8996 17.9181 17.9181 17.9396 17.9396 17.9709 17.9709 17.9777 17.9777 k = 0.0000 0.0000 0.1454 ( 2126 PWs) bands (ev): 2.1546 2.1546 5.4966 5.4966 8.9149 8.9149 9.6215 9.6215 9.6596 9.6596 10.4529 10.4529 10.5045 10.5045 10.8897 10.8897 11.2009 11.2009 11.2375 11.2375 11.5241 11.5241 11.5399 11.5399 12.9001 12.9001 12.9336 12.9336 12.9865 12.9865 13.4431 13.4431 13.4465 13.4465 13.4911 13.4911 13.5314 13.5314 13.6596 13.6596 14.1542 14.1542 14.1795 14.1795 15.3527 15.3527 17.8182 17.8182 17.9095 17.9095 17.9368 17.9368 17.9528 17.9528 17.9762 17.9762 17.9788 17.9788 k = 0.0000 0.0000 0.1575 ( 2126 PWs) bands (ev): 2.1912 2.1912 5.3854 5.3854 9.0057 9.0057 9.6297 9.6297 9.6679 9.6679 10.4226 10.4226 10.4733 10.4733 10.8899 10.8899 11.2227 11.2227 11.2591 11.2591 11.5228 11.5228 11.5380 11.5380 12.9238 12.9238 12.9267 12.9267 13.0070 13.0070 13.4436 13.4436 13.4476 13.4476 13.4897 13.4897 13.5284 13.5284 13.6552 13.6552 14.1364 14.1364 14.1594 14.1594 15.4239 15.4239 17.8239 17.8239 17.8953 17.8953 17.9200 17.9200 17.9875 17.9875 17.9904 17.9904 18.0162 18.0162 k = 0.0000 0.0000 0.1696 ( 2126 PWs) bands (ev): 2.2307 2.2307 5.2734 5.2734 9.0959 9.0959 9.6386 9.6386 9.6769 9.6769 10.3924 10.3924 10.4422 10.4422 10.8889 10.8889 11.2436 11.2436 11.2796 11.2796 11.5215 11.5215 11.5362 11.5362 12.9203 12.9203 12.9490 12.9490 13.0288 13.0288 13.4441 13.4441 13.4488 13.4488 13.4882 13.4882 13.5248 13.5248 13.6486 13.6486 14.1173 14.1173 14.1379 14.1379 15.5026 15.5026 17.8313 17.8313 17.8536 17.8536 17.9313 17.9313 17.9969 17.9969 18.0308 18.0308 18.0596 18.0596 k = 0.0000 0.0000 0.1817 ( 2126 PWs) bands (ev): 2.2730 2.2730 5.1610 5.1610 9.1854 9.1854 9.6481 9.6481 9.6866 9.6866 10.3623 10.3623 10.4113 10.4113 10.8866 10.8866 11.2637 11.2637 11.2992 11.2992 11.5201 11.5201 11.5344 11.5344 12.9147 12.9147 12.9755 12.9755 13.0518 13.0518 13.4446 13.4446 13.4501 13.4501 13.4868 13.4868 13.5205 13.5205 13.6395 13.6395 14.0970 14.0970 14.1151 14.1151 15.5884 15.5884 17.8120 17.8120 17.8406 17.8406 17.9433 17.9433 18.0072 18.0072 18.0740 18.0740 18.1060 18.1060 k = 0.0000 0.0000 0.1938 ( 2132 PWs) bands (ev): 2.3182 2.3182 5.0486 5.0486 9.2735 9.2735 9.6584 9.6584 9.6970 9.6970 10.3325 10.3325 10.3807 10.3807 10.8824 10.8824 11.2830 11.2830 11.3178 11.3178 11.5187 11.5187 11.5325 11.5325 12.9096 12.9096 13.0031 13.0031 13.0757 13.0757 13.4450 13.4450 13.4516 13.4516 13.4855 13.4855 13.5150 13.5150 13.6281 13.6281 14.0756 14.0756 14.0909 14.0909 15.6809 15.6809 17.7707 17.7707 17.8523 17.8523 17.9563 17.9563 18.0182 18.0182 18.1198 18.1198 18.1556 18.1556 k = 0.0000 0.0000 0.2059 ( 2132 PWs) bands (ev): 2.3662 2.3662 4.9365 4.9365 9.3604 9.3604 9.6692 9.6692 9.7082 9.7082 10.3029 10.3029 10.3504 10.3504 10.8764 10.8764 11.3014 11.3014 11.3354 11.3354 11.5172 11.5172 11.5307 11.5307 12.9063 12.9063 13.0319 13.0319 13.1005 13.1005 13.4454 13.4454 13.4532 13.4532 13.4846 13.4846 13.5082 13.5082 13.6154 13.6154 14.0530 14.0530 14.0656 14.0656 15.7793 15.7793 17.7299 17.7299 17.8671 17.8671 17.9702 17.9702 18.0301 18.0301 18.1682 18.1682 18.2082 18.2082 k = 0.0000 0.0000 0.2180 ( 2132 PWs) bands (ev): 2.4169 2.4169 4.8249 4.8249 9.4458 9.4458 9.6808 9.6808 9.7201 9.7201 10.2737 10.2737 10.3205 10.3205 10.8682 10.8682 11.3189 11.3189 11.3521 11.3521 11.5157 11.5157 11.5288 11.5288 12.9045 12.9045 13.0616 13.0616 13.1261 13.1261 13.4457 13.4457 13.4550 13.4550 13.4839 13.4839 13.4992 13.4992 13.6019 13.6019 14.0295 14.0295 14.0390 14.0390 15.8830 15.8830 17.6897 17.6897 17.8855 17.8855 17.9850 17.9850 18.0428 18.0428 18.2188 18.2188 18.2638 18.2638 k = 0.0000 0.0000 0.2302 ( 2120 PWs) bands (ev): 2.4705 2.4705 4.7140 4.7140 9.5294 9.5294 9.6931 9.6931 9.7328 9.7328 10.2448 10.2448 10.2910 10.2910 10.8579 10.8579 11.3355 11.3355 11.3678 11.3678 11.5141 11.5141 11.5270 11.5270 12.9045 12.9045 13.0923 13.0923 13.1525 13.1525 13.4459 13.4459 13.4572 13.4572 13.4839 13.4839 13.4874 13.4874 13.5887 13.5887 14.0052 14.0052 14.0115 14.0115 15.9910 15.9910 17.6504 17.6504 17.9083 17.9083 18.0007 18.0007 18.0565 18.0565 18.2712 18.2712 18.3221 18.3221 k = 0.0000 0.0000 0.2423 ( 2108 PWs) bands (ev): 2.5268 2.5268 4.6040 4.6040 9.6109 9.6109 9.7061 9.7061 9.7467 9.7467 10.2164 10.2164 10.2619 10.2619 10.8446 10.8446 11.3515 11.3515 11.3828 11.3828 11.5125 11.5125 11.5253 11.5253 12.9064 12.9064 13.1235 13.1235 13.1793 13.1793 13.4460 13.4460 13.4595 13.4595 13.4723 13.4723 13.4844 13.4844 13.5769 13.5769 13.9798 13.9798 13.9828 13.9828 16.1019 16.1019 17.6118 17.6118 17.9361 17.9361 18.0175 18.0175 18.0711 18.0711 18.3244 18.3244 18.3831 18.3831 k = 0.0000 0.0000 0.2544 ( 2108 PWs) bands (ev): 2.5858 2.5858 4.4952 4.4952 9.6893 9.6893 9.7197 9.7197 9.7625 9.7625 10.1883 10.1883 10.2333 10.2333 10.8284 10.8284 11.3662 11.3662 11.3965 11.3965 11.5107 11.5107 11.5234 11.5234 12.9104 12.9104 13.1550 13.1550 13.2061 13.2061 13.4456 13.4456 13.4537 13.4537 13.4617 13.4617 13.4858 13.4858 13.5667 13.5667 13.9531 13.9531 13.9535 13.9535 16.2145 16.2145 17.5741 17.5741 17.9701 17.9701 18.0352 18.0352 18.0870 18.0870 18.3766 18.3766 18.4458 18.4458 k = 0.0000 0.0000 0.2665 ( 2108 PWs) bands (ev): 2.6475 2.6475 4.3876 4.3876 9.7340 9.7340 9.7551 9.7551 9.7897 9.7897 10.1607 10.1607 10.2052 10.2052 10.8092 10.8092 11.3801 11.3801 11.4093 11.4093 11.5087 11.5087 11.5215 11.5215 12.9168 12.9168 13.1865 13.1865 13.2329 13.2329 13.4320 13.4320 13.4448 13.4448 13.4640 13.4640 13.4883 13.4883 13.5585 13.5585 13.9225 13.9225 13.9265 13.9265 16.3273 16.3273 17.5371 17.5371 18.0111 18.0111 18.0540 18.0540 18.1044 18.1044 18.4241 18.4241 18.5081 18.5081 k = 0.0000 0.0000 0.2786 ( 2096 PWs) bands (ev): 2.7119 2.7119 4.2814 4.2814 9.7492 9.7492 9.7834 9.7834 9.8532 9.8532 10.1336 10.1336 10.1776 10.1776 10.7867 10.7867 11.3933 11.3933 11.4214 11.4214 11.5068 11.5068 11.5197 11.5197 12.9255 12.9255 13.2173 13.2173 13.2594 13.2594 13.4086 13.4086 13.4437 13.4437 13.4664 13.4664 13.4921 13.4921 13.5520 13.5520 13.8911 13.8911 13.8987 13.8987 16.4384 16.4384 17.5008 17.5008 18.0590 18.0590 18.0737 18.0737 18.1249 18.1249 18.4594 18.4594 18.5561 18.5561 k = 0.0000 0.0000 0.2907 ( 2096 PWs) bands (ev): 2.7790 2.7790 4.1768 4.1768 9.7649 9.7649 9.8014 9.8014 9.9255 9.9255 10.1070 10.1070 10.1505 10.1505 10.7610 10.7610 11.4054 11.4054 11.4323 11.4323 11.5044 11.5044 11.5176 11.5176 12.9367 12.9367 13.2456 13.2456 13.2851 13.2851 13.3856 13.3856 13.4421 13.4421 13.4688 13.4688 13.4975 13.4975 13.5468 13.5468 13.8589 13.8589 13.8704 13.8704 16.5461 16.5461 17.4650 17.4650 18.0945 18.0945 18.1079 18.1079 18.1558 18.1558 18.4742 18.4742 18.5545 18.5545 k = 0.0000 0.0000 0.3028 ( 2096 PWs) bands (ev): 2.8486 2.8486 4.0738 4.0738 9.7813 9.7813 9.8188 9.8188 9.9971 9.9971 10.0810 10.0810 10.1240 10.1240 10.7319 10.7319 11.4165 11.4165 11.4423 11.4423 11.5018 11.5018 11.5153 11.5153 12.9504 12.9504 13.2664 13.2664 13.3095 13.3095 13.3684 13.3684 13.4402 13.4402 13.4713 13.4713 13.5050 13.5050 13.5428 13.5428 13.8261 13.8261 13.8415 13.8415 16.6488 16.6488 17.4296 17.4296 18.1164 18.1164 18.1418 18.1418 18.2147 18.2147 18.4694 18.4694 18.5262 18.5262 k = 0.0000 0.0000 0.3150 ( 2096 PWs) bands (ev): 2.9209 2.9209 3.9725 3.9725 9.7983 9.7983 9.8364 9.8364 10.0555 10.0555 10.0668 10.0668 10.0980 10.0980 10.6994 10.6994 11.4268 11.4268 11.4515 11.4515 11.4989 11.4989 11.5128 11.5128 12.9666 12.9666 13.2695 13.2695 13.3320 13.3320 13.3677 13.3677 13.4379 13.4379 13.4737 13.4737 13.5150 13.5150 13.5399 13.5399 13.7928 13.7928 13.8122 13.8122 16.7447 16.7447 17.3942 17.3942 18.1393 18.1393 18.1658 18.1658 18.2977 18.2977 18.4528 18.4528 18.4932 18.4932 k = 0.0000 0.0000 0.3271 ( 2084 PWs) bands (ev): 2.9956 2.9956 3.8730 3.8730 9.8161 9.8161 9.8546 9.8546 10.0306 10.0306 10.0727 10.0727 10.1343 10.1343 10.6638 10.6638 11.4366 11.4366 11.4601 11.4601 11.4957 11.4957 11.5102 11.5102 12.9857 12.9857 13.2534 13.2534 13.3523 13.3523 13.3854 13.3854 13.4353 13.4353 13.4761 13.4761 13.5279 13.5279 13.5385 13.5385 13.7592 13.7592 13.7827 13.7827 16.8328 16.8328 17.3585 17.3585 18.1633 18.1633 18.1879 18.1879 18.3975 18.3975 18.4308 18.4308 18.4594 18.4594 k = 0.0000 0.0000 0.3392 ( 2060 PWs) bands (ev): 3.0729 3.0729 3.7755 3.7755 9.8347 9.8347 9.8736 9.8736 10.0063 10.0063 10.0480 10.0480 10.1997 10.1997 10.6248 10.6248 11.4455 11.4455 11.4679 11.4679 11.4922 11.4922 11.5073 11.5073 13.0067 13.0067 13.2279 13.2279 13.3697 13.3697 13.4105 13.4105 13.4324 13.4324 13.4784 13.4784 13.5396 13.5396 13.5446 13.5446 13.7256 13.7256 13.7533 13.7533 16.9127 16.9127 17.3221 17.3221 18.1884 18.1884 18.2099 18.2099 18.4062 18.4062 18.4259 18.4259 18.5125 18.5125 k = 0.0000 0.0000 0.3513 ( 2060 PWs) bands (ev): 3.1526 3.1526 3.6800 3.6800 9.8539 9.8539 9.8931 9.8931 9.9826 9.9826 10.0239 10.0239 10.2625 10.2625 10.5822 10.5822 11.4535 11.4535 11.4748 11.4748 11.4882 11.4882 11.5040 11.5040 13.0297 13.0297 13.1988 13.1988 13.3842 13.3842 13.4287 13.4287 13.4359 13.4359 13.4801 13.4801 13.5437 13.5437 13.5640 13.5640 13.6918 13.6918 13.7237 13.7237 16.9842 16.9842 17.2843 17.2843 18.2145 18.2145 18.2325 18.2325 18.3807 18.3807 18.3929 18.3929 18.6417 18.6417 k = 0.0000 0.0000 0.3634 ( 2060 PWs) bands (ev): 3.2348 3.2348 3.5866 3.5866 9.8737 9.8737 9.9132 9.9132 9.9595 9.9595 10.0005 10.0005 10.3227 10.3227 10.5365 10.5365 11.4608 11.4608 11.4810 11.4810 11.4838 11.4838 11.5003 11.5003 13.0547 13.0547 13.1688 13.1688 13.3960 13.3960 13.4244 13.4244 13.4570 13.4570 13.4811 13.4811 13.5536 13.5536 13.5863 13.5863 13.6585 13.6585 13.6944 13.6944 17.0479 17.0479 17.2445 17.2445 18.2417 18.2417 18.2557 18.2557 18.3549 18.3549 18.3608 18.3608 18.7839 18.7839 k = 0.0000 0.0000 0.3755 ( 2060 PWs) bands (ev): 3.3193 3.3193 3.4953 3.4953 9.8942 9.8942 9.9341 9.9341 9.9371 9.9371 9.9777 9.9777 10.3803 10.3803 10.4870 10.4870 11.4676 11.4676 11.4790 11.4790 11.4868 11.4868 11.4964 11.4964 13.0815 13.0815 13.1389 13.1389 13.4054 13.4054 13.4193 13.4193 13.4709 13.4709 13.4808 13.4808 13.5715 13.5715 13.6110 13.6110 13.6264 13.6264 13.6655 13.6655 17.1047 17.1047 17.2019 17.2019 18.2699 18.2699 18.2796 18.2796 18.3293 18.3293 18.3295 18.3295 18.9376 18.9376 k = 0.0000 0.0000 0.3876 ( 2060 PWs) bands (ev): 3.4061 3.4061 3.4062 3.4062 9.9153 9.9153 9.9153 9.9153 9.9555 9.9555 9.9556 9.9556 10.4351 10.4351 10.4351 10.4351 11.4736 11.4736 11.4736 11.4736 11.4918 11.4918 11.4919 11.4919 13.1096 13.1096 13.1097 13.1097 13.4130 13.4130 13.4131 13.4131 13.4780 13.4780 13.4781 13.4781 13.5966 13.5966 13.5967 13.5967 13.6376 13.6376 13.6376 13.6376 17.1556 17.1556 17.1557 17.1557 18.2992 18.2992 18.2992 18.2992 18.3042 18.3042 18.3042 18.3042 19.1003 19.1003 k = 0.0000 0.0000 0.3876 ( 2060 PWs) bands (ev): 3.4061 3.4061 3.4062 3.4062 9.9153 9.9153 9.9153 9.9153 9.9555 9.9555 9.9556 9.9556 10.4351 10.4351 10.4351 10.4351 11.4736 11.4736 11.4736 11.4736 11.4918 11.4918 11.4919 11.4919 13.1096 13.1096 13.1097 13.1097 13.4130 13.4130 13.4131 13.4131 13.4780 13.4780 13.4781 13.4781 13.5966 13.5966 13.5967 13.5967 13.6376 13.6376 13.6376 13.6376 17.1556 17.1556 17.1557 17.1557 18.2992 18.2992 18.2992 18.2992 18.3042 18.3042 18.3042 18.3042 19.1003 19.1003 k = 0.0104 0.0060 0.3876 ( 2064 PWs) bands (ev): 3.4075 3.4075 3.4075 3.4075 9.9143 9.9143 9.9143 9.9143 9.9546 9.9546 9.9546 9.9546 10.4361 10.4361 10.4361 10.4361 11.4739 11.4739 11.4739 11.4739 11.4921 11.4921 11.4922 11.4922 13.1092 13.1092 13.1093 13.1093 13.4113 13.4113 13.4114 13.4114 13.4762 13.4762 13.4763 13.4763 13.5970 13.5970 13.5971 13.5971 13.6383 13.6383 13.6384 13.6384 17.1527 17.1527 17.1527 17.1527 18.2799 18.2799 18.2799 18.2799 18.2953 18.2953 18.2953 18.2953 19.0837 19.0837 k = 0.0208 0.0120 0.3876 ( 2074 PWs) bands (ev): 3.4115 3.4115 3.4115 3.4115 9.9106 9.9106 9.9106 9.9106 9.9526 9.9526 9.9526 9.9526 10.4391 10.4391 10.4391 10.4391 11.4747 11.4747 11.4748 11.4748 11.4930 11.4930 11.4930 11.4930 13.1080 13.1080 13.1081 13.1081 13.4063 13.4063 13.4063 13.4063 13.4710 13.4710 13.4710 13.4710 13.5983 13.5983 13.5983 13.5983 13.6405 13.6405 13.6405 13.6405 17.1436 17.1436 17.1436 17.1436 18.2337 18.2337 18.2337 18.2337 18.2614 18.2614 18.2614 18.2614 19.0518 19.0518 k = 0.0312 0.0180 0.3876 ( 2078 PWs) bands (ev): 3.4182 3.4182 3.4182 3.4182 9.9025 9.9025 9.9026 9.9026 9.9514 9.9514 9.9514 9.9514 10.4439 10.4439 10.4439 10.4439 11.4762 11.4762 11.4762 11.4762 11.4944 11.4944 11.4945 11.4945 13.1062 13.1062 13.1063 13.1063 13.3984 13.3984 13.3984 13.3984 13.4627 13.4627 13.4628 13.4628 13.6001 13.6001 13.6002 13.6002 13.6438 13.6438 13.6439 13.6439 17.1276 17.1276 17.1277 17.1277 18.1684 18.1684 18.1684 18.1684 18.2056 18.2056 18.2057 18.2057 19.0236 19.0236 k = 0.0417 0.0241 0.3876 ( 2078 PWs) bands (ev): 3.4275 3.4275 3.4276 3.4276 9.8890 9.8890 9.8890 9.8890 9.9526 9.9526 9.9526 9.9526 10.4503 10.4503 10.4503 10.4503 11.4784 11.4784 11.4784 11.4784 11.4966 11.4966 11.4966 11.4966 13.1036 13.1036 13.1037 13.1037 13.3878 13.3878 13.3879 13.3879 13.4518 13.4518 13.4519 13.4519 13.6024 13.6024 13.6024 13.6024 13.6480 13.6480 13.6480 13.6480 17.1037 17.1037 17.1037 17.1037 18.0908 18.0908 18.0908 18.0908 18.1344 18.1344 18.1345 18.1345 19.0041 19.0041 k = 0.0521 0.0301 0.3876 ( 2082 PWs) bands (ev): 3.4396 3.4396 3.4396 3.4396 9.8700 9.8700 9.8700 9.8700 9.9562 9.9562 9.9562 9.9562 10.4578 10.4578 10.4578 10.4578 11.4810 11.4810 11.4811 11.4811 11.4993 11.4993 11.4994 11.4994 13.1001 13.1001 13.1001 13.1001 13.3749 13.3749 13.3750 13.3750 13.4385 13.4385 13.4386 13.4386 13.6047 13.6047 13.6048 13.6048 13.6525 13.6525 13.6525 13.6525 17.0701 17.0701 17.0701 17.0701 18.0070 18.0070 18.0070 18.0070 18.0542 18.0542 18.0542 18.0542 18.9930 18.9930 k = 0.0625 0.0361 0.3876 ( 2086 PWs) bands (ev): 3.4543 3.4543 3.4543 3.4543 9.8463 9.8463 9.8464 9.8464 9.9619 9.9619 9.9619 9.9619 10.4662 10.4662 10.4662 10.4662 11.4843 11.4843 11.4843 11.4843 11.5027 11.5027 11.5027 11.5027 13.0956 13.0956 13.0957 13.0957 13.3601 13.3601 13.3602 13.3602 13.4233 13.4233 13.4234 13.4234 13.6068 13.6068 13.6068 13.6068 13.6569 13.6569 13.6569 13.6569 17.0250 17.0250 17.0251 17.0251 17.9216 17.9216 17.9216 17.9216 17.9709 17.9709 17.9709 17.9709 18.9885 18.9885 k = 0.0729 0.0421 0.3876 ( 2094 PWs) bands (ev): 3.4716 3.4716 3.4716 3.4716 9.8186 9.8186 9.8186 9.8186 9.9693 9.9693 9.9693 9.9693 10.4752 10.4752 10.4752 10.4752 11.4879 11.4879 11.4880 11.4880 11.5065 11.5065 11.5065 11.5065 13.0900 13.0900 13.0901 13.0901 13.3436 13.3436 13.3437 13.3437 13.4065 13.4065 13.4066 13.4066 13.6086 13.6086 13.6086 13.6086 13.6612 13.6612 13.6613 13.6613 16.9668 16.9668 16.9669 16.9669 17.8358 17.8358 17.8358 17.8358 17.8910 17.8910 17.8910 17.8910 18.9893 18.9893 k = 0.0833 0.0481 0.3876 ( 2090 PWs) bands (ev): 3.4915 3.4915 3.4916 3.4916 9.7874 9.7874 9.7874 9.7874 9.9783 9.9783 9.9783 9.9783 10.4846 10.4846 10.4846 10.4846 11.4922 11.4922 11.4922 11.4922 11.5110 11.5110 11.5111 11.5111 13.0833 13.0833 13.0833 13.0833 13.3258 13.3258 13.3259 13.3259 13.3885 13.3885 13.3885 13.3885 13.6101 13.6101 13.6101 13.6101 13.6652 13.6652 13.6652 13.6652 16.8947 16.8947 16.8947 16.8947 17.7481 17.7481 17.7481 17.7481 17.8214 17.8214 17.8214 17.8214 18.9943 18.9943 k = 0.0938 0.0541 0.3876 ( 2090 PWs) bands (ev): 3.5141 3.5141 3.5142 3.5142 9.7529 9.7529 9.7529 9.7529 9.9888 9.9888 9.9888 9.9888 10.4939 10.4939 10.4939 10.4939 11.4969 11.4969 11.4969 11.4969 11.5160 11.5160 11.5161 11.5161 13.0751 13.0751 13.0751 13.0751 13.3069 13.3069 13.3069 13.3069 13.3693 13.3693 13.3694 13.3694 13.6110 13.6110 13.6111 13.6111 13.6684 13.6684 13.6684 13.6684 16.8090 16.8090 16.8090 16.8090 17.6577 17.6577 17.6577 17.6577 17.7657 17.7657 17.7657 17.7657 19.0024 19.0024 k = 0.1042 0.0601 0.3876 ( 2092 PWs) bands (ev): 3.5393 3.5393 3.5394 3.5394 9.7155 9.7155 9.7156 9.7156 10.0006 10.0006 10.0006 10.0006 10.5030 10.5030 10.5030 10.5030 11.5018 11.5018 11.5019 11.5019 11.5214 11.5214 11.5214 11.5214 13.0654 13.0654 13.0654 13.0654 13.2870 13.2870 13.2871 13.2871 13.3494 13.3494 13.3494 13.3494 13.6115 13.6115 13.6115 13.6115 13.6709 13.6709 13.6709 13.6709 16.7113 16.7113 16.7114 16.7114 17.5661 17.5661 17.5661 17.5661 17.7233 17.7233 17.7233 17.7233 19.0132 19.0132 k = 0.1146 0.0662 0.3876 ( 2096 PWs) bands (ev): 3.5671 3.5671 3.5671 3.5671 9.6754 9.6754 9.6755 9.6755 10.0136 10.0136 10.0137 10.0137 10.5119 10.5119 10.5119 10.5119 11.5073 11.5073 11.5073 11.5073 11.5272 11.5272 11.5273 11.5273 13.0538 13.0538 13.0539 13.0539 13.2664 13.2664 13.2664 13.2664 13.3288 13.3288 13.3288 13.3288 13.6114 13.6114 13.6114 13.6114 13.6725 13.6725 13.6725 13.6725 16.6042 16.6042 16.6042 16.6042 17.4745 17.4745 17.4745 17.4745 17.6922 17.6922 17.6922 17.6922 19.0263 19.0263 k = 0.1250 0.0722 0.3876 ( 2096 PWs) bands (ev): 3.5974 3.5974 3.5975 3.5975 9.6328 9.6328 9.6328 9.6328 10.0279 10.0279 10.0280 10.0280 10.5202 10.5202 10.5202 10.5202 11.5132 11.5132 11.5132 11.5132 11.5334 11.5334 11.5335 11.5335 13.0405 13.0405 13.0406 13.0406 13.2452 13.2452 13.2452 13.2452 13.3079 13.3079 13.3079 13.3079 13.6109 13.6109 13.6109 13.6109 13.6730 13.6730 13.6730 13.6730 16.4901 16.4901 16.4902 16.4902 17.3839 17.3839 17.3839 17.3839 17.6703 17.6703 17.6703 17.6703 19.0414 19.0414 k = 0.1354 0.0782 0.3876 ( 2092 PWs) bands (ev): 3.6303 3.6303 3.6303 3.6303 9.5877 9.5877 9.5877 9.5877 10.0435 10.0435 10.0435 10.0435 10.5281 10.5281 10.5281 10.5281 11.5194 11.5194 11.5195 11.5195 11.5399 11.5399 11.5399 11.5399 13.0253 13.0253 13.0253 13.0253 13.2236 13.2236 13.2236 13.2236 13.2870 13.2870 13.2870 13.2870 13.6099 13.6099 13.6099 13.6099 13.6724 13.6724 13.6724 13.6724 16.3716 16.3716 16.3717 16.3717 17.2949 17.2949 17.2950 17.2950 17.6558 17.6558 17.6559 17.6559 19.0584 19.0584 k = 0.1458 0.0842 0.3876 ( 2088 PWs) bands (ev): 3.6657 3.6657 3.6657 3.6657 9.5403 9.5403 9.5403 9.5403 10.0603 10.0603 10.0603 10.0603 10.5353 10.5353 10.5353 10.5353 11.5259 11.5259 11.5260 11.5260 11.5465 11.5465 11.5466 11.5466 13.0079 13.0079 13.0080 13.0080 13.2015 13.2015 13.2016 13.2016 13.2660 13.2660 13.2660 13.2660 13.6085 13.6085 13.6085 13.6085 13.6707 13.6707 13.6708 13.6708 16.2507 16.2507 16.2507 16.2507 17.2079 17.2079 17.2079 17.2079 17.6473 17.6473 17.6473 17.6473 19.0771 19.0771 k = 0.1562 0.0902 0.3876 ( 2092 PWs) bands (ev): 3.7036 3.7036 3.7036 3.7036 9.4905 9.4905 9.4905 9.4905 10.0781 10.0781 10.0781 10.0781 10.5417 10.5417 10.5417 10.5417 11.5327 11.5327 11.5328 11.5328 11.5532 11.5532 11.5532 11.5532 12.9885 12.9885 12.9886 12.9886 13.1790 13.1790 13.1791 13.1791 13.2453 13.2453 13.2453 13.2453 13.6067 13.6067 13.6067 13.6067 13.6679 13.6679 13.6679 13.6679 16.1288 16.1288 16.1289 16.1289 17.1230 17.1230 17.1230 17.1230 17.6434 17.6434 17.6435 17.6435 19.0975 19.0975 k = 0.1667 0.0962 0.3876 ( 2088 PWs) bands (ev): 3.7439 3.7439 3.7440 3.7440 9.4386 9.4386 9.4386 9.4386 10.0971 10.0971 10.0971 10.0971 10.5474 10.5474 10.5474 10.5474 11.5397 11.5397 11.5398 11.5398 11.5599 11.5599 11.5600 11.5600 12.9672 12.9672 12.9673 12.9673 13.1561 13.1561 13.1561 13.1561 13.2250 13.2250 13.2251 13.2251 13.6045 13.6045 13.6046 13.6046 13.6640 13.6640 13.6640 13.6640 16.0075 16.0075 16.0075 16.0075 17.0407 17.0407 17.0407 17.0407 17.6435 17.6435 17.6435 17.6435 19.1195 19.1195 k = 0.1771 0.1022 0.3876 ( 2084 PWs) bands (ev): 3.7867 3.7867 3.7867 3.7867 9.3846 9.3846 9.3846 9.3846 10.1172 10.1172 10.1172 10.1172 10.5523 10.5523 10.5523 10.5523 11.5469 11.5469 11.5469 11.5469 11.5666 11.5666 11.5667 11.5667 12.9442 12.9442 12.9442 12.9442 13.1327 13.1327 13.1327 13.1327 13.2054 13.2054 13.2054 13.2054 13.6019 13.6019 13.6019 13.6019 13.6590 13.6590 13.6590 13.6590 15.8877 15.8877 15.8877 15.8877 16.9609 16.9609 16.9610 16.9610 17.6466 17.6466 17.6466 17.6466 19.1431 19.1431 k = 0.1875 0.1083 0.3876 ( 2088 PWs) bands (ev): 3.8318 3.8318 3.8318 3.8318 9.3282 9.3282 9.3283 9.3283 10.1382 10.1382 10.1382 10.1382 10.5562 10.5562 10.5562 10.5562 11.5539 11.5539 11.5540 11.5540 11.5733 11.5733 11.5733 11.5733 12.9196 12.9196 12.9196 12.9196 13.1088 13.1088 13.1088 13.1088 13.1864 13.1864 13.1865 13.1865 13.5986 13.5986 13.5986 13.5986 13.6531 13.6531 13.6531 13.6531 15.7701 15.7701 15.7701 15.7701 16.8840 16.8840 16.8840 16.8840 17.6522 17.6522 17.6523 17.6523 19.1683 19.1683 k = 0.1979 0.1143 0.3876 ( 2086 PWs) bands (ev): 3.8793 3.8793 3.8793 3.8793 9.2698 9.2698 9.2698 9.2698 10.1603 10.1603 10.1603 10.1603 10.5593 10.5593 10.5593 10.5593 11.5610 11.5610 11.5610 11.5610 11.5800 11.5800 11.5800 11.5800 12.8938 12.8938 12.8938 12.8938 13.0843 13.0843 13.0844 13.0844 13.1683 13.1683 13.1683 13.1683 13.5944 13.5944 13.5945 13.5945 13.6466 13.6466 13.6466 13.6466 15.6553 15.6553 15.6553 15.6553 16.8099 16.8099 16.8099 16.8099 17.6600 17.6600 17.6601 17.6601 19.1951 19.1951 k = 0.2083 0.1203 0.3876 ( 2096 PWs) bands (ev): 3.9290 3.9290 3.9290 3.9290 9.2092 9.2092 9.2092 9.2092 10.1833 10.1833 10.1833 10.1833 10.5613 10.5613 10.5613 10.5613 11.5675 11.5675 11.5675 11.5675 11.5867 11.5867 11.5867 11.5867 12.8670 12.8670 12.8670 12.8670 13.0593 13.0593 13.0593 13.0593 13.1508 13.1508 13.1509 13.1509 13.5890 13.5890 13.5890 13.5890 13.6399 13.6399 13.6399 13.6399 15.5437 15.5437 15.5437 15.5437 16.7388 16.7388 16.7388 16.7388 17.6696 17.6696 17.6697 17.6697 19.2236 19.2236 k = 0.2188 0.1263 0.3876 ( 2100 PWs) bands (ev): 3.9810 3.9810 3.9810 3.9810 9.1466 9.1466 9.1466 9.1466 10.2072 10.2072 10.2072 10.2072 10.5623 10.5623 10.5624 10.5624 11.5733 11.5733 11.5733 11.5733 11.5937 11.5937 11.5938 11.5938 12.8396 12.8396 12.8396 12.8396 13.0339 13.0339 13.0339 13.0339 13.1343 13.1343 13.1343 13.1343 13.5817 13.5817 13.5818 13.5818 13.6336 13.6336 13.6336 13.6336 15.4359 15.4359 15.4359 15.4359 16.6708 16.6708 16.6708 16.6708 17.6807 17.6807 17.6808 17.6808 19.2537 19.2537 k = 0.2292 0.1323 0.3876 ( 2096 PWs) bands (ev): 4.0351 4.0351 4.0352 4.0352 9.0819 9.0819 9.0819 9.0819 10.2320 10.2320 10.2321 10.2321 10.5625 10.5625 10.5625 10.5625 11.5783 11.5783 11.5783 11.5783 11.6013 11.6013 11.6013 11.6013 12.8120 12.8120 12.8120 12.8120 13.0081 13.0081 13.0081 13.0081 13.1187 13.1187 13.1187 13.1187 13.5725 13.5725 13.5725 13.5725 13.6282 13.6282 13.6282 13.6282 15.3319 15.3319 15.3320 15.3320 16.6058 16.6058 16.6058 16.6058 17.6931 17.6931 17.6931 17.6931 19.2855 19.2856 k = 0.2396 0.1383 0.3876 ( 2096 PWs) bands (ev): 4.0914 4.0914 4.0914 4.0914 9.0152 9.0152 9.0152 9.0152 10.2576 10.2576 10.2577 10.2577 10.5615 10.5615 10.5615 10.5615 11.5820 11.5820 11.5821 11.5821 11.6093 11.6093 11.6094 11.6094 12.7843 12.7843 12.7844 12.7844 12.9820 12.9820 12.9820 12.9820 13.1040 13.1040 13.1040 13.1040 13.5607 13.5607 13.5608 13.5608 13.6238 13.6238 13.6239 13.6239 15.2320 15.2320 15.2320 15.2320 16.5440 16.5440 16.5441 16.5441 17.7064 17.7064 17.7065 17.7065 19.3192 19.3192 k = 0.2500 0.1443 0.3876 ( 2108 PWs) bands (ev): 4.1497 4.1497 4.1497 4.1497 8.9465 8.9465 8.9465 8.9465 10.2839 10.2839 10.2839 10.2839 10.5595 10.5595 10.5595 10.5595 11.5846 11.5846 11.5846 11.5846 11.6177 11.6177 11.6177 11.6177 12.7568 12.7568 12.7568 12.7568 12.9556 12.9556 12.9556 12.9556 13.0902 13.0902 13.0903 13.0903 13.5466 13.5466 13.5467 13.5467 13.6205 13.6205 13.6206 13.6206 15.1362 15.1362 15.1362 15.1362 16.4854 16.4854 16.4854 16.4854 17.7205 17.7205 17.7205 17.7205 19.3546 19.3546 k = 0.2604 0.1504 0.3876 ( 2108 PWs) bands (ev): 4.2099 4.2099 4.2100 4.2100 8.8758 8.8758 8.8758 8.8758 10.3109 10.3109 10.3109 10.3109 10.5566 10.5566 10.5566 10.5566 11.5861 11.5861 11.5861 11.5861 11.6264 11.6264 11.6265 11.6265 12.7299 12.7299 12.7299 12.7299 12.9290 12.9290 12.9291 12.9291 13.0777 13.0777 13.0778 13.0778 13.5306 13.5306 13.5307 13.5307 13.6182 13.6182 13.6182 13.6182 15.0445 15.0445 15.0445 15.0445 16.4300 16.4300 16.4300 16.4300 17.7352 17.7352 17.7353 17.7353 19.3919 19.3919 k = 0.2708 0.1564 0.3876 ( 2108 PWs) bands (ev): 4.2720 4.2720 4.2721 4.2721 8.8033 8.8033 8.8033 8.8033 10.3384 10.3384 10.3384 10.3384 10.5527 10.5527 10.5527 10.5527 11.5865 11.5865 11.5865 11.5865 11.6354 11.6354 11.6355 11.6355 12.7037 12.7037 12.7037 12.7037 12.9024 12.9024 12.9025 12.9025 13.0666 13.0666 13.0666 13.0666 13.5129 13.5129 13.5129 13.5129 13.6165 13.6165 13.6165 13.6165 14.9570 14.9570 14.9570 14.9570 16.3777 16.3777 16.3778 16.3778 17.7504 17.7504 17.7505 17.7505 19.4312 19.4312 k = 0.2812 0.1624 0.3876 ( 2108 PWs) bands (ev): 4.3359 4.3359 4.3359 4.3359 8.7291 8.7291 8.7291 8.7291 10.3664 10.3664 10.3664 10.3664 10.5480 10.5480 10.5480 10.5480 11.5859 11.5859 11.5859 11.5859 11.6445 11.6445 11.6446 11.6446 12.6781 12.6781 12.6782 12.6782 12.8760 12.8760 12.8760 12.8760 13.0568 13.0568 13.0568 13.0568 13.4937 13.4937 13.4938 13.4938 13.6153 13.6153 13.6153 13.6153 14.8736 14.8736 14.8736 14.8736 16.3287 16.3287 16.3287 16.3287 17.7659 17.7659 17.7659 17.7659 19.4724 19.4724 k = 0.2917 0.1684 0.3876 ( 2108 PWs) bands (ev): 4.4014 4.4014 4.4014 4.4014 8.6531 8.6531 8.6531 8.6531 10.3946 10.3946 10.3946 10.3946 10.5426 10.5426 10.5426 10.5426 11.5843 11.5843 11.5844 11.5844 11.6536 11.6536 11.6536 11.6536 12.6537 12.6537 12.6537 12.6537 12.8494 12.8494 12.8495 12.8495 13.0486 13.0486 13.0486 13.0486 13.4734 13.4734 13.4734 13.4734 13.6145 13.6145 13.6145 13.6145 14.7941 14.7941 14.7942 14.7942 16.2827 16.2827 16.2827 16.2827 17.7814 17.7814 17.7815 17.7815 19.5156 19.5156 k = 0.3021 0.1744 0.3876 ( 2108 PWs) bands (ev): 4.4684 4.4684 4.4684 4.4684 8.5756 8.5756 8.5756 8.5756 10.4228 10.4228 10.4228 10.4228 10.5367 10.5367 10.5367 10.5367 11.5820 11.5820 11.5820 11.5820 11.6625 11.6625 11.6626 11.6626 12.6303 12.6303 12.6303 12.6303 12.8231 12.8231 12.8231 12.8231 13.0420 13.0420 13.0421 13.0421 13.4521 13.4521 13.4521 13.4521 13.6139 13.6139 13.6140 13.6140 14.7186 14.7186 14.7186 14.7186 16.2397 16.2397 16.2397 16.2397 17.7969 17.7969 17.7970 17.7970 19.5608 19.5608 k = 0.3125 0.1804 0.3876 ( 2106 PWs) bands (ev): 4.5367 4.5367 4.5368 4.5368 8.4967 8.4967 8.4968 8.4968 10.4503 10.4503 10.4503 10.4503 10.5310 10.5310 10.5310 10.5310 11.5789 11.5789 11.5790 11.5790 11.6713 11.6713 11.6714 11.6714 12.6080 12.6080 12.6080 12.6080 12.7970 12.7970 12.7971 12.7971 13.0373 13.0373 13.0374 13.0374 13.4300 13.4300 13.4301 13.4301 13.6137 13.6137 13.6137 13.6137 14.6468 14.6468 14.6468 14.6468 16.1997 16.1997 16.1997 16.1997 17.8123 17.8123 17.8124 17.8124 19.6081 19.6081 k = 0.3229 0.1864 0.3876 ( 2106 PWs) bands (ev): 4.6063 4.6063 4.6063 4.6063 8.4167 8.4167 8.4167 8.4167 10.4750 10.4750 10.4750 10.4750 10.5275 10.5275 10.5276 10.5276 11.5753 11.5753 11.5753 11.5753 11.6799 11.6799 11.6799 11.6799 12.5867 12.5867 12.5867 12.5867 12.7713 12.7713 12.7713 12.7713 13.0344 13.0344 13.0344 13.0344 13.4075 13.4075 13.4076 13.4076 13.6135 13.6135 13.6135 13.6135 14.5787 14.5787 14.5787 14.5787 16.1627 16.1627 16.1627 16.1627 17.8274 17.8274 17.8275 17.8275 19.6574 19.6574 k = 0.3333 0.1925 0.3876 ( 2106 PWs) bands (ev): 4.6768 4.6768 4.6768 4.6768 8.3357 8.3357 8.3358 8.3358 10.4899 10.4899 10.4899 10.4899 10.5334 10.5334 10.5334 10.5334 11.5712 11.5712 11.5712 11.5712 11.6881 11.6881 11.6881 11.6881 12.5665 12.5665 12.5665 12.5665 12.7461 12.7461 12.7462 12.7462 13.0333 13.0333 13.0334 13.0334 13.3847 13.3847 13.3848 13.3848 13.6135 13.6135 13.6135 13.6135 14.5141 14.5141 14.5141 14.5141 16.1284 16.1284 16.1284 16.1284 17.8421 17.8421 17.8422 17.8422 19.7087 19.7087 k = 0.3438 0.1985 0.3876 ( 2102 PWs) bands (ev): 4.7481 4.7481 4.7481 4.7481 8.2541 8.2541 8.2542 8.2542 10.4899 10.4899 10.4900 10.4900 10.5535 10.5535 10.5535 10.5535 11.5668 11.5668 11.5668 11.5668 11.6959 11.6959 11.6959 11.6959 12.5474 12.5474 12.5475 12.5475 12.7216 12.7216 12.7217 12.7217 13.0341 13.0341 13.0342 13.0342 13.3618 13.3618 13.3619 13.3619 13.6135 13.6135 13.6136 13.6136 14.4529 14.4529 14.4529 14.4529 16.0969 16.0969 16.0969 16.0969 17.8564 17.8564 17.8564 17.8564 19.7620 19.7620 k = 0.3542 0.2045 0.3876 ( 2102 PWs) bands (ev): 4.8198 4.8198 4.8199 4.8199 8.1722 8.1722 8.1722 8.1722 10.4835 10.4835 10.4835 10.4835 10.5795 10.5795 10.5795 10.5795 11.5621 11.5621 11.5621 11.5621 11.7032 11.7032 11.7032 11.7032 12.5294 12.5294 12.5294 12.5294 12.6978 12.6978 12.6978 12.6978 13.0367 13.0367 13.0368 13.0368 13.3391 13.3391 13.3392 13.3392 13.6137 13.6137 13.6138 13.6138 14.3951 14.3951 14.3952 14.3952 16.0680 16.0680 16.0680 16.0680 17.8700 17.8700 17.8700 17.8700 19.8172 19.8173 k = 0.3646 0.2105 0.3876 ( 2110 PWs) bands (ev): 4.8918 4.8918 4.8918 4.8918 8.0902 8.0902 8.0902 8.0902 10.4751 10.4751 10.4751 10.4751 10.6068 10.6068 10.6069 10.6069 11.5571 11.5571 11.5571 11.5571 11.7099 11.7099 11.7099 11.7099 12.5123 12.5123 12.5123 12.5123 12.6749 12.6749 12.6749 12.6749 13.0409 13.0409 13.0409 13.0409 13.3167 13.3167 13.3168 13.3168 13.6138 13.6138 13.6139 13.6139 14.3406 14.3406 14.3406 14.3406 16.0416 16.0416 16.0416 16.0416 17.8829 17.8829 17.8830 17.8830 19.8743 19.8743 k = 0.3750 0.2165 0.3876 ( 2108 PWs) bands (ev): 4.9635 4.9635 4.9635 4.9635 8.0088 8.0088 8.0088 8.0088 10.4661 10.4661 10.4661 10.4661 10.6342 10.6342 10.6342 10.6342 11.5524 11.5524 11.5524 11.5524 11.7160 11.7160 11.7161 11.7161 12.4965 12.4965 12.4965 12.4965 12.6531 12.6531 12.6531 12.6531 13.0466 13.0466 13.0467 13.0467 13.2951 13.2951 13.2952 13.2952 13.6140 13.6140 13.6140 13.6140 14.2892 14.2892 14.2893 14.2893 16.0176 16.0176 16.0177 16.0177 17.8952 17.8952 17.8953 17.8953 19.9331 19.9331 k = 0.3854 0.2225 0.3876 ( 2106 PWs) bands (ev): 5.0346 5.0346 5.0346 5.0346 7.9284 7.9284 7.9284 7.9284 10.4569 10.4569 10.4569 10.4569 10.6610 10.6610 10.6610 10.6610 11.5478 11.5478 11.5478 11.5478 11.7216 11.7216 11.7217 11.7217 12.4816 12.4816 12.4816 12.4816 12.6325 12.6325 12.6325 12.6325 13.0536 13.0536 13.0537 13.0537 13.2744 13.2744 13.2744 13.2744 13.6141 13.6141 13.6142 13.6142 14.2410 14.2410 14.2411 14.2411 15.9960 15.9960 15.9961 15.9961 17.9066 17.9066 17.9067 17.9067 19.9934 19.9934 k = 0.3958 0.2285 0.3876 ( 2098 PWs) bands (ev): 5.1045 5.1045 5.1045 5.1045 7.8496 7.8496 7.8496 7.8496 10.4478 10.4478 10.4478 10.4478 10.6869 10.6869 10.6869 10.6869 11.5434 11.5434 11.5435 11.5435 11.7264 11.7264 11.7264 11.7264 12.4679 12.4679 12.4679 12.4679 12.6133 12.6133 12.6133 12.6133 13.0618 13.0618 13.0619 13.0619 13.2549 13.2549 13.2550 13.2550 13.6143 13.6143 13.6144 13.6144 14.1962 14.1962 14.1963 14.1963 15.9767 15.9767 15.9767 15.9767 17.9172 17.9172 17.9173 17.9173 20.0551 20.0552 k = 0.4062 0.2345 0.3876 ( 2098 PWs) bands (ev): 5.1726 5.1726 5.1726 5.1726 7.7731 7.7731 7.7731 7.7731 10.4390 10.4390 10.4390 10.4390 10.7116 10.7116 10.7116 10.7116 11.5393 11.5393 11.5393 11.5393 11.7304 11.7304 11.7304 11.7304 12.4552 12.4552 12.4553 12.4553 12.5955 12.5955 12.5956 12.5956 13.0705 13.0705 13.0706 13.0706 13.2366 13.2366 13.2367 13.2367 13.6143 13.6143 13.6144 13.6144 14.1547 14.1547 14.1548 14.1548 15.9594 15.9594 15.9595 15.9595 17.9269 17.9269 17.9270 17.9270 20.1179 20.1179 k = 0.4167 0.2406 0.3876 ( 2100 PWs) bands (ev): 5.2382 5.2382 5.2382 5.2382 7.6998 7.6998 7.6998 7.6998 10.4306 10.4306 10.4306 10.4306 10.7348 10.7348 10.7348 10.7348 11.5356 11.5356 11.5356 11.5356 11.7335 11.7335 11.7335 11.7335 12.4437 12.4437 12.4437 12.4437 12.5793 12.5793 12.5793 12.5793 13.0795 13.0795 13.0796 13.0796 13.2200 13.2200 13.2201 13.2201 13.6144 13.6144 13.6145 13.6145 14.1167 14.1167 14.1168 14.1168 15.9442 15.9442 15.9443 15.9443 17.9357 17.9357 17.9358 17.9358 20.1813 20.1813 k = 0.4271 0.2466 0.3876 ( 2100 PWs) bands (ev): 5.3004 5.3004 5.3004 5.3004 7.6306 7.6306 7.6306 7.6306 10.4230 10.4230 10.4230 10.4230 10.7562 10.7562 10.7562 10.7562 11.5322 11.5322 11.5322 11.5322 11.7361 11.7361 11.7361 11.7361 12.4333 12.4333 12.4334 12.4334 12.5648 12.5648 12.5649 12.5649 13.0883 13.0883 13.0883 13.0883 13.2055 13.2055 13.2055 13.2055 13.6143 13.6143 13.6144 13.6144 14.0823 14.0823 14.0824 14.0824 15.9310 15.9310 15.9311 15.9311 17.9435 17.9435 17.9436 17.9436 20.2449 20.2449 k = 0.4375 0.2526 0.3876 ( 2104 PWs) bands (ev): 5.3581 5.3581 5.3582 5.3582 7.5665 7.5665 7.5665 7.5665 10.4161 10.4161 10.4161 10.4161 10.7755 10.7755 10.7755 10.7755 11.5291 11.5291 11.5292 11.5292 11.7380 11.7380 11.7380 11.7380 12.4241 12.4241 12.4242 12.4242 12.5521 12.5521 12.5521 12.5521 13.0963 13.0963 13.0963 13.0963 13.1932 13.1932 13.1933 13.1933 13.6142 13.6142 13.6143 13.6143 14.0517 14.0517 14.0518 14.0518 15.9197 15.9197 15.9198 15.9198 17.9503 17.9503 17.9504 17.9504 20.3077 20.3078 k = 0.4479 0.2586 0.3876 ( 2108 PWs) bands (ev): 5.4103 5.4103 5.4104 5.4104 7.5089 7.5089 7.5089 7.5089 10.4101 10.4101 10.4101 10.4101 10.7924 10.7924 10.7924 10.7924 11.5264 11.5264 11.5265 11.5265 11.7393 11.7393 11.7394 11.7394 12.4163 12.4163 12.4163 12.4163 12.5412 12.5412 12.5412 12.5412 13.1029 13.1029 13.1030 13.1030 13.1836 13.1836 13.1837 13.1837 13.6141 13.6141 13.6142 13.6142 14.0252 14.0252 14.0253 14.0253 15.9103 15.9103 15.9103 15.9103 17.9561 17.9561 17.9562 17.9562 20.3688 20.3688 k = 0.4583 0.2646 0.3876 ( 2110 PWs) bands (ev): 5.4557 5.4557 5.4557 5.4557 7.4590 7.4590 7.4591 7.4591 10.4050 10.4050 10.4051 10.4051 10.8067 10.8067 10.8067 10.8067 11.5243 11.5243 11.5243 11.5243 11.7402 11.7402 11.7403 11.7403 12.4098 12.4098 12.4098 12.4098 12.5323 12.5323 12.5323 12.5323 13.1076 13.1076 13.1077 13.1077 13.1770 13.1770 13.1770 13.1770 13.6139 13.6139 13.6140 13.6140 14.0030 14.0030 14.0031 14.0031 15.9026 15.9026 15.9027 15.9027 17.9609 17.9609 17.9609 17.9609 20.4264 20.4264 k = 0.4688 0.2706 0.3876 ( 2110 PWs) bands (ev): 5.4928 5.4928 5.4928 5.4928 7.4183 7.4183 7.4183 7.4183 10.4010 10.4010 10.4011 10.4011 10.8181 10.8181 10.8181 10.8181 11.5226 11.5226 11.5226 11.5226 11.7408 11.7408 11.7409 11.7409 12.4047 12.4047 12.4047 12.4047 12.5254 12.5254 12.5254 12.5254 13.1104 13.1104 13.1104 13.1104 13.1732 13.1732 13.1733 13.1733 13.6137 13.6137 13.6138 13.6138 13.9854 13.9854 13.9855 13.9855 15.8967 15.8967 15.8968 15.8968 17.9646 17.9646 17.9647 17.9647 20.4780 20.4780 k = 0.4792 0.2766 0.3876 ( 2110 PWs) bands (ev): 5.5205 5.5205 5.5205 5.5205 7.3881 7.3881 7.3881 7.3881 10.3981 10.3981 10.3982 10.3982 10.8264 10.8264 10.8264 10.8264 11.5214 11.5214 11.5214 11.5214 11.7411 11.7411 11.7412 11.7412 12.4010 12.4010 12.4011 12.4011 12.5204 12.5204 12.5204 12.5204 13.1115 13.1115 13.1115 13.1115 13.1716 13.1716 13.1716 13.1716 13.6135 13.6135 13.6136 13.6136 13.9726 13.9726 13.9727 13.9727 15.8926 15.8926 15.8926 15.8926 17.9673 17.9673 17.9673 17.9673 20.5201 20.5201 k = 0.4896 0.2827 0.3876 ( 2114 PWs) bands (ev): 5.5376 5.5376 5.5376 5.5376 7.3694 7.3694 7.3694 7.3694 10.3964 10.3964 10.3964 10.3964 10.8315 10.8315 10.8315 10.8315 11.5206 11.5206 11.5207 11.5207 11.7412 11.7412 11.7413 11.7413 12.3987 12.3987 12.3988 12.3988 12.5174 12.5174 12.5174 12.5174 13.1117 13.1117 13.1118 13.1118 13.1711 13.1711 13.1712 13.1712 13.6134 13.6134 13.6135 13.6135 13.9648 13.9648 13.9649 13.9649 15.8900 15.8900 15.8901 15.8901 17.9689 17.9689 17.9689 17.9689 20.5483 20.5483 k = 0.5000 0.2887 0.3876 ( 2120 PWs) bands (ev): 5.5434 5.5434 5.5434 5.5434 7.3631 7.3631 7.3631 7.3631 10.3959 10.3959 10.3959 10.3959 10.8331 10.8331 10.8331 10.8331 11.5203 11.5203 11.5204 11.5204 11.7410 11.7410 11.7411 11.7411 12.3980 12.3980 12.3980 12.3980 12.5163 12.5163 12.5163 12.5163 13.1116 13.1116 13.1117 13.1117 13.1710 13.1710 13.1711 13.1711 13.6133 13.6133 13.6134 13.6134 13.9622 13.9622 13.9622 13.9622 15.8892 15.8892 15.8893 15.8893 17.9694 17.9694 17.9694 17.9694 20.5583 20.5584 k = 0.5000 0.2887 0.3876 ( 2120 PWs) bands (ev): 5.5434 5.5434 5.5434 5.5434 7.3631 7.3631 7.3631 7.3631 10.3959 10.3959 10.3959 10.3959 10.8331 10.8331 10.8331 10.8331 11.5203 11.5203 11.5204 11.5204 11.7410 11.7410 11.7411 11.7411 12.3980 12.3980 12.3980 12.3980 12.5163 12.5163 12.5163 12.5163 13.1116 13.1116 13.1117 13.1117 13.1710 13.1710 13.1711 13.1711 13.6133 13.6133 13.6134 13.6134 13.9622 13.9622 13.9622 13.9622 15.8892 15.8892 15.8893 15.8893 17.9694 17.9694 17.9694 17.9694 20.5583 20.5584 k = 0.4940 0.2990 0.3876 ( 2116 PWs) bands (ev): 5.5441 5.5441 5.5442 5.5442 7.3642 7.3642 7.3644 7.3644 10.3906 10.3906 10.3929 10.3929 10.8300 10.8300 10.8343 10.8343 11.5181 11.5181 11.5246 11.5246 11.7379 11.7379 11.7472 11.7472 12.3937 12.3937 12.3990 12.3990 12.5142 12.5142 12.5211 12.5211 13.1105 13.1105 13.1113 13.1113 13.1722 13.1722 13.1729 13.1729 13.6111 13.6111 13.6151 13.6151 13.9615 13.9615 13.9633 13.9633 15.8789 15.8789 15.8836 15.8836 17.9803 17.9803 17.9824 17.9824 20.5601 20.5601 k = 0.4881 0.3093 0.3876 ( 2116 PWs) bands (ev): 5.5463 5.5463 5.5466 5.5466 7.3679 7.3679 7.3681 7.3681 10.3774 10.3774 10.3818 10.3818 10.8250 10.8250 10.8334 10.8334 11.5177 11.5177 11.5308 11.5308 11.7372 11.7372 11.7557 11.7557 12.3867 12.3867 12.3962 12.3962 12.5149 12.5149 12.5276 12.5276 13.1081 13.1081 13.1095 13.1095 13.1760 13.1760 13.1773 13.1773 13.6081 13.6081 13.6162 13.6162 13.9610 13.9610 13.9647 13.9647 15.8533 15.8533 15.8624 15.8624 18.0145 18.0145 18.0184 18.0184 20.5657 20.5658 k = 0.4821 0.3196 0.3876 ( 2110 PWs) bands (ev): 5.5501 5.5501 5.5505 5.5505 7.3740 7.3740 7.3743 7.3743 10.3562 10.3562 10.3623 10.3623 10.8190 10.8190 10.8308 10.8308 11.5191 11.5191 11.5384 11.5384 11.7393 11.7393 11.7665 11.7665 12.3781 12.3781 12.3903 12.3903 12.5182 12.5182 12.5350 12.5350 13.1050 13.1050 13.1070 13.1070 13.1818 13.1818 13.1836 13.1836 13.6046 13.6046 13.6168 13.6168 13.9609 13.9609 13.9665 13.9665 15.8141 15.8141 15.8272 15.8272 18.0703 18.0703 18.0756 18.0756 20.5753 20.5755 k = 0.4762 0.3299 0.3876 ( 2110 PWs) bands (ev): 5.5554 5.5554 5.5559 5.5559 7.3825 7.3825 7.3830 7.3830 10.3270 10.3270 10.3343 10.3343 10.8126 10.8126 10.8271 10.8271 11.5217 11.5217 11.5471 11.5471 11.7439 11.7439 11.7791 11.7791 12.3684 12.3684 12.3817 12.3817 12.5232 12.5232 12.5424 12.5424 13.1020 13.1020 13.1045 13.1045 13.1891 13.1891 13.1911 13.1911 13.6005 13.6005 13.6168 13.6168 13.9611 13.9611 13.9683 13.9683 15.7638 15.7638 15.7804 15.7804 18.1453 18.1453 18.1516 18.1516 20.5880 20.5882 k = 0.4702 0.3402 0.3876 ( 2106 PWs) bands (ev): 5.5621 5.5621 5.5628 5.5628 7.3934 7.3934 7.3941 7.3941 10.2901 10.2901 10.2980 10.2980 10.8066 10.8066 10.8229 10.8229 11.5251 11.5251 11.5562 11.5562 11.7509 11.7509 11.7934 11.7934 12.3584 12.3584 12.3716 12.3716 12.5294 12.5294 12.5495 12.5495 13.0997 13.0997 13.1025 13.1025 13.1975 13.1975 13.1993 13.1993 13.5958 13.5958 13.6161 13.6161 13.9615 13.9615 13.9703 13.9703 15.7048 15.7048 15.7245 15.7245 18.2367 18.2367 18.2434 18.2434 20.6050 20.6056 k = 0.4643 0.3505 0.3876 ( 2102 PWs) bands (ev): 5.5704 5.5704 5.5712 5.5712 7.4067 7.4067 7.4076 7.4076 10.2456 10.2456 10.2538 10.2538 10.8015 10.8015 10.8189 10.8189 11.5291 11.5291 11.5652 11.5652 11.7600 11.7600 11.8089 11.8089 12.3485 12.3485 12.3605 12.3605 12.5358 12.5358 12.5558 12.5558 13.0985 13.0985 13.1014 13.1014 13.2065 13.2065 13.2078 13.2078 13.5905 13.5905 13.6151 13.6151 13.9621 13.9621 13.9724 13.9724 15.6395 15.6395 15.6619 15.6619 18.3417 18.3417 18.3482 18.3482 20.6259 20.6261 k = 0.4583 0.3608 0.3876 ( 2102 PWs) bands (ev): 5.5800 5.5800 5.5809 5.5809 7.4224 7.4224 7.4234 7.4234 10.1941 10.1941 10.2021 10.2021 10.7976 10.7976 10.8154 10.8154 11.5332 11.5332 11.5738 11.5738 11.7708 11.7708 11.8249 11.8249 12.3390 12.3390 12.3489 12.3489 12.5422 12.5422 12.5608 12.5608 13.0986 13.0986 13.1013 13.1013 13.2160 13.2160 13.2165 13.2165 13.5846 13.5846 13.6134 13.6134 13.9627 13.9627 13.9743 13.9743 15.5701 15.5701 15.5947 15.5947 18.4576 18.4576 18.4635 18.4635 20.6506 20.6506 k = 0.4524 0.3712 0.3876 ( 2106 PWs) bands (ev): 5.5910 5.5910 5.5920 5.5920 7.4405 7.4405 7.4416 7.4416 10.1361 10.1361 10.1437 10.1437 10.7949 10.7949 10.8126 10.8126 11.5372 11.5372 11.5818 11.5818 11.7827 11.7827 11.8411 11.8411 12.3302 12.3302 12.3374 12.3374 12.5482 12.5482 12.5645 12.5645 13.1002 13.1002 13.1023 13.1023 13.2253 13.2253 13.2260 13.2260 13.5780 13.5780 13.6112 13.6112 13.9632 13.9632 13.9760 13.9760 15.4984 15.4984 15.5248 15.5248 18.5821 18.5821 18.5870 18.5870 20.6794 20.6794 k = 0.4464 0.3815 0.3876 ( 2102 PWs) bands (ev): 5.6033 5.6033 5.6044 5.6044 7.4608 7.4608 7.4621 7.4621 10.0724 10.0724 10.0793 10.0793 10.7934 10.7934 10.8108 10.8108 11.5413 11.5413 11.5893 11.5893 11.7954 11.7954 11.8570 11.8570 12.3225 12.3225 12.3263 12.3263 12.5537 12.5537 12.5670 12.5670 13.1033 13.1033 13.1047 13.1047 13.2340 13.2340 13.2363 13.2363 13.5710 13.5710 13.6085 13.6085 13.9636 13.9636 13.9773 13.9773 15.4260 15.4260 15.4539 15.4539 18.7129 18.7129 18.7163 18.7163 20.7123 20.7125 k = 0.4405 0.3918 0.3876 ( 2098 PWs) bands (ev): 5.6168 5.6168 5.6181 5.6181 7.4833 7.4833 7.4848 7.4848 10.0034 10.0034 10.0097 10.0097 10.7931 10.7931 10.8098 10.8098 11.5451 11.5451 11.5963 11.5963 11.8083 11.8083 11.8723 11.8723 12.3156 12.3156 12.3161 12.3161 12.5587 12.5587 12.5681 12.5681 13.1079 13.1079 13.1082 13.1082 13.2427 13.2427 13.2471 13.2471 13.5636 13.5636 13.6055 13.6055 13.9636 13.9636 13.9781 13.9781 15.3538 15.3538 15.3831 15.3831 18.8480 18.8480 18.8497 18.8497 20.7490 20.7492 k = 0.4345 0.4021 0.3876 ( 2098 PWs) bands (ev): 5.6315 5.6315 5.6329 5.6329 7.5080 7.5080 7.5097 7.5097 9.9301 9.9301 9.9358 9.9358 10.7938 10.7938 10.8097 10.8097 11.5486 11.5486 11.6026 11.6026 11.8207 11.8207 11.8864 11.8864 12.3057 12.3057 12.3110 12.3110 12.5629 12.5629 12.5678 12.5678 13.1130 13.1130 13.1140 13.1140 13.2513 13.2513 13.2582 13.2582 13.5556 13.5556 13.6020 13.6020 13.9630 13.9630 13.9781 13.9781 15.2830 15.2830 15.3134 15.3134 18.9851 18.9851 18.9854 18.9854 20.7893 20.7894 k = 0.4286 0.4124 0.3876 ( 2094 PWs) bands (ev): 5.6473 5.6473 5.6488 5.6488 7.5347 7.5347 7.5367 7.5367 9.8530 9.8530 9.8581 9.8581 10.7954 10.7954 10.8103 10.8103 11.5519 11.5519 11.6086 11.6086 11.8325 11.8325 11.8992 11.8992 12.2965 12.2965 12.3075 12.3075 12.5664 12.5664 12.5666 12.5666 13.1188 13.1188 13.1213 13.1213 13.2602 13.2602 13.2699 13.2699 13.5474 13.5474 13.5983 13.5983 13.9616 13.9616 13.9770 13.9770 15.2144 15.2144 15.2457 15.2457 19.1207 19.1207 19.1234 19.1234 20.8324 20.8333 k = 0.4226 0.4227 0.3876 ( 2098 PWs) bands (ev): 5.6640 5.6640 5.6656 5.6656 7.5635 7.5635 7.5657 7.5657 9.7728 9.7728 9.7775 9.7775 10.7976 10.7976 10.8116 10.8116 11.5548 11.5548 11.6141 11.6141 11.8432 11.8432 11.9104 11.9104 12.2880 12.2880 12.3053 12.3053 12.5638 12.5638 12.5697 12.5697 13.1253 13.1253 13.1294 13.1294 13.2693 13.2693 13.2823 13.2823 13.5390 13.5390 13.5943 13.5943 13.9591 13.9591 13.9747 13.9747 15.1486 15.1486 15.1807 15.1807 19.2548 19.2548 19.2600 19.2600 20.8774 20.8775 k = 0.4167 0.4330 0.3876 ( 2100 PWs) bands (ev): 5.6816 5.6816 5.6833 5.6833 7.5941 7.5941 7.5966 7.5966 9.6903 9.6903 9.6946 9.6946 10.8004 10.8004 10.8135 10.8135 11.5574 11.5574 11.6193 11.6193 11.8528 11.8528 11.9201 11.9201 12.2803 12.2803 12.3043 12.3043 12.5604 12.5604 12.5723 12.5723 13.1323 13.1323 13.1382 13.1382 13.2789 13.2789 13.2954 13.2954 13.5304 13.5304 13.5901 13.5901 13.9553 13.9553 13.9708 13.9708 15.0863 15.0863 15.1190 15.1190 19.3858 19.3858 19.3936 19.3936 20.9207 20.9219 k = 0.4107 0.4433 0.3876 ( 2096 PWs) bands (ev): 5.6999 5.6999 5.7016 5.7016 7.6264 7.6264 7.6292 7.6292 9.6061 9.6061 9.6101 9.6101 10.8036 10.8036 10.8158 10.8158 11.5597 11.5597 11.6242 11.6242 11.8613 11.8613 11.9284 11.9284 12.2734 12.2734 12.3046 12.3046 12.5565 12.5565 12.5747 12.5747 13.1396 13.1396 13.1474 13.1474 13.2893 13.2893 13.3094 13.3094 13.5220 13.5220 13.5859 13.5859 13.9500 13.9500 13.9651 13.9651 15.0278 15.0278 15.0611 15.0611 19.5121 19.5121 19.5224 19.5224 20.9611 20.9637 k = 0.4048 0.4536 0.3876 ( 2102 PWs) bands (ev): 5.7187 5.7187 5.7205 5.7205 7.6602 7.6602 7.6633 7.6633 9.5208 9.5208 9.5247 9.5247 10.8072 10.8072 10.8185 10.8185 11.5617 11.5617 11.6288 11.6288 11.8686 11.8686 11.9352 11.9352 12.2671 12.2671 12.3059 12.3059 12.5521 12.5521 12.5767 12.5767 13.1467 13.1467 13.1564 13.1564 13.3008 13.3008 13.3243 13.3243 13.5138 13.5138 13.5817 13.5817 13.9427 13.9427 13.9572 13.9572 14.9735 14.9735 15.0072 15.0072 19.6322 19.6322 19.6451 19.6451 20.9959 20.9959 k = 0.3988 0.4639 0.3876 ( 2106 PWs) bands (ev): 5.7379 5.7379 5.7398 5.7398 7.6953 7.6953 7.6988 7.6988 9.4353 9.4353 9.4392 9.4392 10.8110 10.8110 10.8215 10.8215 11.5633 11.5633 11.6330 11.6330 11.8747 11.8747 11.9409 11.9409 12.2614 12.2614 12.3077 12.3077 12.5474 12.5474 12.5785 12.5785 13.1532 13.1532 13.1651 13.1651 13.3135 13.3135 13.3403 13.3403 13.5062 13.5062 13.5775 13.5775 13.9334 13.9334 13.9469 13.9469 14.9239 14.9239 14.9580 14.9580 19.7453 19.7453 19.7604 19.7604 21.0245 21.0245 k = 0.3929 0.4743 0.3876 ( 2098 PWs) bands (ev): 5.7572 5.7572 5.7592 5.7592 7.7314 7.7314 7.7354 7.7354 9.3504 9.3504 9.3543 9.3543 10.8151 10.8151 10.8247 10.8247 11.5646 11.5646 11.6369 11.6369 11.8800 11.8800 11.9458 11.9458 12.2562 12.2562 12.3101 12.3101 12.5428 12.5428 12.5802 12.5802 13.1591 13.1591 13.1734 13.1734 13.3279 13.3279 13.3573 13.3573 13.4996 13.4996 13.5736 13.5736 13.9218 13.9218 13.9340 13.9340 14.8793 14.8793 14.9137 14.9137 19.8505 19.8505 19.8675 19.8675 21.0459 21.0459 k = 0.3869 0.4846 0.3876 ( 2098 PWs) bands (ev): 5.7765 5.7765 5.7785 5.7785 7.7681 7.7681 7.7726 7.7726 9.2668 9.2668 9.2709 9.2709 10.8191 10.8191 10.8280 10.8280 11.5656 11.5656 11.6405 11.6405 11.8843 11.8843 11.9498 11.9498 12.2515 12.2515 12.3125 12.3125 12.5381 12.5381 12.5817 12.5817 13.1640 13.1640 13.1807 13.1807 13.3440 13.3440 13.3749 13.3749 13.4945 13.4945 13.5698 13.5698 13.9079 13.9079 13.9183 13.9183 14.8397 14.8397 14.8743 14.8743 19.9474 19.9474 19.9660 19.9660 21.0601 21.0601 k = 0.3810 0.4949 0.3876 ( 2094 PWs) bands (ev): 5.7954 5.7954 5.7975 5.7975 7.8050 7.8050 7.8100 7.8100 9.1856 9.1856 9.1900 9.1900 10.8231 10.8231 10.8313 10.8313 11.5663 11.5663 11.6437 11.6437 11.8880 11.8880 11.9532 11.9532 12.2472 12.2472 12.3150 12.3150 12.5337 12.5337 12.5830 12.5830 13.1678 13.1678 13.1871 13.1871 13.3617 13.3617 13.3922 13.3922 13.4921 13.4921 13.5663 13.5663 13.8916 13.8916 13.8997 13.8997 14.8053 14.8053 14.8400 14.8400 20.0360 20.0360 20.0557 20.0557 21.0676 21.0676 k = 0.3750 0.5052 0.3876 ( 2094 PWs) bands (ev): 5.8137 5.8137 5.8158 5.8158 7.8414 7.8414 7.8471 7.8471 9.1078 9.1078 9.1127 9.1127 10.8270 10.8270 10.8345 10.8345 11.5668 11.5668 11.6465 11.6465 11.8911 11.8911 11.9561 11.9561 12.2431 12.2431 12.3171 12.3171 12.5295 12.5295 12.5840 12.5840 13.1708 13.1708 13.1925 13.1925 13.3808 13.3808 13.4074 13.4074 13.4940 13.4940 13.5630 13.5630 13.8732 13.8732 13.8784 13.8784 14.7759 14.7759 14.8108 14.8108 20.1162 20.1162 20.1365 20.1365 21.0691 21.0691 k = 0.3690 0.5155 0.3876 ( 2090 PWs) bands (ev): 5.8310 5.8310 5.8332 5.8332 7.8766 7.8766 7.8829 7.8829 9.0349 9.0349 9.0402 9.0402 10.8306 10.8306 10.8375 10.8375 11.5671 11.5671 11.6490 11.6490 11.8938 11.8938 11.9588 11.9588 12.2394 12.2394 12.3189 12.3189 12.5257 12.5257 12.5848 12.5848 13.1729 13.1729 13.1969 13.1969 13.4011 13.4011 13.4186 13.4186 13.5024 13.5024 13.5600 13.5600 13.8531 13.8531 13.8543 13.8543 14.7515 14.7515 14.7865 14.7865 20.1881 20.1881 20.2087 20.2087 21.0653 21.0653 k = 0.3631 0.5258 0.3876 ( 2094 PWs) bands (ev): 5.8470 5.8470 5.8491 5.8491 7.9095 7.9095 7.9165 7.9165 8.9682 8.9682 8.9742 8.9742 10.8339 10.8339 10.8403 10.8403 11.5671 11.5671 11.6509 11.6509 11.8960 11.8960 11.9611 11.9611 12.2361 12.2361 12.3203 12.3203 12.5221 12.5221 12.5852 12.5852 13.1743 13.1743 13.2003 13.2003 13.4220 13.4220 13.4248 13.4248 13.5182 13.5182 13.5572 13.5572 13.8277 13.8277 13.8317 13.8317 14.7318 14.7318 14.7668 14.7668 20.2516 20.2516 20.2721 20.2721 21.0573 21.0573 k = 0.3571 0.5361 0.3876 ( 2094 PWs) bands (ev): 5.8611 5.8611 5.8633 5.8633 7.9389 7.9389 7.9467 7.9467 8.9098 8.9098 8.9164 8.9164 10.8368 10.8368 10.8427 10.8427 11.5670 11.5670 11.6525 11.6525 11.8980 11.8980 11.9632 11.9632 12.2332 12.2332 12.3213 12.3213 12.5191 12.5191 12.5855 12.5855 13.1751 13.1751 13.2028 13.2028 13.4272 13.4272 13.4429 13.4429 13.5400 13.5400 13.5546 13.5546 13.7991 13.7991 13.8102 13.8102 14.7165 14.7165 14.7515 14.7515 20.3064 20.3064 20.3265 20.3265 21.0463 21.0463 k = 0.3512 0.5464 0.3876 ( 2094 PWs) bands (ev): 5.8730 5.8730 5.8753 5.8753 7.9634 7.9634 7.9720 7.9720 8.8615 8.8615 8.8688 8.8688 10.8392 10.8392 10.8448 10.8448 11.5668 11.5668 11.6537 11.6537 11.8996 11.8996 11.9650 11.9650 12.2307 12.2307 12.3219 12.3219 12.5165 12.5165 12.5855 12.5855 13.1756 13.1756 13.2046 13.2046 13.4277 13.4277 13.4630 13.4630 13.5522 13.5522 13.5659 13.5659 13.7689 13.7689 13.7897 13.7897 14.7053 14.7053 14.7403 14.7403 20.3515 20.3515 20.3711 20.3711 21.0339 21.0339 k = 0.3452 0.5567 0.3876 ( 2094 PWs) bands (ev): 5.8822 5.8822 5.8844 5.8844 7.9817 7.9817 7.9909 7.9909 8.8254 8.8254 8.8333 8.8333 10.8410 10.8410 10.8463 10.8463 11.5667 11.5667 11.6546 11.6546 11.9008 11.9008 11.9664 11.9664 12.2289 12.2289 12.3223 12.3223 12.5144 12.5144 12.5853 12.5853 13.1759 13.1759 13.2057 13.2057 13.4276 13.4276 13.4806 13.4806 13.5497 13.5497 13.5938 13.5938 13.7380 13.7380 13.7720 13.7720 14.6978 14.6978 14.7328 14.7328 20.3857 20.3857 20.4047 20.4047 21.0221 21.0221 k = 0.3393 0.5670 0.3876 ( 2090 PWs) bands (ev): 5.8881 5.8881 5.8904 5.8904 7.9927 7.9927 8.0024 8.0024 8.8032 8.8032 8.8115 8.8115 10.8421 10.8421 10.8474 10.8474 11.5666 11.5666 11.6552 11.6552 11.9016 11.9016 11.9674 11.9674 12.2278 12.2278 12.3225 12.3225 12.5131 12.5131 12.5851 12.5851 13.1760 13.1760 13.2063 13.2063 13.4274 13.4274 13.4935 13.4935 13.5475 13.5475 13.6215 13.6215 13.7085 13.7085 13.7597 13.7597 14.6935 14.6935 14.7285 14.7285 20.4073 20.4073 20.4259 20.4259 21.0134 21.0134 k = 0.3333 0.5774 0.3876 ( 2082 PWs) bands (ev): 5.8902 5.8902 5.8925 5.8925 7.9963 7.9963 8.0061 8.0061 8.7958 8.7958 8.8042 8.8042 10.8426 10.8426 10.8477 10.8477 11.5666 11.5666 11.6554 11.6554 11.9020 11.9020 11.9678 11.9678 12.2275 12.2275 12.3227 12.3227 12.5127 12.5127 12.5850 12.5850 13.1761 13.1761 13.2065 13.2065 13.4274 13.4274 13.4985 13.4985 13.5465 13.5465 13.6376 13.6376 13.6919 13.6919 13.7552 13.7552 14.6922 14.6922 14.7272 14.7272 20.4148 20.4148 20.4332 20.4332 21.0101 21.0101 k = 0.3333 0.5774 0.3876 ( 2082 PWs) bands (ev): 5.8902 5.8902 5.8925 5.8925 7.9963 7.9963 8.0061 8.0061 8.7958 8.7958 8.8042 8.8042 10.8426 10.8426 10.8477 10.8477 11.5666 11.5666 11.6554 11.6554 11.9020 11.9020 11.9678 11.9678 12.2275 12.2275 12.3227 12.3227 12.5127 12.5127 12.5850 12.5850 13.1761 13.1761 13.2065 13.2065 13.4274 13.4274 13.4985 13.4985 13.5465 13.5465 13.6376 13.6376 13.6919 13.6919 13.7552 13.7552 14.6922 14.6922 14.7272 14.7272 20.4148 20.4148 20.4332 20.4332 21.0101 21.0101 k = 0.3273 0.5669 0.3876 ( 2094 PWs) bands (ev): 5.8878 5.8878 5.8901 5.8901 7.9931 7.9931 8.0027 8.0027 8.8032 8.8032 8.8115 8.8115 10.8421 10.8421 10.8473 10.8473 11.5665 11.5665 11.6551 11.6551 11.9016 11.9016 11.9673 11.9673 12.2278 12.2278 12.3225 12.3225 12.5132 12.5132 12.5852 12.5852 13.1760 13.1760 13.2063 13.2063 13.4274 13.4274 13.4931 13.4931 13.5475 13.5475 13.6203 13.6203 13.7097 13.7097 13.7601 13.7601 14.6934 14.6934 14.7284 14.7284 20.4069 20.4069 20.4255 20.4255 21.0139 21.0139 k = 0.3212 0.5564 0.3876 ( 2094 PWs) bands (ev): 5.8804 5.8804 5.8827 5.8827 7.9848 7.9848 7.9941 7.9941 8.8242 8.8242 8.8322 8.8322 10.8408 10.8408 10.8462 10.8462 11.5667 11.5667 11.6546 11.6546 11.9005 11.9005 11.9660 11.9660 12.2292 12.2292 12.3225 12.3225 12.5151 12.5151 12.5859 12.5859 13.1758 13.1758 13.2059 13.2059 13.4273 13.4273 13.4786 13.4786 13.5500 13.5500 13.5900 13.5900 13.7429 13.7429 13.7747 13.7747 14.6970 14.6970 14.7321 14.7321 20.3839 20.3839 20.4030 20.4030 21.0250 21.0250 k = 0.3152 0.5459 0.3876 ( 2098 PWs) bands (ev): 5.8675 5.8675 5.8697 5.8697 7.9739 7.9739 7.9826 7.9826 8.8569 8.8569 8.8644 8.8644 10.8385 10.8385 10.8441 10.8441 11.5669 11.5669 11.6537 11.6537 11.8986 11.8986 11.9636 11.9636 12.2315 12.2315 12.3225 12.3225 12.5185 12.5185 12.5873 12.5873 13.1753 13.1753 13.2052 13.2052 13.4266 13.4266 13.4583 13.4583 13.5526 13.5526 13.5584 13.5584 13.7799 13.7799 13.7972 13.7972 14.7029 14.7029 14.7379 14.7379 20.3474 20.3474 20.3671 20.3671 21.0425 21.0425 k = 0.3091 0.5354 0.3876 ( 2102 PWs) bands (ev): 5.8487 5.8487 5.8509 5.8509 7.9629 7.9629 7.9709 7.9709 8.8991 8.8991 8.9059 8.9059 10.8352 10.8352 10.8412 10.8412 11.5673 11.5673 11.6524 11.6524 11.8957 11.8957 11.9601 11.9601 12.2348 12.2348 12.3228 12.3228 12.5237 12.5237 12.5898 12.5898 13.1742 13.1742 13.2043 13.2043 13.4242 13.4242 13.4346 13.4346 13.5288 13.5288 13.5551 13.5551 13.8189 13.8189 13.8256 13.8256 14.7106 14.7106 14.7457 14.7457 20.2996 20.2996 20.3199 20.3199 21.0646 21.0646 k = 0.3030 0.5249 0.3876 ( 2102 PWs) bands (ev): 5.8238 5.8238 5.8260 5.8260 7.9537 7.9537 7.9611 7.9611 8.9487 8.9487 8.9549 8.9549 10.8309 10.8309 10.8374 10.8374 11.5677 11.5677 11.6509 11.6509 11.8919 11.8919 11.9553 11.9553 12.2392 12.2392 12.3234 12.3234 12.5308 12.5308 12.5936 12.5936 13.1722 13.1722 13.2029 13.2029 13.4099 13.4099 13.4178 13.4178 13.5046 13.5046 13.5578 13.5578 13.8585 13.8585 13.8596 13.8596 14.7201 14.7201 14.7552 14.7552 20.2428 20.2428 20.2636 20.2636 21.0893 21.0893 k = 0.2970 0.5144 0.3876 ( 2104 PWs) bands (ev): 5.7927 5.7927 5.7948 5.7948 7.9481 7.9481 7.9549 7.9549 9.0040 9.0040 9.0097 9.0097 10.8256 10.8256 10.8327 10.8327 11.5683 11.5683 11.6490 11.6490 11.8870 11.8870 11.9492 11.9492 12.2448 12.2448 12.3245 12.3245 12.5400 12.5400 12.5988 12.5988 13.1687 13.1687 13.2009 13.2009 13.3855 13.3855 13.4048 13.4048 13.4887 13.4887 13.5607 13.5607 13.8948 13.8948 13.9015 13.9015 14.7312 14.7312 14.7664 14.7664 20.1791 20.1791 20.2002 20.2002 21.1148 21.1148 k = 0.2909 0.5039 0.3876 ( 2104 PWs) bands (ev): 5.7554 5.7554 5.7575 5.7575 7.9471 7.9471 7.9532 7.9532 9.0638 9.0638 9.0690 9.0690 10.8193 10.8193 10.8270 10.8270 11.5687 11.5687 11.6467 11.6467 11.8810 11.8810 11.9417 11.9417 12.2516 12.2516 12.3263 12.3263 12.5513 12.5513 12.6057 12.6057 13.1630 13.1630 13.1977 13.1977 13.3630 13.3630 13.3855 13.3855 13.4816 13.4816 13.5637 13.5637 13.9337 13.9337 13.9448 13.9448 14.7438 14.7438 14.7791 14.7791 20.1102 20.1102 20.1314 20.1314 21.1398 21.1398 k = 0.2848 0.4934 0.3876 ( 2104 PWs) bands (ev): 5.7123 5.7123 5.7144 5.7144 7.9513 7.9513 7.9569 7.9569 9.1270 9.1270 9.1317 9.1317 10.8120 10.8120 10.8204 10.8204 11.5691 11.5691 11.6440 11.6440 11.8739 11.8739 11.9328 11.9328 12.2596 12.2596 12.3291 12.3291 12.5646 12.5646 12.6143 12.6143 13.1544 13.1544 13.1928 13.1928 13.3436 13.3436 13.3636 13.3636 13.4804 13.4804 13.5671 13.5671 13.9749 13.9749 13.9892 13.9892 14.7579 14.7579 14.7932 14.7932 20.0373 20.0373 20.0584 20.0584 21.1630 21.1630 k = 0.2788 0.4829 0.3876 ( 2100 PWs) bands (ev): 5.6637 5.6637 5.6657 5.6657 7.9611 7.9611 7.9662 7.9662 9.1927 9.1927 9.1971 9.1971 10.8037 10.8037 10.8128 10.8128 11.5695 11.5695 11.6410 11.6410 11.8658 11.8658 11.9227 11.9227 12.2689 12.2689 12.3330 12.3330 12.5801 12.5801 12.6249 12.6249 13.1423 13.1423 13.1852 13.1852 13.3284 13.3284 13.3429 13.3429 13.4825 13.4825 13.5708 13.5708 14.0181 14.0181 14.0350 14.0350 14.7734 14.7734 14.8088 14.8088 19.9614 19.9614 19.9824 19.9824 21.1834 21.1834 k = 0.2727 0.4724 0.3876 ( 2100 PWs) bands (ev): 5.6100 5.6100 5.6119 5.6119 7.9765 7.9765 7.9811 7.9811 9.2602 9.2602 9.2643 9.2643 10.7945 10.7945 10.8043 10.8043 11.5696 11.5696 11.6375 11.6375 11.8567 11.8567 11.9112 11.9112 12.2795 12.2795 12.3382 12.3382 12.5974 12.5974 12.6373 12.6373 13.1267 13.1267 13.1740 13.1740 13.3177 13.3177 13.3257 13.3257 13.4864 13.4864 13.5748 13.5748 14.0630 14.0630 14.0819 14.0819 14.7902 14.7902 14.8257 14.8257 19.8834 19.8834 19.9040 19.9040 21.2003 21.2003 k = 0.2667 0.4619 0.3876 ( 2100 PWs) bands (ev): 5.5519 5.5519 5.5537 5.5537 7.9973 7.9973 8.0015 8.0015 9.3288 9.3288 9.3327 9.3327 10.7843 10.7843 10.7949 10.7949 11.5695 11.5695 11.6337 11.6337 11.8466 11.8466 11.8986 11.8986 12.2915 12.2915 12.3447 12.3447 12.6165 12.6165 12.6514 12.6514 13.1081 13.1081 13.1590 13.1590 13.3112 13.3112 13.3132 13.3132 13.4914 13.4914 13.5792 13.5792 14.1097 14.1097 14.1301 14.1301 14.8085 14.8085 14.8440 14.8440 19.8038 19.8038 19.8241 19.8241 21.2128 21.2128 k = 0.2606 0.4514 0.3876 ( 2096 PWs) bands (ev): 5.4898 5.4898 5.4916 5.4916 8.0232 8.0232 8.0270 8.0270 9.3981 9.3981 9.4018 9.4018 10.7732 10.7732 10.7846 10.7846 11.5693 11.5693 11.6296 11.6296 11.8357 11.8357 11.8852 11.8852 12.3050 12.3050 12.3530 12.3530 12.6373 12.6373 12.6674 12.6674 13.0873 13.0873 13.1405 13.1405 13.3056 13.3056 13.3082 13.3082 13.4973 13.4973 13.5839 13.5839 14.1580 14.1580 14.1797 14.1797 14.8281 14.8281 14.8637 14.8637 19.7233 19.7233 19.7431 19.7431 21.2206 21.2206 k = 0.2545 0.4409 0.3876 ( 2088 PWs) bands (ev): 5.4245 5.4245 5.4262 5.4262 8.0540 8.0540 8.0574 8.0574 9.4675 9.4675 9.4710 9.4710 10.7614 10.7614 10.7735 10.7735 11.5688 11.5688 11.6254 11.6254 11.8242 11.8242 11.8709 11.8709 12.3200 12.3200 12.3630 12.3630 12.6596 12.6596 12.6849 12.6849 13.0654 13.0654 13.1195 13.1195 13.3020 13.3020 13.3081 13.3081 13.5037 13.5037 13.5889 13.5889 14.2081 14.2081 14.2307 14.2307 14.8493 14.8493 14.8849 14.8849 19.6423 19.6423 19.6615 19.6615 21.2232 21.2232 k = 0.2485 0.4304 0.3876 ( 2088 PWs) bands (ev): 5.3564 5.3564 5.3580 5.3580 8.0890 8.0890 8.0921 8.0921 9.5364 9.5364 9.5399 9.5399 10.7488 10.7488 10.7616 10.7616 11.5681 11.5681 11.6209 11.6209 11.8121 11.8121 11.8561 11.8561 12.3363 12.3363 12.3745 12.3745 12.6831 12.6831 12.7037 12.7037 13.0433 13.0433 13.0971 13.0971 13.3015 13.3015 13.3100 13.3100 13.5106 13.5106 13.5942 13.5942 14.2598 14.2598 14.2832 14.2832 14.8718 14.8718 14.9074 14.9074 19.5612 19.5612 19.5797 19.5797 21.2206 21.2207 k = 0.2424 0.4199 0.3876 ( 2096 PWs) bands (ev): 5.2861 5.2861 5.2876 5.2876 8.1279 8.1279 8.1306 8.1306 9.6044 9.6044 9.6079 9.6079 10.7355 10.7355 10.7490 10.7490 11.5671 11.5671 11.6163 11.6163 11.7995 11.7995 11.8408 11.8408 12.3539 12.3539 12.3877 12.3877 12.7077 12.7077 12.7235 12.7235 13.0216 13.0216 13.0744 13.0744 13.3033 13.3033 13.3136 13.3136 13.5177 13.5177 13.5997 13.5997 14.3133 14.3133 14.3371 14.3371 14.8958 14.8958 14.9314 14.9314 19.4802 19.4802 19.4980 19.4980 21.2126 21.2126 k = 0.2364 0.4094 0.3876 ( 2104 PWs) bands (ev): 5.2141 5.2141 5.2156 5.2156 8.1703 8.1703 8.1727 8.1727 9.6709 9.6709 9.6745 9.6745 10.7216 10.7216 10.7358 10.7358 11.5660 11.5660 11.6117 11.6117 11.7867 11.7867 11.8252 11.8252 12.3727 12.3727 12.4023 12.4023 12.7333 12.7333 12.7442 12.7442 13.0011 13.0011 13.0522 13.0522 13.3070 13.3070 13.3184 13.3184 13.5252 13.5252 13.6055 13.6055 14.3686 14.3686 14.3927 14.3927 14.9214 14.9214 14.9570 14.9570 19.3996 19.3996 19.4167 19.4167 21.1995 21.1995 k = 0.2303 0.3989 0.3876 ( 2104 PWs) bands (ev): 5.1410 5.1410 5.1423 5.1423 8.2158 8.2158 8.2179 8.2179 9.7355 9.7355 9.7393 9.7393 10.7073 10.7073 10.7220 10.7220 11.5649 11.5649 11.6075 11.6075 11.7738 11.7738 11.8096 11.8096 12.3929 12.3929 12.4187 12.4187 12.7596 12.7596 12.7653 12.7653 12.9827 12.9827 13.0311 13.0311 13.3121 13.3121 13.3242 13.3242 13.5329 13.5329 13.6115 13.6115 14.4260 14.4260 14.4502 14.4502 14.9489 14.9489 14.9844 14.9844 19.3197 19.3197 19.3360 19.3360 21.1812 21.1819 k = 0.2242 0.3884 0.3876 ( 2100 PWs) bands (ev): 5.0670 5.0670 5.0683 5.0683 8.2640 8.2640 8.2658 8.2658 9.7976 9.7976 9.8017 9.8017 10.6927 10.6927 10.7079 10.7079 11.5640 11.5640 11.6036 11.6036 11.7609 11.7609 11.7941 11.7941 12.4143 12.4143 12.4365 12.4365 12.7862 12.7862 12.7865 12.7865 12.9669 12.9669 13.0115 13.0115 13.3183 13.3183 13.3309 13.3309 13.5408 13.5408 13.6178 13.6178 14.4855 14.4855 14.5096 14.5096 14.9782 14.9782 15.0136 15.0136 19.2406 19.2406 19.2562 19.2562 21.1576 21.1587 k = 0.2182 0.3779 0.3876 ( 2104 PWs) bands (ev): 4.9927 4.9927 4.9938 4.9938 8.3146 8.3146 8.3161 8.3161 9.8568 9.8568 9.8611 9.8611 10.6779 10.6779 10.6935 10.6935 11.5633 11.5633 11.6002 11.6002 11.7480 11.7480 11.7787 11.7787 12.4367 12.4367 12.4557 12.4557 12.8060 12.8060 12.8137 12.8137 12.9546 12.9546 12.9938 12.9938 13.3255 13.3255 13.3382 13.3382 13.5488 13.5488 13.6241 13.6241 14.5471 14.5471 14.5711 14.5711 15.0094 15.0094 15.0447 15.0447 19.1626 19.1626 19.1773 19.1773 21.1088 21.1088 k = 0.2121 0.3674 0.3876 ( 2098 PWs) bands (ev): 4.9182 4.9182 4.9193 4.9193 8.3671 8.3671 8.3684 8.3684 9.9125 9.9125 9.9171 9.9171 10.6631 10.6631 10.6790 10.6790 11.5628 11.5628 11.5973 11.5973 11.7353 11.7353 11.7636 11.7636 12.4601 12.4601 12.4762 12.4762 12.8234 12.8234 12.8407 12.8407 12.9476 12.9476 12.9787 12.9787 13.3337 13.3337 13.3462 13.3462 13.5570 13.5570 13.6307 13.6307 14.6112 14.6112 14.6349 14.6349 15.0427 15.0427 15.0779 15.0779 19.0857 19.0857 19.0996 19.0996 21.0212 21.0212 k = 0.2061 0.3569 0.3876 ( 2094 PWs) bands (ev): 4.8440 4.8440 4.8450 4.8450 8.4214 8.4214 8.4225 8.4225 9.9642 9.9642 9.9691 9.9691 10.6487 10.6487 10.6647 10.6647 11.5627 11.5627 11.5950 11.5950 11.7228 11.7228 11.7489 11.7489 12.4844 12.4844 12.4978 12.4978 12.8368 12.8368 12.8670 12.8670 12.9473 12.9473 12.9667 12.9667 13.3426 13.3426 13.3548 13.3548 13.5652 13.5652 13.6373 13.6373 14.6778 14.6778 14.7009 14.7009 15.0783 15.0783 15.1134 15.1134 19.0102 19.0102 19.0232 19.0232 20.9201 20.9201 k = 0.2000 0.3464 0.3876 ( 2102 PWs) bands (ev): 4.7703 4.7703 4.7712 4.7712 8.4770 8.4770 8.4779 8.4779 10.0113 10.0113 10.0165 10.0165 10.6346 10.6346 10.6507 10.6507 11.5627 11.5627 11.5931 11.5931 11.7104 11.7104 11.7344 11.7344 12.5092 12.5092 12.5202 12.5202 12.8453 12.8453 12.8910 12.8910 12.9544 12.9544 12.9593 12.9593 13.3523 13.3523 13.3639 13.3639 13.5734 13.5734 13.6439 13.6439 14.7471 14.7471 14.7694 14.7694 15.1162 15.1162 15.1512 15.1512 18.9361 18.9361 18.9482 18.9482 20.8172 20.8172 k = 0.1939 0.3359 0.3876 ( 2098 PWs) bands (ev): 4.6973 4.6973 4.6982 4.6982 8.5339 8.5339 8.5345 8.5345 10.0534 10.0534 10.0589 10.0589 10.6215 10.6215 10.6374 10.6374 11.5634 11.5634 11.5921 11.5921 11.6983 11.6983 11.7204 11.7204 12.5348 12.5348 12.5437 12.5437 12.8503 12.8503 12.9093 12.9093 12.9603 12.9603 12.9681 12.9681 13.3626 13.3626 13.3735 13.3735 13.5816 13.5816 13.6505 13.6505 14.8192 14.8192 14.8406 14.8406 15.1568 15.1568 15.1917 15.1917 18.8636 18.8636 18.8747 18.8747 20.7151 20.7151 k = 0.1879 0.3254 0.3876 ( 2098 PWs) bands (ev): 4.6253 4.6253 4.6261 4.6261 8.5917 8.5917 8.5922 8.5922 10.0901 10.0901 10.0958 10.0958 10.6094 10.6094 10.6250 10.6250 11.5643 11.5643 11.5915 11.5915 11.6865 11.6865 11.7067 11.7067 12.5608 12.5608 12.5679 12.5679 12.8537 12.8537 12.9177 12.9177 12.9733 12.9733 12.9860 12.9860 13.3736 13.3736 13.3836 13.3836 13.5897 13.5897 13.6569 13.6569 14.8944 14.8944 14.9146 14.9146 15.2000 15.2000 15.2351 15.2351 18.7927 18.7927 18.8029 18.8029 20.6144 20.6144 k = 0.1818 0.3149 0.3876 ( 2102 PWs) bands (ev): 4.5544 4.5544 4.5551 4.5551 8.6502 8.6502 8.6504 8.6504 10.1209 10.1209 10.1267 10.1267 10.5987 10.5987 10.6138 10.6138 11.5656 11.5656 11.5914 11.5914 11.6750 11.6750 11.6934 11.6934 12.5872 12.5872 12.5928 12.5928 12.8574 12.8574 12.9205 12.9205 12.9944 12.9944 13.0062 13.0062 13.3852 13.3852 13.3942 13.3942 13.5977 13.5977 13.6633 13.6633 14.9728 14.9728 14.9914 14.9914 15.2460 15.2460 15.2814 15.2814 18.7236 18.7236 18.7329 18.7329 20.5154 20.5154 k = 0.1758 0.3044 0.3876 ( 2102 PWs) bands (ev): 4.4848 4.4848 4.4854 4.4854 8.7092 8.7092 8.7092 8.7092 10.1457 10.1457 10.1513 10.1513 10.5897 10.5897 10.6039 10.6039 11.5672 11.5672 11.5916 11.5916 11.6639 11.6639 11.6807 11.6807 12.6142 12.6142 12.6185 12.6185 12.8628 12.8628 12.9230 12.9230 13.0181 13.0181 13.0274 13.0274 13.3974 13.3974 13.4053 13.4053 13.6056 13.6056 13.6695 13.6695 15.0544 15.0544 15.0710 15.0710 15.2949 15.2949 15.3311 15.3311 18.6564 18.6564 18.6647 18.6647 20.4184 20.4184 k = 0.1697 0.2939 0.3876 ( 2102 PWs) bands (ev): 4.4166 4.4166 4.4172 4.4172 8.7684 8.7684 8.7685 8.7685 10.1644 10.1644 10.1697 10.1697 10.5825 10.5825 10.5957 10.5957 11.5689 11.5689 11.5919 11.5919 11.6531 11.6531 11.6683 11.6683 12.6415 12.6415 12.6447 12.6447 12.8704 12.8704 12.9272 12.9272 13.0421 13.0421 13.0489 13.0489 13.4101 13.4101 13.4167 13.4167 13.6132 13.6132 13.6754 13.6754 15.1397 15.1397 15.1536 15.1536 15.3470 15.3470 15.3844 15.3844 18.5911 18.5911 18.5984 18.5984 20.3235 20.3235 k = 0.1636 0.2834 0.3876 ( 2098 PWs) bands (ev): 4.3500 4.3500 4.3506 4.3506 8.8276 8.8276 8.8279 8.8279 10.1772 10.1772 10.1818 10.1818 10.5772 10.5772 10.5891 10.5891 11.5706 11.5706 11.5922 11.5922 11.6426 11.6426 11.6563 11.6563 12.6693 12.6693 12.6715 12.6715 12.8805 12.8805 12.9336 12.9336 13.0658 13.0658 13.0701 13.0701 13.4232 13.4232 13.4285 13.4285 13.6207 13.6207 13.6811 13.6811 15.2285 15.2285 15.2387 15.2387 15.4024 15.4024 15.4419 15.4419 18.5279 18.5279 18.5341 18.5341 20.2309 20.2309 k = 0.1576 0.2729 0.3876 ( 2098 PWs) bands (ev): 4.2852 4.2852 4.2856 4.2856 8.8868 8.8868 8.8873 8.8873 10.1843 10.1843 10.1882 10.1882 10.5736 10.5736 10.5840 10.5840 11.5719 11.5719 11.5920 11.5920 11.6326 11.6326 11.6447 11.6447 12.6972 12.6972 12.6987 12.6987 12.8931 12.8931 12.9425 12.9425 13.0887 13.0887 13.0907 13.0907 13.4367 13.4367 13.4407 13.4407 13.6278 13.6278 13.6864 13.6864 15.3210 15.3210 15.3262 15.3262 15.4612 15.4612 15.5042 15.5042 18.4668 18.4668 18.4719 18.4719 20.1405 20.1405 k = 0.1515 0.2624 0.3876 ( 2098 PWs) bands (ev): 4.2221 4.2221 4.2225 4.2225 8.9459 8.9459 8.9465 8.9465 10.1863 10.1863 10.1894 10.1894 10.5712 10.5712 10.5801 10.5801 11.5728 11.5728 11.5911 11.5911 11.6230 11.6230 11.6335 11.6335 12.7255 12.7255 12.7263 12.7263 12.9082 12.9082 12.9538 12.9538 13.1105 13.1105 13.1107 13.1107 13.4505 13.4505 13.4531 13.4531 13.6346 13.6346 13.6912 13.6912 15.4151 15.4151 15.4171 15.4171 15.5237 15.5237 15.5721 15.5721 18.4080 18.4080 18.4120 18.4120 20.0526 20.0526 k = 0.1455 0.2519 0.3876 ( 2102 PWs) bands (ev): 4.1609 4.1609 4.1613 4.1613 9.0045 9.0045 9.0052 9.0052 10.1839 10.1839 10.1861 10.1861 10.5697 10.5697 10.5771 10.5771 11.5731 11.5731 11.5893 11.5893 11.6141 11.6141 11.6227 11.6227 12.7540 12.7540 12.7542 12.7542 12.9255 12.9255 12.9673 12.9673 13.1295 13.1295 13.1317 13.1317 13.4644 13.4644 13.4656 13.4656 13.6409 13.6409 13.6956 13.6956 15.5045 15.5045 15.5163 15.5163 15.5903 15.5903 15.6470 15.6470 18.3515 18.3515 18.3543 18.3543 19.9671 19.9671 k = 0.1394 0.2414 0.3876 ( 2098 PWs) bands (ev): 4.1017 4.1017 4.1021 4.1021 9.0627 9.0627 9.0635 9.0635 10.1778 10.1778 10.1792 10.1792 10.5688 10.5688 10.5748 10.5748 11.5727 11.5727 11.5862 11.5862 11.6061 11.6061 11.6124 11.6124 12.7824 12.7824 12.7827 12.7827 12.9450 12.9450 12.9829 12.9829 13.1476 13.1476 13.1517 13.1517 13.4783 13.4783 13.4785 13.4785 13.6468 13.6468 13.6994 13.6994 15.5930 15.5930 15.6171 15.6171 15.6630 15.6630 15.7302 15.7302 18.2974 18.2974 18.2991 18.2991 19.8843 19.8843 k = 0.1333 0.2309 0.3876 ( 2098 PWs) bands (ev): 4.0446 4.0446 4.0449 4.0449 9.1201 9.1201 9.1210 9.1210 10.1688 10.1688 10.1695 10.1695 10.5678 10.5678 10.5725 10.5725 11.5714 11.5714 11.5815 11.5815 11.5991 11.5991 11.6025 11.6025 12.8106 12.8106 12.8114 12.8114 12.9663 12.9663 13.0003 13.0003 13.1648 13.1648 13.1707 13.1707 13.4910 13.4910 13.4925 13.4925 13.6522 13.6522 13.7026 13.7026 15.6800 15.6800 15.7119 15.7119 15.7490 15.7490 15.8225 15.8225 18.2459 18.2459 18.2464 18.2464 19.8041 19.8041 k = 0.1273 0.2204 0.3876 ( 2102 PWs) bands (ev): 3.9897 3.9897 3.9899 3.9899 9.1769 9.1769 9.1779 9.1779 10.1575 10.1575 10.1576 10.1576 10.5664 10.5664 10.5701 10.5701 11.5689 11.5689 11.5753 11.5753 11.5929 11.5929 11.5931 11.5931 12.8384 12.8384 12.8397 12.8397 12.9891 12.9891 13.0193 13.0193 13.1812 13.1812 13.1888 13.1888 13.5035 13.5035 13.5062 13.5062 13.6570 13.6570 13.7051 13.7051 15.7656 15.7656 15.7953 15.7953 15.8538 15.8538 15.9235 15.9235 18.1963 18.1963 18.1971 18.1971 19.7268 19.7268 k = 0.1212 0.2099 0.3876 ( 2106 PWs) bands (ev): 3.9369 3.9369 3.9371 3.9371 9.2328 9.2328 9.2338 9.2338 10.1441 10.1441 10.1445 10.1445 10.5645 10.5645 10.5673 10.5673 11.5654 11.5654 11.5683 11.5683 11.5844 11.5844 11.5871 11.5871 12.8659 12.8659 12.8674 12.8674 13.0133 13.0133 13.0395 13.0395 13.1968 13.1968 13.2060 13.2060 13.5157 13.5157 13.5196 13.5196 13.6612 13.6612 13.7070 13.7070 15.8508 15.8508 15.8764 15.8764 15.9681 15.9681 16.0321 16.0321 18.1489 18.1489 18.1511 18.1511 19.6523 19.6523 k = 0.1152 0.1994 0.3876 ( 2104 PWs) bands (ev): 3.8864 3.8864 3.8866 3.8866 9.2876 9.2876 9.2888 9.2888 10.1295 10.1295 10.1304 10.1304 10.5619 10.5619 10.5640 10.5640 11.5608 11.5608 11.5608 11.5608 11.5765 11.5765 11.5814 11.5814 12.8927 12.8927 12.8945 12.8945 13.0388 13.0388 13.0611 13.0611 13.2119 13.2119 13.2226 13.2226 13.5276 13.5276 13.5325 13.5325 13.6648 13.6648 13.7082 13.7082 15.9368 15.9368 15.9592 15.9592 16.0875 16.0875 16.1471 16.1471 18.1046 18.1046 18.1082 18.1082 19.5808 19.5808 k = 0.1091 0.1890 0.3876 ( 2104 PWs) bands (ev): 3.8383 3.8383 3.8384 3.8384 9.3413 9.3413 9.3425 9.3425 10.1143 10.1143 10.1154 10.1154 10.5585 10.5585 10.5600 10.5600 11.5534 11.5534 11.5551 11.5551 11.5695 11.5695 11.5755 11.5755 12.9186 12.9186 12.9204 12.9204 13.0653 13.0653 13.0836 13.0836 13.2266 13.2266 13.2387 13.2387 13.5389 13.5389 13.5448 13.5448 13.6677 13.6677 13.7087 13.7087 16.0240 16.0240 16.0443 16.0443 16.2110 16.2110 16.2674 16.2674 18.0633 18.0633 18.0685 18.0685 19.5124 19.5124 k = 0.1030 0.1785 0.3876 ( 2092 PWs) bands (ev): 3.7925 3.7925 3.7926 3.7926 9.3938 9.3938 9.3950 9.3950 10.0988 10.0988 10.1001 10.1001 10.5544 10.5544 10.5553 10.5553 11.5461 11.5461 11.5487 11.5487 11.5630 11.5630 11.5693 11.5693 12.9432 12.9432 12.9450 12.9450 13.0928 13.0928 13.1070 13.1070 13.2411 13.2411 13.2545 13.2545 13.5497 13.5497 13.5564 13.5564 13.6700 13.6700 13.7084 13.7084 16.1129 16.1129 16.1319 16.1319 16.3382 16.3382 16.3924 16.3924 18.0255 18.0255 18.0323 18.0323 19.4472 19.4472 k = 0.0970 0.1680 0.3876 ( 2096 PWs) bands (ev): 3.7491 3.7491 3.7492 3.7492 9.4448 9.4448 9.4460 9.4460 10.0830 10.0830 10.0846 10.0846 10.5493 10.5493 10.5499 10.5499 11.5389 11.5389 11.5417 11.5417 11.5567 11.5567 11.5628 11.5628 12.9662 12.9662 12.9678 12.9678 13.1206 13.1206 13.1310 13.1310 13.2555 13.2555 13.2701 13.2701 13.5596 13.5596 13.5670 13.5670 13.6714 13.6714 13.7073 13.7073 16.2033 16.2033 16.2215 16.2215 16.4686 16.4686 16.5212 16.5212 17.9914 17.9914 18.0000 18.0000 19.3854 19.3854 k = 0.0909 0.1575 0.3876 ( 2092 PWs) bands (ev): 3.7081 3.7081 3.7082 3.7082 9.4943 9.4943 9.4955 9.4955 10.0676 10.0676 10.0692 10.0692 10.5435 10.5435 10.5438 10.5438 11.5320 11.5320 11.5348 11.5348 11.5505 11.5505 11.5560 11.5560 12.9875 12.9875 12.9889 12.9889 13.1488 13.1488 13.1555 13.1555 13.2700 13.2700 13.2856 13.2856 13.5688 13.5688 13.5767 13.5767 13.6723 13.6723 13.7055 13.7055 16.2951 16.2951 16.3126 16.3126 16.6018 16.6018 16.6534 16.6534 17.9614 17.9614 17.9719 17.9719 19.3270 19.3270 k = 0.0848 0.1470 0.3876 ( 2092 PWs) bands (ev): 3.6697 3.6697 3.6698 3.6698 9.5421 9.5421 9.5433 9.5433 10.0525 10.0525 10.0541 10.0541 10.5369 10.5369 10.5370 10.5370 11.5252 11.5252 11.5278 11.5278 11.5443 11.5443 11.5492 11.5492 13.0069 13.0069 13.0080 13.0080 13.1769 13.1769 13.1802 13.1802 13.2847 13.2847 13.3011 13.3011 13.5770 13.5770 13.5853 13.5853 13.6724 13.6724 13.7030 13.7030 16.3878 16.3878 16.4047 16.4047 16.7375 16.7375 16.7886 16.7886 17.9359 17.9359 17.9486 17.9486 19.2722 19.2722 k = 0.0788 0.1365 0.3876 ( 2092 PWs) bands (ev): 3.6337 3.6337 3.6338 3.6338 9.5882 9.5882 9.5894 9.5894 10.0379 10.0379 10.0395 10.0395 10.5295 10.5295 10.5295 10.5295 11.5188 11.5188 11.5211 11.5211 11.5382 11.5382 11.5423 11.5423 13.0242 13.0242 13.0251 13.0251 13.2046 13.2046 13.2050 13.2050 13.2999 13.2999 13.3169 13.3169 13.5842 13.5842 13.5926 13.5926 13.6718 13.6718 13.6996 13.6996 16.4806 16.4806 16.4969 16.4969 16.8752 16.8752 16.9260 16.9260 17.9156 17.9156 17.9308 17.9308 19.2212 19.2212 k = 0.0727 0.1260 0.3876 ( 2092 PWs) bands (ev): 3.6004 3.6004 3.6004 3.6004 9.6322 9.6322 9.6334 9.6334 10.0240 10.0240 10.0256 10.0256 10.5213 10.5213 10.5214 10.5214 11.5128 11.5128 11.5147 11.5147 11.5322 11.5322 11.5355 11.5355 13.0396 13.0396 13.0403 13.0403 13.2295 13.2295 13.2317 13.2317 13.3158 13.3158 13.3328 13.3328 13.5903 13.5903 13.5987 13.5987 13.6707 13.6707 13.6957 13.6957 16.5727 16.5727 16.5881 16.5881 17.0143 17.0143 17.0652 17.0652 17.9012 17.9012 17.9192 17.9192 19.1742 19.1742 k = 0.0667 0.1155 0.3876 ( 2088 PWs) bands (ev): 3.5696 3.5696 3.5696 3.5696 9.6743 9.6743 9.6754 9.6754 10.0109 10.0109 10.0124 10.0124 10.5128 10.5128 10.5129 10.5129 11.5071 11.5071 11.5087 11.5087 11.5264 11.5264 11.5291 11.5291 13.0530 13.0530 13.0536 13.0536 13.2535 13.2535 13.2575 13.2575 13.3322 13.3322 13.3489 13.3489 13.5954 13.5954 13.6035 13.6035 13.6690 13.6690 13.6911 13.6911 16.6628 16.6628 16.6771 16.6771 17.1542 17.1542 17.2054 17.2054 17.8938 17.8938 17.9148 17.9148 19.1314 19.1314 k = 0.0606 0.1050 0.3876 ( 2092 PWs) bands (ev): 3.5414 3.5414 3.5414 3.5414 9.7140 9.7140 9.7151 9.7151 9.9987 9.9987 10.0001 10.0001 10.5038 10.5038 10.5039 10.5039 11.5017 11.5017 11.5029 11.5029 11.5208 11.5208 11.5229 11.5229 13.0646 13.0646 13.0650 13.0650 13.2766 13.2766 13.2818 13.2818 13.3492 13.3492 13.3649 13.3649 13.5993 13.5993 13.6069 13.6069 13.6667 13.6667 13.6858 13.6858 16.7493 16.7493 16.7622 16.7622 17.2941 17.2941 17.3458 17.3458 17.8945 17.8945 17.9189 17.9189 19.0932 19.0932 k = 0.0545 0.0945 0.3876 ( 2092 PWs) bands (ev): 3.5158 3.5158 3.5158 3.5158 9.7512 9.7512 9.7522 9.7522 9.9875 9.9875 9.9888 9.9888 10.4945 10.4945 10.4947 10.4947 11.4967 11.4967 11.4976 11.4976 11.5155 11.5155 11.5170 11.5170 13.0744 13.0744 13.0748 13.0748 13.2988 13.2988 13.3045 13.3045 13.3669 13.3669 13.3810 13.3810 13.6021 13.6021 13.6088 13.6088 13.6640 13.6640 13.6801 13.6801 16.8306 16.8306 16.8416 16.8416 17.4331 17.4331 17.4853 17.4853 17.9047 17.9047 17.9327 17.9327 19.0599 19.0599 k = 0.0485 0.0840 0.3876 ( 2086 PWs) bands (ev): 3.4929 3.4929 3.4929 3.4929 9.7857 9.7857 9.7866 9.7866 9.9776 9.9776 9.9787 9.9787 10.4852 10.4852 10.4853 10.4853 11.4921 11.4921 11.4928 11.4928 11.5107 11.5107 11.5118 11.5118 13.0828 13.0828 13.0830 13.0830 13.3198 13.3198 13.3252 13.3252 13.3849 13.3849 13.3970 13.3970 13.6040 13.6040 13.6096 13.6096 13.6611 13.6611 13.6741 13.6741 16.9047 16.9047 16.9135 16.9135 17.5701 17.5701 17.6227 17.6227 17.9255 17.9255 17.9571 17.9571 19.0320 19.0320 k = 0.0424 0.0735 0.3876 ( 2086 PWs) bands (ev): 3.4726 3.4726 3.4726 3.4726 9.8170 9.8170 9.8179 9.8179 9.9688 9.9688 9.9699 9.9699 10.4758 10.4758 10.4759 10.4759 11.4880 11.4880 11.4884 11.4884 11.5064 11.5064 11.5072 11.5072 13.0897 13.0897 13.0899 13.0899 13.3393 13.3393 13.3439 13.3439 13.4027 13.4027 13.4124 13.4124 13.6046 13.6046 13.6091 13.6091 13.6578 13.6578 13.6678 13.6678 16.9697 16.9697 16.9763 16.9763 17.7035 17.7035 17.7562 17.7562 17.9578 17.9578 17.9928 17.9928 19.0104 19.0104 k = 0.0364 0.0630 0.3876 ( 2084 PWs) bands (ev): 3.4550 3.4550 3.4550 3.4550 9.8449 9.8449 9.8457 9.8457 9.9615 9.9615 9.9624 9.9624 10.4666 10.4666 10.4667 10.4667 11.4843 11.4843 11.4847 11.4847 11.5026 11.5026 11.5032 11.5032 13.0954 13.0954 13.0955 13.0955 13.3571 13.3571 13.3607 13.3607 13.4200 13.4200 13.4272 13.4272 13.6043 13.6043 13.6075 13.6075 13.6542 13.6542 13.6614 13.6614 17.0245 17.0245 17.0290 17.0290 17.8315 17.8315 17.8835 17.8835 18.0016 18.0016 18.0391 18.0391 18.9961 18.9961 k = 0.0303 0.0525 0.3876 ( 2080 PWs) bands (ev): 3.4401 3.4401 3.4401 3.4401 9.8689 9.8689 9.8696 9.8696 9.9559 9.9559 9.9566 9.9566 10.4581 10.4581 10.4581 10.4581 11.4811 11.4811 11.4814 11.4814 11.4993 11.4993 11.4997 11.4997 13.1000 13.1000 13.1000 13.1000 13.3730 13.3730 13.3756 13.3756 13.4360 13.4360 13.4409 13.4409 13.6033 13.6033 13.6054 13.6054 13.6505 13.6505 13.6552 13.6552 17.0687 17.0687 17.0714 17.0714 17.9518 17.9518 18.0015 18.0015 18.0559 18.0559 18.0940 18.0940 18.9908 18.9908 k = 0.0242 0.0420 0.3876 ( 2072 PWs) bands (ev): 3.4279 3.4279 3.4279 3.4279 9.8883 9.8883 9.8887 9.8887 9.9524 9.9524 9.9529 9.9529 10.4505 10.4505 10.4505 10.4505 11.4785 11.4785 11.4786 11.4786 11.4967 11.4967 11.4968 11.4968 13.1035 13.1035 13.1036 13.1036 13.3868 13.3868 13.3882 13.3882 13.4502 13.4502 13.4531 13.4531 13.6018 13.6018 13.6030 13.6030 13.6469 13.6469 13.6496 13.6496 17.1025 17.1025 17.1039 17.1039 18.0611 18.0611 18.1041 18.1041 18.1192 18.1192 18.1538 18.1538 18.9965 18.9965 k = 0.0182 0.0315 0.3876 ( 2072 PWs) bands (ev): 3.4184 3.4184 3.4184 3.4184 9.9022 9.9022 9.9024 9.9024 9.9513 9.9513 9.9516 9.9516 10.4441 10.4441 10.4441 10.4441 11.4763 11.4763 11.4764 11.4764 11.4945 11.4945 11.4946 11.4946 13.1062 13.1062 13.1063 13.1063 13.3979 13.3979 13.3986 13.3986 13.4619 13.4619 13.4633 13.4633 13.5999 13.5999 13.6005 13.6005 13.6434 13.6434 13.6446 13.6446 17.1270 17.1270 17.1276 17.1276 18.1554 18.1554 18.1770 18.1770 18.1961 18.1961 18.2126 18.2126 19.0149 19.0149 k = 0.0121 0.0210 0.3876 ( 2072 PWs) bands (ev): 3.4116 3.4116 3.4116 3.4116 9.9105 9.9105 9.9105 9.9105 9.9525 9.9525 9.9526 9.9526 10.4392 10.4392 10.4392 10.4392 11.4747 11.4747 11.4748 11.4748 11.4929 11.4929 11.4930 11.4930 13.1080 13.1080 13.1081 13.1081 13.4061 13.4061 13.4064 13.4064 13.4707 13.4707 13.4712 13.4712 13.5982 13.5982 13.5984 13.5984 13.6404 13.6404 13.6408 13.6408 17.1433 17.1433 17.1435 17.1435 18.2298 18.2298 18.2358 18.2358 18.2588 18.2588 18.2627 18.2627 19.0460 19.0460 k = 0.0061 0.0105 0.3876 ( 2068 PWs) bands (ev): 3.4075 3.4075 3.4075 3.4075 9.9142 9.9142 9.9143 9.9143 9.9546 9.9546 9.9546 9.9546 10.4361 10.4361 10.4361 10.4361 11.4739 11.4739 11.4739 11.4739 11.4921 11.4921 11.4922 11.4922 13.1091 13.1091 13.1092 13.1092 13.4112 13.4112 13.4113 13.4113 13.4761 13.4761 13.4762 13.4762 13.5970 13.5970 13.5971 13.5971 13.6383 13.6383 13.6384 13.6384 17.1526 17.1526 17.1527 17.1527 18.2794 18.2794 18.2800 18.2800 18.2950 18.2950 18.2953 18.2953 19.0821 19.0822 k = 0.0000 0.0000 0.3876 ( 2060 PWs) bands (ev): 3.4061 3.4061 3.4062 3.4062 9.9153 9.9153 9.9153 9.9153 9.9555 9.9555 9.9556 9.9556 10.4351 10.4351 10.4351 10.4351 11.4736 11.4736 11.4736 11.4736 11.4918 11.4918 11.4919 11.4919 13.1096 13.1096 13.1097 13.1097 13.4130 13.4130 13.4131 13.4131 13.4780 13.4780 13.4781 13.4781 13.5966 13.5966 13.5967 13.5967 13.6376 13.6376 13.6376 13.6376 17.1556 17.1556 17.1557 17.1557 18.2992 18.2992 18.2992 18.2992 18.3042 18.3042 18.3042 18.3042 19.1003 19.1003 k = 0.5000 0.2887 0.3876 ( 2120 PWs) bands (ev): 5.5434 5.5434 5.5434 5.5434 7.3631 7.3631 7.3631 7.3631 10.3959 10.3959 10.3959 10.3959 10.8331 10.8331 10.8331 10.8331 11.5203 11.5203 11.5204 11.5204 11.7410 11.7410 11.7411 11.7411 12.3980 12.3980 12.3980 12.3980 12.5163 12.5163 12.5163 12.5163 13.1116 13.1116 13.1117 13.1117 13.1710 13.1710 13.1711 13.1711 13.6133 13.6133 13.6134 13.6134 13.9622 13.9622 13.9622 13.9622 15.8892 15.8892 15.8893 15.8893 17.9694 17.9694 17.9694 17.9694 20.5583 20.5583 k = 0.5000 0.2887 0.3755 ( 2118 PWs) bands (ev): 5.5050 5.5050 5.5789 5.5789 7.3169 7.3169 7.4151 7.4151 10.3553 10.3553 10.4368 10.4368 10.8334 10.8334 10.8337 10.8337 11.4938 11.4938 11.5465 11.5465 11.7174 11.7174 11.7656 11.7656 12.3954 12.3954 12.3992 12.3992 12.5035 12.5035 12.5283 12.5283 13.0965 13.0965 13.1242 13.1242 13.1580 13.1580 13.1873 13.1873 13.6129 13.6129 13.6135 13.6135 13.9614 13.9614 13.9638 13.9638 15.7995 15.7995 15.9806 15.9806 17.9435 17.9435 17.9944 17.9944 20.3923 20.3923 k = 0.5000 0.2887 0.3634 ( 2120 PWs) bands (ev): 5.4642 5.4642 5.6110 5.6110 7.2772 7.2772 7.4724 7.4724 10.3155 10.3155 10.4781 10.4781 10.8343 10.8343 10.8351 10.8351 11.4668 11.4668 11.5720 11.5720 11.6943 11.6943 11.7906 11.7906 12.3908 12.3908 12.3994 12.3994 12.4908 12.4908 12.5388 12.5388 13.0784 13.0784 13.1351 13.1351 13.1487 13.1487 13.2053 13.2053 13.6121 13.6121 13.6130 13.6130 13.9612 13.9612 13.9664 13.9664 15.7113 15.7113 16.0734 16.0734 17.9168 17.9168 18.0184 18.0184 20.2101 20.2101 k = 0.5000 0.2887 0.3513 ( 2120 PWs) bands (ev): 5.4218 5.4218 5.6390 5.6390 7.2443 7.2443 7.5346 7.5346 10.2766 10.2766 10.5194 10.5194 10.8360 10.8360 10.8373 10.8373 11.4395 11.4395 11.5967 11.5967 11.6722 11.6722 11.8161 11.8161 12.3833 12.3833 12.3987 12.3987 12.4793 12.4793 12.5474 12.5474 13.0580 13.0580 13.1423 13.1423 13.1461 13.1461 13.2236 13.2236 13.6109 13.6109 13.6120 13.6120 13.9615 13.9615 13.9700 13.9700 15.6250 15.6250 16.1678 16.1678 17.8892 17.8892 18.0410 18.0410 20.0245 20.0245 k = 0.5000 0.2887 0.3392 ( 2116 PWs) bands (ev): 5.3781 5.3781 5.6624 5.6624 7.2188 7.2188 7.6011 7.6011 10.2390 10.2390 10.5604 10.5604 10.8385 10.8385 10.8404 10.8404 11.4118 11.4118 11.6193 11.6193 11.6526 11.6526 11.8420 11.8420 12.3723 12.3723 12.3972 12.3972 12.4705 12.4705 12.5539 12.5539 13.0363 13.0363 13.1400 13.1400 13.1556 13.1556 13.2415 13.2415 13.6096 13.6096 13.6105 13.6105 13.9621 13.9621 13.9750 13.9750 15.5404 15.5404 16.2637 16.2637 17.8603 17.8603 18.0616 18.0616 19.8400 19.8400 k = 0.5000 0.2887 0.3271 ( 2116 PWs) bands (ev): 5.3337 5.3337 5.6807 5.6807 7.2010 7.2010 7.6715 7.6715 10.2028 10.2028 10.6007 10.6007 10.8417 10.8417 10.8442 10.8442 11.3837 11.3837 11.6230 11.6230 11.6521 11.6521 11.8682 11.8682 12.3570 12.3570 12.3949 12.3949 12.4646 12.4646 12.5580 12.5580 13.0141 13.0141 13.1397 13.1397 13.1655 13.1655 13.2582 13.2582 13.6078 13.6078 13.6086 13.6086 13.9629 13.9629 13.9812 13.9812 15.4576 15.4576 16.3608 16.3608 17.8300 17.8300 18.0795 18.0795 19.6591 19.6591 k = 0.5000 0.2887 0.3150 ( 2112 PWs) bands (ev): 5.2888 5.2888 5.6936 5.6936 7.1911 7.1911 7.7454 7.7454 10.1683 10.1683 10.6400 10.6400 10.8456 10.8456 10.8489 10.8489 11.3554 11.3554 11.6056 11.6056 11.6729 11.6729 11.8947 11.8947 12.3380 12.3380 12.3919 12.3919 12.4619 12.4619 12.5597 12.5597 12.9920 12.9920 13.1414 13.1414 13.1755 13.1755 13.2735 13.2735 13.6054 13.6054 13.6068 13.6068 13.9638 13.9638 13.9889 13.9889 15.3768 15.3768 16.4593 16.4593 17.7976 17.7976 18.0936 18.0936 19.4832 19.4832 k = 0.5000 0.2887 0.3028 ( 2108 PWs) bands (ev): 5.2439 5.2439 5.7011 5.7011 7.1889 7.1889 7.8224 7.8224 10.1357 10.1357 10.6779 10.6779 10.8503 10.8503 10.8544 10.8544 11.3266 11.3266 11.5870 11.5870 11.6955 11.6955 11.9213 11.9213 12.3160 12.3160 12.3880 12.3880 12.4616 12.4616 12.5591 12.5591 12.9706 12.9706 13.1449 13.1449 13.1855 13.1855 13.2868 13.2868 13.6023 13.6023 13.6053 13.6053 13.9647 13.9647 13.9982 13.9982 15.2979 15.2979 16.5589 16.5589 17.7624 17.7624 18.1025 18.1025 19.3139 19.3139 k = 0.5000 0.2887 0.2907 ( 2104 PWs) bands (ev): 5.1993 5.1993 5.7032 5.7032 7.1943 7.1943 7.9022 7.9022 10.1052 10.1052 10.7140 10.7140 10.8556 10.8556 10.8608 10.8608 11.2976 11.2976 11.5691 11.5691 11.7179 11.7179 11.9480 11.9480 12.2917 12.2917 12.3833 12.3833 12.4631 12.4631 12.5561 12.5561 12.9502 12.9502 13.1498 13.1498 13.1955 13.1955 13.2981 13.2981 13.5987 13.5987 13.6039 13.6039 13.9654 13.9654 14.0089 14.0089 15.2211 15.2211 16.6597 16.6597 17.7237 17.7237 18.1044 18.1044 19.1524 19.1524 k = 0.5000 0.2887 0.2786 ( 2104 PWs) bands (ev): 5.1552 5.1552 5.7003 5.7003 7.2067 7.2067 7.9846 7.9846 10.0770 10.0770 10.7478 10.7478 10.8615 10.8615 10.8682 10.8682 11.2680 11.2680 11.5518 11.5518 11.7399 11.7399 11.9746 11.9746 12.2658 12.2658 12.3775 12.3775 12.4662 12.4662 12.5512 12.5512 12.9311 12.9311 13.1557 13.1557 13.2053 13.2053 13.3072 13.3072 13.5947 13.5947 13.6026 13.6026 13.9658 13.9658 14.0211 14.0211 15.1463 15.1463 16.7613 16.7613 17.6803 17.6803 18.0972 18.0972 19.0002 19.0002 k = 0.5000 0.2887 0.2665 ( 2104 PWs) bands (ev): 5.1118 5.1118 5.6927 5.6927 7.2254 7.2254 8.0691 8.0691 10.0514 10.0514 10.7788 10.7788 10.8681 10.8681 10.8768 10.8768 11.2379 11.2379 11.5357 11.5357 11.7615 11.7615 12.0009 12.0009 12.2389 12.2389 12.3707 12.3707 12.4704 12.4704 12.5446 12.5446 12.9136 12.9136 13.1624 13.1624 13.2150 13.2150 13.3140 13.3140 13.5903 13.5903 13.6015 13.6015 13.9658 13.9658 14.0346 14.0346 15.0738 15.0738 16.8639 16.8639 17.6312 17.6312 18.0790 18.0790 18.8589 18.8589 k = 0.5000 0.2887 0.2544 ( 2104 PWs) bands (ev): 5.0694 5.0694 5.6812 5.6812 7.2497 7.2497 8.1556 8.1556 10.0284 10.0284 10.8062 10.8062 10.8751 10.8751 10.8866 10.8866 11.2074 11.2074 11.5206 11.5206 11.7829 11.7829 12.0266 12.0266 12.2115 12.2115 12.3628 12.3628 12.4755 12.4755 12.5367 12.5367 12.8979 12.8979 13.1695 13.1695 13.2244 13.2244 13.3187 13.3187 13.5859 13.5859 13.6007 13.6007 13.9655 13.9655 14.0494 14.0494 15.0035 15.0035 16.9672 16.9672 17.5750 17.5750 18.0479 18.0479 18.7299 18.7299 k = 0.5000 0.2887 0.2423 ( 2108 PWs) bands (ev): 5.0282 5.0282 5.6664 5.6664 7.2786 7.2786 8.2436 8.2436 10.0085 10.0085 10.8294 10.8294 10.8826 10.8826 10.8978 10.8978 11.1762 11.1762 11.5066 11.5066 11.8041 11.8041 12.0508 12.0508 12.1845 12.1845 12.3539 12.3539 12.4810 12.4810 12.5280 12.5280 12.8843 12.8843 13.1767 13.1767 13.2335 13.2335 13.3214 13.3214 13.5814 13.5814 13.6002 13.6002 13.9646 13.9646 14.0652 14.0652 14.9354 14.9354 17.0711 17.0711 17.5109 17.5109 18.0032 18.0032 18.6145 18.6145 k = 0.5000 0.2887 0.2302 ( 2104 PWs) bands (ev): 4.9883 4.9883 5.6489 5.6489 7.3112 7.3112 8.3331 8.3331 9.9917 9.9917 10.8485 10.8485 10.8904 10.8904 10.9101 10.9101 11.1446 11.1446 11.4940 11.4940 11.8254 11.8254 12.0712 12.0712 12.1605 12.1605 12.3437 12.3437 12.4859 12.4859 12.5202 12.5202 12.8728 12.8728 13.1838 13.1838 13.2420 13.2420 13.3224 13.3224 13.5767 13.5767 13.6003 13.6003 13.9633 13.9633 14.0819 14.0819 14.8699 14.8699 17.1752 17.1752 17.4385 17.4385 17.9455 17.9455 18.5136 18.5136 k = 0.5000 0.2887 0.2180 ( 2096 PWs) bands (ev): 4.9498 4.9498 5.6294 5.6294 7.3467 7.3467 8.4237 8.4237 9.9783 9.9783 10.8639 10.8639 10.8986 10.8986 10.9226 10.9226 11.1125 11.1125 11.4829 11.4829 11.8468 11.8468 12.0800 12.0800 12.1471 12.1471 12.3324 12.3324 12.4872 12.4872 12.5162 12.5162 12.8636 12.8636 13.1902 13.1902 13.2500 13.2500 13.3220 13.3220 13.5719 13.5719 13.6007 13.6007 13.9614 13.9614 14.0994 14.0994 14.8068 14.8068 17.2775 17.2775 17.3599 17.3599 17.8764 17.8764 18.4273 18.4273 k = 0.5000 0.2887 0.2059 ( 2096 PWs) bands (ev): 4.9128 4.9128 5.6085 5.6085 7.3841 7.3841 8.5152 8.5152 9.9685 9.9685 10.8760 10.8760 10.9070 10.9070 10.9338 10.9338 11.0798 11.0798 11.4732 11.4732 11.8685 11.8685 12.0676 12.0676 12.1535 12.1535 12.3202 12.3202 12.4823 12.4823 12.5189 12.5189 12.8565 12.8565 13.1956 13.1956 13.2572 13.2572 13.3210 13.3210 13.5670 13.5670 13.6015 13.6015 13.9588 13.9588 14.1173 14.1173 14.7463 14.7463 17.2657 17.2657 17.3881 17.3881 17.7983 17.7983 18.3547 18.3547 k = 0.5000 0.2887 0.1938 ( 2100 PWs) bands (ev): 4.8775 4.8775 5.5867 5.5867 7.4226 7.4226 8.6072 8.6072 9.9623 9.9623 10.8858 10.8858 10.9153 10.9153 10.9428 10.9428 11.0465 11.0465 11.4650 11.4650 11.8906 11.8906 12.0431 12.0431 12.1705 12.1705 12.3074 12.3074 12.4736 12.4736 12.5258 12.5258 12.8514 12.8514 13.1995 13.1995 13.2635 13.2635 13.3197 13.3197 13.5619 13.5619 13.6027 13.6027 13.9554 13.9554 14.1352 14.1352 14.6885 14.6885 17.1731 17.1731 17.4908 17.4908 17.7145 17.7145 18.2945 18.2945 k = 0.5000 0.2887 0.1817 ( 2098 PWs) bands (ev): 4.8440 4.8440 5.5646 5.5646 7.4615 7.4615 8.6995 8.6995 9.9601 9.9601 10.8933 10.8933 10.9234 10.9234 10.9490 10.9490 11.0128 11.0128 11.4585 11.4585 11.9130 11.9130 12.0151 12.0151 12.1892 12.1892 12.2947 12.2947 12.4641 12.4641 12.5346 12.5346 12.8483 12.8483 13.2017 13.2017 13.2689 13.2689 13.3191 13.3191 13.5568 13.5568 13.6044 13.6044 13.9515 13.9515 14.1534 14.1534 14.6335 14.6335 17.0757 17.0757 17.5864 17.5864 17.6349 17.6349 18.2450 18.2450 k = 0.5000 0.2887 0.1696 ( 2094 PWs) bands (ev): 4.8123 4.8123 5.5425 5.5425 7.5002 7.5002 8.7917 8.7917 9.9618 9.9618 10.8980 10.8980 10.9301 10.9301 10.9519 10.9519 10.9807 10.9807 11.4537 11.4537 11.9350 11.9350 11.9869 11.9869 12.2058 12.2058 12.2829 12.2829 12.4554 12.4554 12.5441 12.5441 12.8471 12.8471 13.2016 13.2016 13.2732 13.2732 13.3194 13.3194 13.5515 13.5515 13.6070 13.6070 13.9470 13.9470 14.1714 14.1714 14.5814 14.5814 16.9767 16.9767 17.5325 17.5325 17.7030 17.7030 18.2045 18.2045 k = 0.5000 0.2887 0.1575 ( 2092 PWs) bands (ev): 4.7825 4.7825 5.5207 5.5207 7.5380 7.5380 8.8835 8.8835 9.9675 9.9675 10.8986 10.8986 10.9257 10.9257 10.9503 10.9503 10.9619 10.9619 11.4508 11.4508 11.9444 11.9444 11.9716 11.9716 12.2168 12.2168 12.2748 12.2748 12.4483 12.4483 12.5536 12.5536 12.8475 12.8475 13.1994 13.1994 13.2767 13.2767 13.3207 13.3207 13.5461 13.5461 13.6098 13.6098 13.9415 13.9415 14.1889 14.1889 14.5323 14.5323 16.8780 16.8780 17.4448 17.4448 17.8045 17.8045 18.1712 18.1712 k = 0.5000 0.2887 0.1454 ( 2096 PWs) bands (ev): 4.7547 4.7547 5.4997 5.4997 7.5743 7.5743 8.9745 8.9745 9.9773 9.9773 10.8906 10.8906 10.8998 10.8998 10.9543 10.9543 10.9610 10.9610 11.4497 11.4497 11.9202 11.9202 11.9904 11.9904 12.2183 12.2183 12.2731 12.2731 12.4437 12.4437 12.5628 12.5628 12.8491 12.8491 13.1952 13.1952 13.2795 13.2795 13.3229 13.3229 13.5404 13.5404 13.6132 13.6132 13.9352 13.9352 14.2057 14.2057 14.4864 14.4864 16.7814 16.7814 17.3586 17.3586 17.9054 17.9054 18.1439 18.1439 k = 0.5000 0.2887 0.1332 ( 2096 PWs) bands (ev): 4.7289 4.7289 5.4796 5.4796 7.6089 7.6089 9.0644 9.0644 9.9911 9.9911 10.8579 10.8579 10.8855 10.8855 10.9615 10.9615 10.9635 10.9635 11.4507 11.4507 11.8908 11.8908 12.0150 12.0150 12.2111 12.2111 12.2767 12.2767 12.4424 12.4424 12.5712 12.5712 12.8519 12.8519 13.1895 13.1895 13.2817 13.2817 13.3257 13.3257 13.5347 13.5347 13.6173 13.6173 13.9282 13.9282 14.2218 14.2218 14.4437 14.4437 16.6883 16.6883 17.2757 17.2757 18.0044 18.0044 18.1215 18.1215 k = 0.5000 0.2887 0.1211 ( 2094 PWs) bands (ev): 4.7053 4.7053 5.4607 5.4607 7.6413 7.6413 9.1525 9.1525 10.0089 10.0089 10.8194 10.8194 10.8690 10.8690 10.9669 10.9669 10.9694 10.9694 11.4536 11.4536 11.8609 11.8609 12.0406 12.0406 12.2000 12.2000 12.2807 12.2807 12.4449 12.4449 12.5787 12.5787 12.8557 12.8557 13.1830 13.1830 13.2834 13.2834 13.3287 13.3287 13.5289 13.5289 13.6220 13.6220 13.9204 13.9204 14.2370 14.2370 14.4044 14.4044 16.6000 16.6000 17.1974 17.1974 18.0953 18.0953 18.1085 18.1085 k = 0.5000 0.2887 0.1090 ( 2088 PWs) bands (ev): 4.6837 4.6837 5.4431 5.4431 7.6711 7.6711 9.2384 9.2384 10.0305 10.0305 10.7795 10.7795 10.8476 10.8476 10.9714 10.9714 10.9769 10.9769 11.4585 11.4585 11.8313 11.8313 12.0664 12.0664 12.1877 12.1877 12.2826 12.2826 12.4511 12.4511 12.5848 12.5848 12.8601 12.8601 13.1762 13.1762 13.2845 13.2845 13.3317 13.3317 13.5231 13.5231 13.6272 13.6272 13.9121 13.9121 14.2508 14.2508 14.3688 14.3688 16.5176 16.5176 17.1246 17.1246 18.0867 18.0867 18.1950 18.1950 k = 0.5000 0.2887 0.0969 ( 2080 PWs) bands (ev): 4.6643 4.6643 5.4270 5.4270 7.6982 7.6982 9.3213 9.3213 10.0558 10.0558 10.7385 10.7385 10.8221 10.8221 10.9757 10.9757 10.9841 10.9841 11.4657 11.4657 11.8019 11.8019 12.0918 12.0918 12.1755 12.1755 12.2822 12.2822 12.4601 12.4601 12.5895 12.5895 12.8650 12.8650 13.1695 13.1695 13.2850 13.2850 13.3345 13.3345 13.5174 13.5174 13.6332 13.6332 13.9032 13.9032 14.2633 14.2633 14.3370 14.3370 16.4418 16.4418 17.0578 17.0578 18.0741 18.0741 18.2837 18.2837 k = 0.5000 0.2887 0.0848 ( 2084 PWs) bands (ev): 4.6472 4.6472 5.4125 5.4125 7.7223 7.7223 9.4003 9.4003 10.0843 10.0843 10.6965 10.6965 10.7934 10.7934 10.9798 10.9798 10.9907 10.9907 11.4747 11.4747 11.7731 11.7731 12.1162 12.1162 12.1642 12.1642 12.2795 12.2795 12.4709 12.4709 12.5924 12.5924 12.8700 12.8700 13.1634 13.1634 13.2849 13.2849 13.3370 13.3370 13.5120 13.5120 13.6396 13.6396 13.8939 13.8939 14.2732 14.2732 14.3099 14.3099 16.3733 16.3733 16.9977 16.9977 18.0637 18.0637 18.3673 18.3673 k = 0.5000 0.2887 0.0727 ( 2080 PWs) bands (ev): 4.6322 4.6322 5.3998 5.3998 7.7434 7.7434 9.4745 9.4745 10.1157 10.1157 10.6539 10.6539 10.7629 10.7629 10.9834 10.9834 10.9966 10.9966 11.4856 11.4856 11.7450 11.7450 12.1371 12.1371 12.1564 12.1564 12.2757 12.2757 12.4824 12.4824 12.5936 12.5936 12.8750 12.8750 13.1580 13.1580 13.2843 13.2843 13.3392 13.3392 13.5070 13.5070 13.6463 13.6463 13.8845 13.8845 14.2731 14.2731 14.2956 14.2956 16.3128 16.3128 16.9448 16.9448 18.0551 18.0551 18.4442 18.4442 k = 0.5000 0.2887 0.0606 ( 2090 PWs) bands (ev): 4.6195 4.6195 5.3889 5.3889 7.7612 7.7612 9.5424 9.5424 10.1495 10.1495 10.6109 10.6109 10.7317 10.7317 10.9863 10.9863 11.0018 11.0018 11.4981 11.4981 11.7174 11.7174 12.1399 12.1399 12.1660 12.1660 12.2712 12.2712 12.4937 12.4937 12.5932 12.5932 12.8796 12.8796 13.1535 13.1535 13.2832 13.2832 13.3410 13.3410 13.5025 13.5025 13.6530 13.6530 13.8751 13.8751 14.2569 14.2569 14.2991 14.2991 16.2608 16.2608 16.8995 16.8995 18.0482 18.0482 18.5132 18.5132 k = 0.5000 0.2887 0.0485 ( 2084 PWs) bands (ev): 4.6092 4.6092 5.3799 5.3799 7.7759 7.7759 9.6025 9.6025 10.1852 10.1852 10.5681 10.5681 10.7017 10.7017 10.9889 10.9889 11.0062 11.0062 11.5126 11.5126 11.6910 11.6910 12.1336 12.1336 12.1845 12.1845 12.2668 12.2668 12.5043 12.5043 12.5916 12.5916 12.8837 12.8837 13.1501 13.1501 13.2819 13.2819 13.3426 13.3426 13.4986 13.4986 13.6596 13.6596 13.8664 13.8664 14.2406 14.2406 14.3054 14.3054 16.2177 16.2177 16.8620 16.8620 18.0428 18.0428 18.5727 18.5727 k = 0.5000 0.2887 0.0363 ( 2084 PWs) bands (ev): 4.6010 4.6010 5.3728 5.3728 7.7873 7.7873 9.6529 9.6529 10.2215 10.2215 10.5264 10.5264 10.6748 10.6748 10.9908 10.9908 11.0098 11.0098 11.5285 11.5285 11.6658 11.6658 12.1277 12.1277 12.2008 12.2008 12.2625 12.2625 12.5134 12.5134 12.5892 12.5892 12.8871 12.8871 13.1477 13.1477 13.2807 13.2807 13.3437 13.3437 13.4954 13.4954 13.6656 13.6656 13.8587 13.8587 14.2274 14.2274 14.3108 14.3108 16.1838 16.1838 16.8326 16.8326 18.0388 18.0388 18.6212 18.6212 k = 0.5000 0.2887 0.0242 ( 2080 PWs) bands (ev): 4.5953 4.5953 5.3678 5.3678 7.7955 7.7955 9.6912 9.6912 10.2565 10.2565 10.4877 10.4877 10.6531 10.6531 10.9924 10.9924 11.0123 11.0123 11.5455 11.5455 11.6422 11.6422 12.1233 12.1233 12.2139 12.2139 12.2586 12.2586 12.5205 12.5205 12.5866 12.5866 12.8899 12.8899 13.1461 13.1461 13.2796 13.2796 13.3444 13.3444 13.4931 13.4931 13.6704 13.6704 13.8526 13.8526 14.2179 14.2179 14.3149 14.3149 16.1594 16.1594 16.8115 16.8115 18.0359 18.0359 18.6571 18.6571 k = 0.5000 0.2887 0.0121 ( 2076 PWs) bands (ev): 4.5918 4.5918 5.3647 5.3647 7.8004 7.8004 9.7153 9.7153 10.2855 10.2855 10.4566 10.4566 10.6391 10.6391 10.9932 10.9932 11.0139 11.0139 11.5620 11.5620 11.6218 11.6218 12.1206 12.1206 12.2227 12.2227 12.2556 12.2556 12.5252 12.5252 12.5845 12.5845 12.8915 12.8915 13.1452 13.1452 13.2788 13.2788 13.3449 13.3449 13.4918 13.4918 13.6736 13.6736 13.8487 13.8487 14.2121 14.2121 14.3174 14.3174 16.1447 16.1447 16.7987 16.7987 18.0343 18.0343 18.6792 18.6792 k = 0.5000 0.2887-0.0000 ( 2066 PWs) bands (ev): 4.5906 4.5906 5.3637 5.3637 7.8020 7.8020 9.7237 9.7237 10.2980 10.2980 10.4435 10.4435 10.6341 10.6341 10.9935 10.9935 11.0144 11.0144 11.5710 11.5710 11.6117 11.6117 12.1199 12.1199 12.2260 12.2260 12.2545 12.2545 12.5268 12.5268 12.5838 12.5838 12.8920 12.8920 13.1449 13.1449 13.2787 13.2787 13.3451 13.3451 13.4915 13.4915 13.6747 13.6747 13.8473 13.8473 14.2103 14.2103 14.3183 14.3183 16.1398 16.1398 16.7945 16.7945 18.0339 18.0339 18.6867 18.6867 k = 0.3333 0.5774-0.0000 ( 2082 PWs) bands (ev): 5.3484 5.3484 5.3486 5.3486 7.5422 7.5422 9.4488 9.4488 9.4670 9.4670 10.4417 10.4417 10.4582 10.4582 10.5496 10.5496 11.5773 11.5773 11.7310 11.7310 11.9774 11.9774 12.0306 12.0306 12.3298 12.3298 12.4804 12.4804 12.6348 12.6348 12.7710 12.7710 12.8204 12.8204 12.8532 12.8532 13.0287 13.0287 13.2161 13.2161 13.2973 13.2973 13.5504 13.5504 13.6397 13.6397 14.3074 14.3074 15.3916 15.3916 15.4848 15.4848 16.4230 16.4230 16.4863 16.4863 19.3444 19.3444 k = 0.3333 0.5774 0.0121 ( 2082 PWs) bands (ev): 5.3494 5.3494 5.3496 5.3496 7.5435 7.5435 9.4441 9.4441 9.4621 9.4621 10.4441 10.4441 10.4604 10.4604 10.5469 10.5469 11.5772 11.5772 11.7308 11.7308 11.9775 11.9775 12.0306 12.0306 12.3299 12.3299 12.4791 12.4791 12.6322 12.6322 12.7734 12.7734 12.8216 12.8216 12.8527 12.8527 13.0296 13.0296 13.2168 13.2168 13.2980 13.2980 13.5507 13.5507 13.6399 13.6399 14.3068 14.3068 15.3870 15.3870 15.4791 15.4791 16.4330 16.4330 16.4952 16.4952 19.3493 19.3493 k = 0.3333 0.5774 0.0242 ( 2082 PWs) bands (ev): 5.3523 5.3523 5.3525 5.3525 7.5476 7.5476 9.4303 9.4303 9.4479 9.4479 10.4512 10.4512 10.4669 10.4669 10.5390 10.5390 11.5771 11.5771 11.7305 11.7305 11.9777 11.9777 12.0307 12.0307 12.3303 12.3303 12.4751 12.4751 12.6250 12.6250 12.7798 12.7798 12.8249 12.8249 12.8511 12.8511 13.0325 13.0325 13.2191 13.2191 13.3001 13.3001 13.5513 13.5513 13.6403 13.6403 14.3051 14.3051 15.3734 15.3734 15.4627 15.4627 16.4621 16.4621 16.5216 16.5216 19.3639 19.3639 k = 0.3333 0.5774 0.0363 ( 2082 PWs) bands (ev): 5.3571 5.3571 5.3573 5.3573 7.5543 7.5543 9.4077 9.4077 9.4246 9.4246 10.4626 10.4626 10.4773 10.4773 10.5258 10.5258 11.5767 11.5767 11.7298 11.7298 11.9779 11.9779 12.0308 12.0308 12.3310 12.3310 12.4689 12.4689 12.6144 12.6144 12.7893 12.7893 12.8302 12.8302 12.8485 12.8485 13.0373 13.0373 13.2227 13.2227 13.3036 13.3036 13.5524 13.5524 13.6409 13.6409 14.3021 14.3021 15.3521 15.3521 15.4374 15.4374 16.5086 16.5086 16.5641 16.5641 19.3881 19.3881 k = 0.3333 0.5774 0.0485 ( 2082 PWs) bands (ev): 5.3639 5.3639 5.3641 5.3641 7.5637 7.5637 9.3771 9.3771 9.3933 9.3933 10.4775 10.4775 10.4907 10.4907 10.5077 10.5077 11.5763 11.5763 11.7289 11.7289 11.9782 11.9782 12.0309 12.0309 12.3320 12.3320 12.4606 12.4606 12.6015 12.6015 12.8003 12.8003 12.8373 12.8373 12.8454 12.8454 13.0440 13.0440 13.2278 13.2278 13.3084 13.3084 13.5539 13.5539 13.6418 13.6418 14.2979 14.2979 15.3248 15.3248 15.4055 15.4055 16.5701 16.5701 16.6211 16.6211 19.4220 19.4220 k = 0.3333 0.5774 0.0606 ( 2076 PWs) bands (ev): 5.3726 5.3726 5.3728 5.3728 7.5758 7.5758 9.3394 9.3394 9.3548 9.3548 10.4837 10.4837 10.4952 10.4952 10.5078 10.5078 11.5758 11.5758 11.7278 11.7278 11.9785 11.9785 12.0310 12.0310 12.3332 12.3332 12.4509 12.4509 12.5874 12.5874 12.8112 12.8112 12.8427 12.8427 12.8459 12.8459 13.0525 13.0525 13.2342 13.2342 13.3144 13.3144 13.5557 13.5557 13.6429 13.6429 14.2926 14.2926 15.2930 15.2930 15.3690 15.3690 16.6445 16.6445 16.6909 16.6909 19.4652 19.4652 k = 0.3333 0.5774 0.0727 ( 2079 PWs) bands (ev): 5.3832 5.3832 5.3833 5.3833 7.5905 7.5905 9.2954 9.2954 9.3099 9.3099 10.4556 10.4556 10.5149 10.5149 10.5259 10.5259 11.5752 11.5752 11.7263 11.7263 11.9785 11.9785 12.0308 12.0308 12.3347 12.3347 12.4397 12.4397 12.5725 12.5725 12.8182 12.8182 12.8435 12.8435 12.8554 12.8554 13.0625 13.0625 13.2418 13.2418 13.3216 13.3216 13.5578 13.5578 13.6441 13.6441 14.2860 14.2860 15.2582 15.2582 15.3298 15.3298 16.7298 16.7298 16.7719 16.7719 19.5178 19.5178 k = 0.3333 0.5774 0.0848 ( 2067 PWs) bands (ev): 5.3955 5.3955 5.3956 5.3956 7.6079 7.6079 9.2461 9.2461 9.2598 9.2598 10.4229 10.4229 10.5360 10.5360 10.5456 10.5456 11.5745 11.5745 11.7247 11.7247 11.9785 11.9785 12.0306 12.0306 12.3366 12.3366 12.4279 12.4279 12.5576 12.5576 12.8176 12.8176 12.8518 12.8518 12.8661 12.8661 13.0744 13.0744 13.2506 13.2506 13.3298 13.3298 13.5603 13.5603 13.6457 13.6457 14.2782 14.2782 15.2218 15.2218 15.2892 15.2892 16.8245 16.8245 16.8627 16.8627 19.5793 19.5793 k = 0.3333 0.5774 0.0969 ( 2076 PWs) bands (ev): 5.4096 5.4096 5.4097 5.4097 7.6279 7.6279 9.1922 9.1922 9.2051 9.2051 10.3855 10.3855 10.5578 10.5578 10.5659 10.5659 11.5738 11.5738 11.7226 11.7226 11.9780 11.9780 12.0298 12.0298 12.3384 12.3384 12.4154 12.4154 12.5428 12.5428 12.8121 12.8121 12.8644 12.8644 12.8773 12.8773 13.0878 13.0878 13.2603 13.2603 13.3388 13.3388 13.5627 13.5627 13.6470 13.6470 14.2689 14.2689 15.1845 15.1845 15.2483 15.2483 16.9275 16.9275 16.9622 16.9622 19.6496 19.6496 k = 0.3333 0.5774 0.1090 ( 2070 PWs) bands (ev): 5.4255 5.4255 5.4255 5.4255 7.6506 7.6506 9.1346 9.1346 9.1469 9.1469 10.3437 10.3437 10.5799 10.5799 10.5865 10.5865 11.5729 11.5729 11.7204 11.7204 11.9772 11.9772 12.0288 12.0288 12.3406 12.3406 12.4028 12.4028 12.5286 12.5286 12.8046 12.8046 12.8789 12.8789 12.8894 12.8894 13.1028 13.1028 13.2708 13.2708 13.3486 13.3486 13.5651 13.5651 13.6483 13.6483 14.2588 14.2588 15.1471 15.1471 15.2077 15.2077 17.0378 17.0378 17.0694 17.0694 19.7284 19.7284 k = 0.3333 0.5774 0.1211 ( 2073 PWs) bands (ev): 5.4429 5.4429 5.4430 5.4430 7.6758 7.6758 9.0739 9.0739 9.0856 9.0856 10.2979 10.2979 10.6018 10.6018 10.6071 10.6071 11.5721 11.5721 11.7180 11.7180 11.9759 11.9759 12.0273 12.0273 12.3429 12.3429 12.3901 12.3901 12.5149 12.5149 12.7960 12.7960 12.8940 12.8940 12.9019 12.9019 13.1192 13.1192 13.2821 13.2821 13.3590 13.3590 13.5676 13.5676 13.6496 13.6496 14.2471 14.2471 15.1101 15.1101 15.1679 15.1679 17.1548 17.1548 17.1838 17.1838 19.8154 19.8154 k = 0.3333 0.5774 0.1332 ( 2076 PWs) bands (ev): 5.4619 5.4619 5.4620 5.4620 7.7036 7.7036 9.0109 9.0109 9.0220 9.0220 10.2484 10.2484 10.6233 10.6233 10.6272 10.6272 11.5711 11.5711 11.7153 11.7153 11.9741 11.9741 12.0254 12.0254 12.3452 12.3452 12.3776 12.3776 12.5021 12.5021 12.7868 12.7868 12.9095 12.9095 12.9148 12.9148 13.1369 13.1369 13.2938 13.2938 13.3698 13.3698 13.5699 13.5699 13.6507 13.6507 14.2342 14.2342 15.0741 15.0741 15.1293 15.1293 17.2780 17.2780 17.3046 17.3046 19.9105 19.9105 k = 0.3333 0.5774 0.1454 ( 2094 PWs) bands (ev): 5.4823 5.4823 5.4825 5.4825 7.7339 7.7339 8.9459 8.9459 8.9566 8.9566 10.1952 10.1952 10.6441 10.6441 10.6468 10.6468 11.5702 11.5702 11.7124 11.7124 11.9716 11.9716 12.0229 12.0229 12.3474 12.3474 12.3653 12.3653 12.4902 12.4902 12.7769 12.7769 12.9253 12.9253 12.9280 12.9280 13.1558 13.1558 13.3058 13.3058 13.3809 13.3809 13.5717 13.5717 13.6514 13.6514 14.2199 14.2199 15.0392 15.0392 15.0921 15.0921 17.4068 17.4068 17.4314 17.4314 20.0132 20.0132 k = 0.3333 0.5774 0.1575 ( 2094 PWs) bands (ev): 5.5041 5.5041 5.5044 5.5044 7.7667 7.7667 8.8798 8.8798 8.8900 8.8900 10.1390 10.1390 10.6641 10.6641 10.6657 10.6657 11.5693 11.5693 11.7093 11.7093 11.9688 11.9688 12.0202 12.0202 12.3498 12.3498 12.3535 12.3535 12.4795 12.4795 12.7667 12.7667 12.9417 12.9417 12.9418 12.9418 13.1761 13.1761 13.3180 13.3180 13.3922 13.3922 13.5736 13.5736 13.6521 13.6521 14.2044 14.2044 15.0057 15.0057 15.0565 15.0565 17.5410 17.5410 17.5637 17.5637 20.1232 20.1232 k = 0.3333 0.5774 0.1696 ( 2094 PWs) bands (ev): 5.5271 5.5271 5.5275 5.5275 7.8020 7.8020 8.8128 8.8128 8.8228 8.8228 10.0798 10.0798 10.6833 10.6833 10.6838 10.6838 11.5685 11.5685 11.7060 11.7060 11.9654 11.9654 12.0170 12.0170 12.3420 12.3420 12.3520 12.3520 12.4701 12.4701 12.7562 12.7562 12.9561 12.9561 12.9585 12.9585 13.1976 13.1976 13.3302 13.3302 13.4036 13.4036 13.5751 13.5751 13.6525 13.6525 14.1877 14.1877 14.9737 14.9737 15.0227 15.0227 17.6801 17.6801 17.7012 17.7012 20.2403 20.2403 k = 0.3333 0.5774 0.1817 ( 2088 PWs) bands (ev): 5.5513 5.5513 5.5517 5.5517 7.8397 7.8397 8.7455 8.7455 8.7553 8.7553 10.0179 10.0179 10.7012 10.7012 10.7015 10.7015 11.5678 11.5678 11.7025 11.7025 11.9617 11.9617 12.0135 12.0135 12.3311 12.3311 12.3539 12.3539 12.4623 12.4623 12.7454 12.7454 12.9708 12.9708 12.9756 12.9756 13.2203 13.2203 13.3422 13.3422 13.4149 13.4149 13.5762 13.5762 13.6527 13.6527 14.1697 14.1697 14.9432 14.9432 14.9906 14.9906 17.8239 17.8239 17.8435 17.8435 20.3641 20.3641 k = 0.3333 0.5774 0.1938 ( 2088 PWs) bands (ev): 5.5763 5.5763 5.5769 5.5769 7.8798 7.8798 8.6784 8.6784 8.6880 8.6880 9.9536 9.9536 10.7174 10.7174 10.7185 10.7185 11.5671 11.5671 11.6989 11.6989 11.9575 11.9575 12.0097 12.0097 12.3207 12.3207 12.3552 12.3552 12.4561 12.4561 12.7345 12.7345 12.9857 12.9857 12.9929 12.9929 13.2439 13.2439 13.3539 13.3539 13.4261 13.4261 13.5770 13.5770 13.6527 13.6527 14.1505 14.1505 14.9145 14.9145 14.9603 14.9603 17.9719 17.9719 17.9902 17.9902 20.4942 20.4942 k = 0.3333 0.5774 0.2059 ( 2085 PWs) bands (ev): 5.6022 5.6022 5.6028 5.6028 7.9223 7.9223 8.6119 8.6119 8.6213 8.6213 9.8873 9.8873 10.7327 10.7327 10.7346 10.7346 11.5665 11.5665 11.6953 11.6953 11.9529 11.9529 12.0058 12.0058 12.3106 12.3106 12.3556 12.3556 12.4517 12.4517 12.7235 12.7235 13.0011 13.0011 13.0106 13.0106 13.2685 13.2685 13.3651 13.3651 13.4368 13.4368 13.5772 13.5772 13.6522 13.6522 14.1302 14.1302 14.8874 14.8874 14.9319 14.9319 18.1240 18.1240 18.1410 18.1410 20.6304 20.6304 k = 0.3333 0.5774 0.2180 ( 2088 PWs) bands (ev): 5.6285 5.6285 5.6293 5.6293 7.9670 7.9670 8.5465 8.5465 8.5558 8.5558 9.8191 9.8191 10.7470 10.7470 10.7495 10.7495 11.5659 11.5659 11.6915 11.6915 11.9481 11.9481 12.0017 12.0017 12.3010 12.3010 12.3552 12.3552 12.4491 12.4491 12.7123 12.7123 13.0166 13.0166 13.0284 13.0284 13.2937 13.2937 13.3756 13.3756 13.4472 13.4472 13.5768 13.5768 13.6515 13.6515 14.1088 14.1088 14.8621 14.8621 14.9053 14.9053 18.2798 18.2798 18.2957 18.2957 20.7723 20.7723 k = 0.3333 0.5774 0.2302 ( 2088 PWs) bands (ev): 5.6553 5.6553 5.6561 5.6561 8.0140 8.0140 8.4825 8.4825 8.4918 8.4918 9.7493 9.7493 10.7602 10.7602 10.7633 10.7633 11.5656 11.5656 11.6877 11.6877 11.9432 11.9432 11.9976 11.9976 12.2919 12.2919 12.3539 12.3539 12.4485 12.4485 12.7011 12.7011 13.0324 13.0324 13.0463 13.0463 13.3199 13.3199 13.3853 13.3853 13.4570 13.4570 13.5760 13.5760 13.6505 13.6505 14.0863 14.0863 14.8385 14.8385 14.8806 14.8806 18.4389 18.4389 18.4537 18.4537 20.9196 20.9196 k = 0.3333 0.5774 0.2423 ( 2088 PWs) bands (ev): 5.6821 5.6821 5.6831 5.6831 8.0632 8.0632 8.4205 8.4205 8.4297 8.4297 9.6782 9.6782 10.7725 10.7725 10.7761 10.7761 11.5653 11.5653 11.6840 11.6840 11.9382 11.9382 11.9936 11.9936 12.2832 12.2832 12.3517 12.3517 12.4497 12.4497 12.6899 12.6899 13.0482 13.0482 13.0641 13.0641 13.3466 13.3466 13.3942 13.3942 13.4663 13.4663 13.5748 13.5748 13.6493 13.6493 14.0629 14.0629 14.8167 14.8167 14.8577 14.8577 18.6012 18.6012 18.6149 18.6149 21.0718 21.0718 k = 0.3333 0.5774 0.2544 ( 2094 PWs) bands (ev): 5.7087 5.7087 5.7098 5.7098 8.1146 8.1146 8.3609 8.3609 8.3701 8.3701 9.6059 9.6059 10.7837 10.7837 10.7876 10.7876 11.5650 11.5650 11.6802 11.6802 11.9332 11.9332 11.9896 11.9896 12.2750 12.2750 12.3488 12.3488 12.4524 12.4524 12.6787 12.6787 13.0639 13.0639 13.0818 13.0818 13.3739 13.3739 13.4020 13.4020 13.4747 13.4747 13.5733 13.5733 13.6478 13.6478 14.0384 14.0384 14.7967 14.7967 14.8367 14.8367 18.7662 18.7662 18.7788 18.7788 21.2287 21.2287 k = 0.3333 0.5774 0.2665 ( 2094 PWs) bands (ev): 5.7348 5.7348 5.7360 5.7360 8.1680 8.1680 8.3042 8.3042 8.3134 8.3134 9.5329 9.5329 10.7939 10.7939 10.7982 10.7982 11.5650 11.5650 11.6766 11.6766 11.9284 11.9284 11.9860 11.9860 12.2674 12.2674 12.3455 12.3455 12.4565 12.4565 12.6675 12.6675 13.0794 13.0794 13.0992 13.0992 13.4014 13.4014 13.4088 13.4088 13.4825 13.4825 13.5717 13.5717 13.6463 13.6463 14.0132 14.0132 14.7784 14.7784 14.8176 14.8176 18.9335 18.9335 18.9451 18.9451 21.3896 21.3896 k = 0.3333 0.5774 0.2786 ( 2094 PWs) bands (ev): 5.7600 5.7600 5.7614 5.7614 8.2232 8.2232 8.2511 8.2511 8.2600 8.2600 9.4592 9.4592 10.8032 10.8032 10.8077 10.8077 11.5650 11.5650 11.6731 11.6731 11.9238 11.9238 11.9825 11.9825 12.2603 12.2603 12.3421 12.3421 12.4616 12.4616 12.6565 12.6565 13.0946 13.0946 13.1161 13.1161 13.4145 13.4145 13.4288 13.4288 13.4894 13.4894 13.5703 13.5703 13.6448 13.6448 13.9871 13.9871 14.7619 14.7619 14.8003 14.8003 19.1028 19.1028 19.1132 19.1132 21.5542 21.5542 k = 0.3333 0.5774 0.2907 ( 2088 PWs) bands (ev): 5.7841 5.7841 5.7857 5.7857 8.2010 8.2010 8.2105 8.2105 8.2810 8.2810 9.3851 9.3851 10.8116 10.8116 10.8163 10.8163 11.5652 11.5652 11.6698 11.6698 11.9195 11.9195 11.9794 11.9794 12.2537 12.2537 12.3386 12.3386 12.4677 12.4677 12.6458 12.6458 13.1092 13.1092 13.1323 13.1323 13.4191 13.4191 13.4554 13.4554 13.4959 13.4959 13.5697 13.5697 13.6434 13.6434 13.9602 13.9602 14.7473 14.7473 14.7849 14.7849 19.2735 19.2735 19.2826 19.2826 21.7213 21.7213 k = 0.3333 0.5774 0.3028 ( 2094 PWs) bands (ev): 5.8067 5.8067 5.8084 5.8084 8.1558 8.1558 8.1653 8.1653 8.3402 8.3402 9.3108 9.3108 10.8188 10.8188 10.8237 10.8237 11.5652 11.5652 11.6667 11.6667 11.9155 11.9155 11.9766 11.9766 12.2477 12.2477 12.3351 12.3351 12.4742 12.4742 12.6352 12.6352 13.1230 13.1230 13.1476 13.1476 13.4224 13.4224 13.4788 13.4788 13.5029 13.5029 13.5707 13.5707 13.6420 13.6420 13.9327 13.9327 14.7343 14.7343 14.7713 14.7713 19.4451 19.4451 19.4527 19.4527 21.8511 21.8512 k = 0.3333 0.5774 0.3150 ( 2094 PWs) bands (ev): 5.8273 5.8273 5.8291 5.8291 8.1153 8.1153 8.1249 8.1249 8.4012 8.4012 9.2365 9.2365 10.8251 10.8251 10.8301 10.8301 11.5655 11.5655 11.6639 11.6639 11.9121 11.9121 11.9743 11.9743 12.2425 12.2425 12.3320 12.3320 12.4811 12.4811 12.6250 12.6250 13.1356 13.1356 13.1617 13.1617 13.4249 13.4249 13.4930 13.4930 13.5149 13.5149 13.5753 13.5753 13.6408 13.6408 13.9047 13.9047 14.7231 14.7231 14.7596 14.7596 19.6167 19.6167 19.6226 19.6226 21.7295 21.7295 k = 0.3333 0.5774 0.3271 ( 2100 PWs) bands (ev): 5.8455 5.8455 5.8474 5.8474 8.0800 8.0800 8.0897 8.0897 8.4640 8.4640 9.1624 9.1624 10.8304 10.8304 10.8354 10.8354 11.5657 11.5657 11.6614 11.6614 11.9090 11.9090 11.9722 11.9722 12.2379 12.2379 12.3292 12.3292 12.4882 12.4882 12.6151 12.6151 13.1471 13.1471 13.1744 13.1744 13.4263 13.4263 13.4979 13.4979 13.5289 13.5289 13.5866 13.5866 13.6397 13.6397 13.8763 13.8763 14.7135 14.7135 14.7495 14.7495 19.7872 19.7872 19.7910 19.7910 21.5919 21.5919 k = 0.3333 0.5774 0.3392 ( 2094 PWs) bands (ev): 5.8611 5.8611 5.8631 5.8631 8.0505 8.0505 8.0602 8.0602 8.5283 8.5283 9.0887 9.0887 10.8348 10.8348 10.8399 10.8399 11.5659 11.5659 11.6593 11.6593 11.9065 11.9065 11.9707 11.9707 12.2342 12.2342 12.3269 12.3269 12.4952 12.4952 12.6060 12.6060 13.1570 13.1570 13.1854 13.1854 13.4271 13.4271 13.4994 13.4994 13.5379 13.5379 13.6060 13.6060 13.6389 13.6389 13.8478 13.8478 14.7058 14.7058 14.7414 14.7414 19.9549 19.9549 19.9561 19.9561 21.4488 21.4488 k = 0.3333 0.5774 0.3513 ( 2094 PWs) bands (ev): 5.8736 5.8736 5.8757 5.8757 8.0270 8.0270 8.0368 8.0368 8.5942 8.5942 9.0154 9.0154 10.8382 10.8382 10.8433 10.8433 11.5662 11.5662 11.6576 11.6576 11.9045 11.9045 11.9694 11.9694 12.2312 12.2312 12.3250 12.3250 12.5018 12.5018 12.5978 12.5978 13.1651 13.1651 13.1943 13.1943 13.4274 13.4274 13.4995 13.4995 13.5425 13.5425 13.6304 13.6304 13.6383 13.6383 13.8193 13.8193 14.6998 14.6998 14.7352 14.7352 20.1141 20.1141 20.1166 20.1166 21.3051 21.3051 k = 0.3333 0.5774 0.3634 ( 2094 PWs) bands (ev): 5.8827 5.8827 5.8849 5.8849 8.0100 8.0100 8.0198 8.0198 8.6615 8.6615 8.9428 8.9428 10.8406 10.8406 10.8457 10.8457 11.5663 11.5663 11.6563 11.6563 11.9030 11.9030 11.9684 11.9684 12.2291 12.2291 12.3236 12.3236 12.5073 12.5073 12.5911 12.5911 13.1711 13.1711 13.2010 13.2010 13.4275 13.4275 13.4991 13.4991 13.5448 13.5448 13.6378 13.6378 13.6562 13.6562 13.7917 13.7917 14.6955 14.6955 14.7307 14.7307 20.2575 20.2575 20.2652 20.2652 21.1687 21.1687 k = 0.3333 0.5774 0.3755 ( 2094 PWs) bands (ev): 5.8883 5.8883 5.8905 5.8905 7.9997 7.9997 8.0095 8.0095 8.7300 8.7300 8.8710 8.8710 10.8420 10.8420 10.8472 10.8472 11.5665 11.5665 11.6556 11.6556 11.9022 11.9022 11.9679 11.9679 12.2278 12.2278 12.3228 12.3228 12.5112 12.5112 12.5866 12.5866 13.1748 13.1748 13.2051 13.2051 13.4274 13.4274 13.4986 13.4986 13.5460 13.5460 13.6376 13.6376 13.6799 13.6799 13.7672 13.7672 14.6930 14.6930 14.7280 14.7280 20.3692 20.3692 20.3835 20.3835 21.0575 21.0575 k = 0.3333 0.5774 0.3876 ( 2082 PWs) bands (ev): 5.8902 5.8902 5.8925 5.8925 7.9963 7.9963 8.0061 8.0061 8.7958 8.7958 8.8042 8.8042 10.8426 10.8426 10.8477 10.8477 11.5666 11.5666 11.6554 11.6554 11.9020 11.9020 11.9678 11.9678 12.2275 12.2275 12.3227 12.3227 12.5127 12.5127 12.5850 12.5850 13.1761 13.1761 13.2065 13.2065 13.4274 13.4274 13.4985 13.4985 13.5465 13.5465 13.6376 13.6376 13.6919 13.6919 13.7552 13.7552 14.6922 14.6922 14.7272 14.7272 20.4148 20.4148 20.4332 20.4332 21.0101 21.0101 Writing output data file SiNi2.save init_run : 3.70s CPU 12.98s WALL ( 1 calls) electrons : 781.60s CPU 789.65s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.26s CPU 1.38s WALL ( 1 calls) Called by electrons: c_bands : 781.57s CPU 789.30s WALL ( 1 calls) v_of_rho : 0.04s CPU 0.74s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.03s CPU 0.43s WALL ( 1 calls) newd : 0.41s CPU 0.54s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.05s WALL ( 367 calls) cegterg : 745.30s CPU 750.13s WALL ( 1008 calls) Called by sum_band: Called by *egterg: h_psi : 224.03s CPU 233.17s WALL ( 17814 calls) s_psi : 42.60s CPU 43.55s WALL ( 17814 calls) g_psi : 0.41s CPU 0.52s WALL ( 16439 calls) cdiaghg : 371.51s CPU 367.73s WALL ( 16806 calls) cegterg:over : 66.64s CPU 63.80s WALL ( 16439 calls) cegterg:upda : 7.55s CPU 10.98s WALL ( 16439 calls) cegterg:last : 7.27s CPU 8.14s WALL ( 2476 calls) Called by h_psi: h_psi:vloc : 141.83s CPU 149.93s WALL ( 17814 calls) h_psi:vnl : 82.07s CPU 82.73s WALL ( 17814 calls) add_vuspsi : 28.10s CPU 32.71s WALL ( 17814 calls) General routines calbec : 53.91s CPU 49.87s WALL ( 17814 calls) fft : 0.33s CPU 1.15s WALL ( 19 calls) ffts : 0.02s CPU 0.11s WALL ( 4 calls) fftw : 136.03s CPU 143.00s WALL ( 1751692 calls) interpolate : 0.11s CPU 0.20s WALL ( 4 calls) davcio : 0.03s CPU 0.68s WALL ( 734 calls) Parallel routines fft_scatter : 110.73s CPU 114.01s WALL ( 1751715 calls) PWSCF : 13m49.86s CPU 14m58.88s WALL This run was terminated on: 5:39:55 31Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=