Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:55:40 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./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: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 23 18 5 719 456 77 Max 24 19 6 726 478 82 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: /users/gautes/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: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential 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 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 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 0.0476191 -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 0.2976191 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 0.2545455 -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 0.1515152 -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 0.0545455 -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 0.0476191 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 0.2976191 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 0.2545455 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 0.1515152 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 0.0545455 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 0.11 Mb ( 124, 58) NL pseudopotentials 0.19 Mb ( 62, 204) Each V/rho on FFT grid 0.04 Mb ( 2592) Each G-vector array 0.01 Mb ( 721) G-vector shells 0.00 Mb ( 357) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.44 Mb ( 124, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.36 Mb ( 204, 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 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 3.0 secs Computing kpt #: 3 total cpu time spent up to now is 3.5 secs Computing kpt #: 4 total cpu time spent up to now is 3.9 secs Computing kpt #: 5 total cpu time spent up to now is 4.3 secs Computing kpt #: 6 total cpu time spent up to now is 4.8 secs Computing kpt #: 7 total cpu time spent up to now is 5.3 secs Computing kpt #: 8 total cpu time spent up to now is 5.7 secs Computing kpt #: 9 total cpu time spent up to now is 6.1 secs Computing kpt #: 10 total cpu time spent up to now is 6.6 secs Computing kpt #: 11 total cpu time spent up to now is 7.0 secs Computing kpt #: 12 total cpu time spent up to now is 7.5 secs Computing kpt #: 13 total cpu time spent up to now is 7.9 secs Computing kpt #: 14 total cpu time spent up to now is 8.3 secs Computing kpt #: 15 total cpu time spent up to now is 8.7 secs Computing kpt #: 16 total cpu time spent up to now is 9.1 secs Computing kpt #: 17 total cpu time spent up to now is 9.5 secs Computing kpt #: 18 total cpu time spent up to now is 9.9 secs Computing kpt #: 19 total cpu time spent up to now is 10.3 secs Computing kpt #: 20 total cpu time spent up to now is 10.7 secs Computing kpt #: 21 total cpu time spent up to now is 11.1 secs Computing kpt #: 22 total cpu time spent up to now is 11.5 secs Computing kpt #: 23 total cpu time spent up to now is 11.9 secs Computing kpt #: 24 total cpu time spent up to now is 12.6 secs Computing kpt #: 25 total cpu time spent up to now is 13.0 secs Computing kpt #: 26 total cpu time spent up to now is 13.3 secs Computing kpt #: 27 total cpu time spent up to now is 13.7 secs Computing kpt #: 28 total cpu time spent up to now is 14.1 secs Computing kpt #: 29 total cpu time spent up to now is 14.5 secs Computing kpt #: 30 total cpu time spent up to now is 14.9 secs Computing kpt #: 31 total cpu time spent up to now is 15.2 secs Computing kpt #: 32 total cpu time spent up to now is 15.6 secs Computing kpt #: 33 total cpu time spent up to now is 16.0 secs Computing kpt #: 34 total cpu time spent up to now is 16.4 secs Computing kpt #: 35 total cpu time spent up to now is 16.8 secs Computing kpt #: 36 total cpu time spent up to now is 17.1 secs Computing kpt #: 37 total cpu time spent up to now is 17.5 secs Computing kpt #: 38 total cpu time spent up to now is 17.9 secs Computing kpt #: 39 total cpu time spent up to now is 18.3 secs Computing kpt #: 40 total cpu time spent up to now is 18.6 secs Computing kpt #: 41 total cpu time spent up to now is 19.0 secs Computing kpt #: 42 total cpu time spent up to now is 19.4 secs Computing kpt #: 43 total cpu time spent up to now is 19.7 secs Computing kpt #: 44 total cpu time spent up to now is 20.1 secs Computing kpt #: 45 total cpu time spent up to now is 20.4 secs Computing kpt #: 46 total cpu time spent up to now is 20.8 secs Computing kpt #: 47 total cpu time spent up to now is 21.1 secs Computing kpt #: 48 total cpu time spent up to now is 21.5 secs Computing kpt #: 49 total cpu time spent up to now is 21.9 secs Computing kpt #: 50 total cpu time spent up to now is 22.2 secs Computing kpt #: 51 total cpu time spent up to now is 22.6 secs Computing kpt #: 52 total cpu time spent up to now is 22.9 secs Computing kpt #: 53 total cpu time spent up to now is 23.3 secs Computing kpt #: 54 total cpu time spent up to now is 23.7 secs Computing kpt #: 55 total cpu time spent up to now is 24.1 secs Computing kpt #: 56 total cpu time spent up to now is 24.4 secs Computing kpt #: 57 total cpu time spent up to now is 24.8 secs Computing kpt #: 58 total cpu time spent up to now is 25.2 secs Computing kpt #: 59 total cpu time spent up to now is 25.6 secs Computing kpt #: 60 total cpu time spent up to now is 25.9 secs Computing kpt #: 61 total cpu time spent up to now is 26.3 secs Computing kpt #: 62 total cpu time spent up to now is 26.7 secs Computing kpt #: 63 total cpu time spent up to now is 27.1 secs Computing kpt #: 64 total cpu time spent up to now is 27.6 secs Computing kpt #: 65 total cpu time spent up to now is 28.0 secs Computing kpt #: 66 total cpu time spent up to now is 28.5 secs Computing kpt #: 67 total cpu time spent up to now is 28.9 secs Computing kpt #: 68 total cpu time spent up to now is 29.3 secs Computing kpt #: 69 total cpu time spent up to now is 29.8 secs Computing kpt #: 70 total cpu time spent up to now is 30.2 secs Computing kpt #: 71 total cpu time spent up to now is 30.5 secs Computing kpt #: 72 total cpu time spent up to now is 30.9 secs Computing kpt #: 73 total cpu time spent up to now is 31.3 secs Computing kpt #: 74 total cpu time spent up to now is 31.7 secs Computing kpt #: 75 total cpu time spent up to now is 32.0 secs Computing kpt #: 76 total cpu time spent up to now is 32.4 secs Computing kpt #: 77 total cpu time spent up to now is 32.7 secs Computing kpt #: 78 total cpu time spent up to now is 33.1 secs Computing kpt #: 79 total cpu time spent up to now is 33.4 secs Computing kpt #: 80 total cpu time spent up to now is 33.8 secs Computing kpt #: 81 total cpu time spent up to now is 34.2 secs Computing kpt #: 82 total cpu time spent up to now is 34.5 secs Computing kpt #: 83 total cpu time spent up to now is 34.9 secs Computing kpt #: 84 total cpu time spent up to now is 35.2 secs Computing kpt #: 85 total cpu time spent up to now is 35.6 secs Computing kpt #: 86 total cpu time spent up to now is 35.9 secs Computing kpt #: 87 total cpu time spent up to now is 36.3 secs Computing kpt #: 88 total cpu time spent up to now is 36.7 secs Computing kpt #: 89 total cpu time spent up to now is 37.1 secs Computing kpt #: 90 total cpu time spent up to now is 37.5 secs Computing kpt #: 91 total cpu time spent up to now is 37.8 secs Computing kpt #: 92 total cpu time spent up to now is 38.2 secs Computing kpt #: 93 total cpu time spent up to now is 38.7 secs Computing kpt #: 94 total cpu time spent up to now is 39.1 secs Computing kpt #: 95 total cpu time spent up to now is 39.5 secs Computing kpt #: 96 total cpu time spent up to now is 39.9 secs Computing kpt #: 97 total cpu time spent up to now is 40.4 secs Computing kpt #: 98 total cpu time spent up to now is 40.8 secs Computing kpt #: 99 total cpu time spent up to now is 41.3 secs Computing kpt #: 100 total cpu time spent up to now is 41.7 secs Computing kpt #: 101 total cpu time spent up to now is 42.2 secs Computing kpt #: 102 total cpu time spent up to now is 42.6 secs Computing kpt #: 103 total cpu time spent up to now is 43.0 secs Computing kpt #: 104 total cpu time spent up to now is 43.5 secs Computing kpt #: 105 total cpu time spent up to now is 43.9 secs Computing kpt #: 106 total cpu time spent up to now is 44.3 secs Computing kpt #: 107 total cpu time spent up to now is 44.7 secs Computing kpt #: 108 total cpu time spent up to now is 45.2 secs Computing kpt #: 109 total cpu time spent up to now is 45.6 secs Computing kpt #: 110 total cpu time spent up to now is 46.0 secs Computing kpt #: 111 total cpu time spent up to now is 46.4 secs Computing kpt #: 112 total cpu time spent up to now is 46.9 secs Computing kpt #: 113 total cpu time spent up to now is 47.3 secs Computing kpt #: 114 total cpu time spent up to now is 47.7 secs Computing kpt #: 115 total cpu time spent up to now is 48.2 secs Computing kpt #: 116 total cpu time spent up to now is 48.6 secs Computing kpt #: 117 total cpu time spent up to now is 49.0 secs Computing kpt #: 118 total cpu time spent up to now is 49.4 secs Computing kpt #: 119 total cpu time spent up to now is 49.8 secs Computing kpt #: 120 total cpu time spent up to now is 50.2 secs Computing kpt #: 121 total cpu time spent up to now is 50.7 secs Computing kpt #: 122 total cpu time spent up to now is 51.1 secs Computing kpt #: 123 total cpu time spent up to now is 51.6 secs Computing kpt #: 124 total cpu time spent up to now is 52.1 secs Computing kpt #: 125 total cpu time spent up to now is 52.6 secs Computing kpt #: 126 total cpu time spent up to now is 53.0 secs Computing kpt #: 127 total cpu time spent up to now is 53.5 secs Computing kpt #: 128 total cpu time spent up to now is 54.0 secs Computing kpt #: 129 total cpu time spent up to now is 54.5 secs Computing kpt #: 130 total cpu time spent up to now is 54.9 secs Computing kpt #: 131 total cpu time spent up to now is 55.3 secs Computing kpt #: 132 total cpu time spent up to now is 55.7 secs Computing kpt #: 133 total cpu time spent up to now is 56.1 secs Computing kpt #: 134 total cpu time spent up to now is 56.6 secs Computing kpt #: 135 total cpu time spent up to now is 57.0 secs Computing kpt #: 136 total cpu time spent up to now is 57.5 secs Computing kpt #: 137 total cpu time spent up to now is 57.9 secs Computing kpt #: 138 total cpu time spent up to now is 58.3 secs Computing kpt #: 139 total cpu time spent up to now is 58.7 secs Computing kpt #: 140 total cpu time spent up to now is 59.2 secs Computing kpt #: 141 total cpu time spent up to now is 59.6 secs Computing kpt #: 142 total cpu time spent up to now is 60.0 secs Computing kpt #: 143 total cpu time spent up to now is 60.4 secs Computing kpt #: 144 total cpu time spent up to now is 60.8 secs Computing kpt #: 145 total cpu time spent up to now is 61.2 secs Computing kpt #: 146 total cpu time spent up to now is 61.7 secs Computing kpt #: 147 total cpu time spent up to now is 62.1 secs Computing kpt #: 148 total cpu time spent up to now is 62.5 secs Computing kpt #: 149 total cpu time spent up to now is 63.0 secs Computing kpt #: 150 total cpu time spent up to now is 63.4 secs Computing kpt #: 151 total cpu time spent up to now is 63.9 secs Computing kpt #: 152 total cpu time spent up to now is 64.4 secs Computing kpt #: 153 total cpu time spent up to now is 64.9 secs Computing kpt #: 154 total cpu time spent up to now is 65.5 secs Computing kpt #: 155 total cpu time spent up to now is 66.0 secs Computing kpt #: 156 total cpu time spent up to now is 66.7 secs Computing kpt #: 157 total cpu time spent up to now is 67.3 secs Computing kpt #: 158 total cpu time spent up to now is 67.9 secs Computing kpt #: 159 total cpu time spent up to now is 68.7 secs Computing kpt #: 160 total cpu time spent up to now is 69.5 secs Computing kpt #: 161 total cpu time spent up to now is 70.2 secs Computing kpt #: 162 total cpu time spent up to now is 70.8 secs Computing kpt #: 163 total cpu time spent up to now is 71.2 secs Computing kpt #: 164 total cpu time spent up to now is 71.7 secs Computing kpt #: 165 total cpu time spent up to now is 72.2 secs Computing kpt #: 166 total cpu time spent up to now is 72.7 secs Computing kpt #: 167 total cpu time spent up to now is 73.2 secs Computing kpt #: 168 total cpu time spent up to now is 73.7 secs Computing kpt #: 169 total cpu time spent up to now is 74.3 secs Computing kpt #: 170 total cpu time spent up to now is 74.8 secs Computing kpt #: 171 total cpu time spent up to now is 75.3 secs Computing kpt #: 172 total cpu time spent up to now is 75.8 secs Computing kpt #: 173 total cpu time spent up to now is 76.2 secs Computing kpt #: 174 total cpu time spent up to now is 76.7 secs Computing kpt #: 175 total cpu time spent up to now is 77.1 secs Computing kpt #: 176 total cpu time spent up to now is 77.6 secs Computing kpt #: 177 total cpu time spent up to now is 78.0 secs Computing kpt #: 178 total cpu time spent up to now is 78.5 secs Computing kpt #: 179 total cpu time spent up to now is 78.9 secs Computing kpt #: 180 total cpu time spent up to now is 79.4 secs Computing kpt #: 181 total cpu time spent up to now is 79.8 secs Computing kpt #: 182 total cpu time spent up to now is 80.2 secs Computing kpt #: 183 total cpu time spent up to now is 80.6 secs Computing kpt #: 184 total cpu time spent up to now is 81.1 secs Computing kpt #: 185 total cpu time spent up to now is 81.5 secs Computing kpt #: 186 total cpu time spent up to now is 81.9 secs Computing kpt #: 187 total cpu time spent up to now is 82.3 secs Computing kpt #: 188 total cpu time spent up to now is 82.7 secs Computing kpt #: 189 total cpu time spent up to now is 83.2 secs Computing kpt #: 190 total cpu time spent up to now is 83.6 secs Computing kpt #: 191 total cpu time spent up to now is 84.0 secs Computing kpt #: 192 total cpu time spent up to now is 84.5 secs Computing kpt #: 193 total cpu time spent up to now is 84.9 secs Computing kpt #: 194 total cpu time spent up to now is 85.3 secs Computing kpt #: 195 total cpu time spent up to now is 85.8 secs Computing kpt #: 196 total cpu time spent up to now is 86.2 secs Computing kpt #: 197 total cpu time spent up to now is 86.7 secs Computing kpt #: 198 total cpu time spent up to now is 87.2 secs Computing kpt #: 199 total cpu time spent up to now is 87.6 secs Computing kpt #: 200 total cpu time spent up to now is 88.0 secs Computing kpt #: 201 total cpu time spent up to now is 88.3 secs Computing kpt #: 202 total cpu time spent up to now is 88.7 secs Computing kpt #: 203 total cpu time spent up to now is 89.1 secs Computing kpt #: 204 total cpu time spent up to now is 89.6 secs Computing kpt #: 205 total cpu time spent up to now is 90.0 secs Computing kpt #: 206 total cpu time spent up to now is 90.4 secs Computing kpt #: 207 total cpu time spent up to now is 90.8 secs Computing kpt #: 208 total cpu time spent up to now is 91.2 secs Computing kpt #: 209 total cpu time spent up to now is 91.6 secs Computing kpt #: 210 total cpu time spent up to now is 92.0 secs Computing kpt #: 211 total cpu time spent up to now is 92.5 secs Computing kpt #: 212 total cpu time spent up to now is 92.9 secs Computing kpt #: 213 total cpu time spent up to now is 93.3 secs Computing kpt #: 214 total cpu time spent up to now is 93.8 secs Computing kpt #: 215 total cpu time spent up to now is 94.2 secs Computing kpt #: 216 total cpu time spent up to now is 94.7 secs Computing kpt #: 217 total cpu time spent up to now is 95.1 secs Computing kpt #: 218 total cpu time spent up to now is 95.6 secs Computing kpt #: 219 total cpu time spent up to now is 96.0 secs Computing kpt #: 220 total cpu time spent up to now is 96.4 secs Computing kpt #: 221 total cpu time spent up to now is 96.9 secs Computing kpt #: 222 total cpu time spent up to now is 97.3 secs Computing kpt #: 223 total cpu time spent up to now is 97.8 secs Computing kpt #: 224 total cpu time spent up to now is 98.3 secs Computing kpt #: 225 total cpu time spent up to now is 98.7 secs Computing kpt #: 226 total cpu time spent up to now is 99.3 secs Computing kpt #: 227 total cpu time spent up to now is 99.7 secs Computing kpt #: 228 total cpu time spent up to now is 100.2 secs Computing kpt #: 229 total cpu time spent up to now is 100.7 secs Computing kpt #: 230 total cpu time spent up to now is 101.2 secs Computing kpt #: 231 total cpu time spent up to now is 101.7 secs Computing kpt #: 232 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 103.0 secs Computing kpt #: 233 total cpu time spent up to now is 103.9 secs Computing kpt #: 234 total cpu time spent up to now is 104.6 secs Computing kpt #: 235 total cpu time spent up to now is 105.2 secs Computing kpt #: 236 total cpu time spent up to now is 105.7 secs Computing kpt #: 237 total cpu time spent up to now is 106.1 secs Computing kpt #: 238 total cpu time spent up to now is 106.6 secs Computing kpt #: 239 total cpu time spent up to now is 107.0 secs Computing kpt #: 240 total cpu time spent up to now is 107.5 secs Computing kpt #: 241 total cpu time spent up to now is 108.0 secs Computing kpt #: 242 total cpu time spent up to now is 108.4 secs Computing kpt #: 243 total cpu time spent up to now is 108.9 secs Computing kpt #: 244 total cpu time spent up to now is 109.4 secs Computing kpt #: 245 total cpu time spent up to now is 109.9 secs Computing kpt #: 246 total cpu time spent up to now is 110.4 secs Computing kpt #: 247 total cpu time spent up to now is 110.9 secs Computing kpt #: 248 total cpu time spent up to now is 111.4 secs Computing kpt #: 249 total cpu time spent up to now is 111.8 secs Computing kpt #: 250 total cpu time spent up to now is 112.3 secs Computing kpt #: 251 total cpu time spent up to now is 112.8 secs Computing kpt #: 252 total cpu time spent up to now is 113.3 secs Computing kpt #: 253 total cpu time spent up to now is 113.9 secs Computing kpt #: 254 total cpu time spent up to now is 114.4 secs Computing kpt #: 255 total cpu time spent up to now is 114.9 secs Computing kpt #: 256 total cpu time spent up to now is 115.5 secs Computing kpt #: 257 total cpu time spent up to now is 116.0 secs Computing kpt #: 258 total cpu time spent up to now is 116.6 secs Computing kpt #: 259 total cpu time spent up to now is 117.3 secs Computing kpt #: 260 total cpu time spent up to now is 117.7 secs Computing kpt #: 261 total cpu time spent up to now is 118.5 secs Computing kpt #: 262 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 119.8 secs Computing kpt #: 263 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 121.2 secs Computing kpt #: 264 total cpu time spent up to now is 122.2 secs Computing kpt #: 265 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 123.6 secs Computing kpt #: 266 total cpu time spent up to now is 124.6 secs Computing kpt #: 267 total cpu time spent up to now is 125.5 secs Computing kpt #: 268 total cpu time spent up to now is 126.6 secs Computing kpt #: 269 total cpu time spent up to now is 127.9 secs Computing kpt #: 270 total cpu time spent up to now is 128.9 secs Computing kpt #: 271 total cpu time spent up to now is 129.8 secs Computing kpt #: 272 total cpu time spent up to now is 130.5 secs Computing kpt #: 273 total cpu time spent up to now is 131.4 secs Computing kpt #: 274 total cpu time spent up to now is 132.3 secs Computing kpt #: 275 total cpu time spent up to now is 133.4 secs Computing kpt #: 276 total cpu time spent up to now is 134.5 secs Computing kpt #: 277 total cpu time spent up to now is 135.6 secs Computing kpt #: 278 total cpu time spent up to now is 136.7 secs Computing kpt #: 279 total cpu time spent up to now is 137.5 secs Computing kpt #: 280 total cpu time spent up to now is 138.4 secs Computing kpt #: 281 total cpu time spent up to now is 139.1 secs Computing kpt #: 282 total cpu time spent up to now is 140.1 secs Computing kpt #: 283 total cpu time spent up to now is 140.9 secs Computing kpt #: 284 total cpu time spent up to now is 142.0 secs Computing kpt #: 285 total cpu time spent up to now is 142.9 secs Computing kpt #: 286 total cpu time spent up to now is 143.4 secs Computing kpt #: 287 total cpu time spent up to now is 144.3 secs Computing kpt #: 288 total cpu time spent up to now is 145.3 secs Computing kpt #: 289 total cpu time spent up to now is 145.8 secs Computing kpt #: 290 total cpu time spent up to now is 146.3 secs Computing kpt #: 291 total cpu time spent up to now is 146.9 secs Computing kpt #: 292 total cpu time spent up to now is 147.4 secs Computing kpt #: 293 total cpu time spent up to now is 148.1 secs Computing kpt #: 294 total cpu time spent up to now is 148.7 secs Computing kpt #: 295 total cpu time spent up to now is 149.4 secs Computing kpt #: 296 total cpu time spent up to now is 150.0 secs Computing kpt #: 297 total cpu time spent up to now is 150.5 secs Computing kpt #: 298 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 151.8 secs Computing kpt #: 299 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 153.2 secs Computing kpt #: 300 total cpu time spent up to now is 153.9 secs Computing kpt #: 301 total cpu time spent up to now is 154.4 secs Computing kpt #: 302 total cpu time spent up to now is 154.8 secs Computing kpt #: 303 total cpu time spent up to now is 155.3 secs Computing kpt #: 304 total cpu time spent up to now is 155.7 secs Computing kpt #: 305 total cpu time spent up to now is 156.2 secs Computing kpt #: 306 total cpu time spent up to now is 156.6 secs Computing kpt #: 307 total cpu time spent up to now is 157.0 secs Computing kpt #: 308 total cpu time spent up to now is 157.4 secs Computing kpt #: 309 total cpu time spent up to now is 157.8 secs Computing kpt #: 310 total cpu time spent up to now is 158.2 secs Computing kpt #: 311 total cpu time spent up to now is 158.7 secs Computing kpt #: 312 total cpu time spent up to now is 159.1 secs Computing kpt #: 313 total cpu time spent up to now is 159.5 secs Computing kpt #: 314 total cpu time spent up to now is 159.9 secs Computing kpt #: 315 total cpu time spent up to now is 160.3 secs Computing kpt #: 316 total cpu time spent up to now is 160.7 secs Computing kpt #: 317 total cpu time spent up to now is 161.1 secs Computing kpt #: 318 total cpu time spent up to now is 161.5 secs Computing kpt #: 319 total cpu time spent up to now is 161.9 secs Computing kpt #: 320 total cpu time spent up to now is 162.3 secs Computing kpt #: 321 total cpu time spent up to now is 162.6 secs Computing kpt #: 322 total cpu time spent up to now is 163.0 secs Computing kpt #: 323 total cpu time spent up to now is 163.4 secs Computing kpt #: 324 total cpu time spent up to now is 163.8 secs Computing kpt #: 325 total cpu time spent up to now is 164.2 secs Computing kpt #: 326 total cpu time spent up to now is 164.5 secs Computing kpt #: 327 total cpu time spent up to now is 164.9 secs Computing kpt #: 328 total cpu time spent up to now is 165.3 secs Computing kpt #: 329 total cpu time spent up to now is 165.7 secs Computing kpt #: 330 total cpu time spent up to now is 166.0 secs Computing kpt #: 331 total cpu time spent up to now is 166.4 secs Computing kpt #: 332 total cpu time spent up to now is 166.7 secs Computing kpt #: 333 total cpu time spent up to now is 167.1 secs Computing kpt #: 334 total cpu time spent up to now is 167.5 secs Computing kpt #: 335 total cpu time spent up to now is 167.8 secs Computing kpt #: 336 total cpu time spent up to now is 168.2 secs Computing kpt #: 337 total cpu time spent up to now is 168.5 secs Computing kpt #: 338 total cpu time spent up to now is 168.9 secs Computing kpt #: 339 total cpu time spent up to now is 169.2 secs Computing kpt #: 340 total cpu time spent up to now is 169.6 secs Computing kpt #: 341 total cpu time spent up to now is 170.0 secs Computing kpt #: 342 total cpu time spent up to now is 170.3 secs Computing kpt #: 343 total cpu time spent up to now is 170.7 secs Computing kpt #: 344 total cpu time spent up to now is 171.0 secs Computing kpt #: 345 total cpu time spent up to now is 171.4 secs Computing kpt #: 346 total cpu time spent up to now is 171.8 secs Computing kpt #: 347 total cpu time spent up to now is 172.2 secs Computing kpt #: 348 total cpu time spent up to now is 172.5 secs Computing kpt #: 349 total cpu time spent up to now is 172.9 secs Computing kpt #: 350 total cpu time spent up to now is 173.3 secs Computing kpt #: 351 total cpu time spent up to now is 173.7 secs Computing kpt #: 352 total cpu time spent up to now is 174.1 secs Computing kpt #: 353 total cpu time spent up to now is 174.5 secs Computing kpt #: 354 total cpu time spent up to now is 175.0 secs Computing kpt #: 355 total cpu time spent up to now is 175.4 secs Computing kpt #: 356 total cpu time spent up to now is 175.8 secs Computing kpt #: 357 total cpu time spent up to now is 176.2 secs Computing kpt #: 358 total cpu time spent up to now is 176.7 secs Computing kpt #: 359 total cpu time spent up to now is 177.2 secs Computing kpt #: 360 total cpu time spent up to now is 177.8 secs Computing kpt #: 361 total cpu time spent up to now is 178.4 secs Computing kpt #: 362 total cpu time spent up to now is 178.9 secs Computing kpt #: 363 total cpu time spent up to now is 179.4 secs Computing kpt #: 364 total cpu time spent up to now is 179.8 secs Computing kpt #: 365 total cpu time spent up to now is 180.4 secs Computing kpt #: 366 total cpu time spent up to now is 180.9 secs Computing kpt #: 367 total cpu time spent up to now is 181.4 secs ethr = 2.08E-08, avg # of iterations = 23.8 total cpu time spent up to now is 181.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2125 PWs) bands (ev): 1.9434 1.9434 6.4123 6.4123 8.1235 8.1235 9.5754 9.5754 9.6129 9.6129 10.7423 10.7423 10.8256 10.8256 10.8607 10.8607 10.9641 10.9641 10.9842 10.9842 11.5334 11.5334 11.5540 11.5540 12.7555 12.7555 12.8621 12.8621 12.9936 12.9936 13.4416 13.4416 13.4437 13.4437 13.5041 13.5041 13.5492 13.5492 13.6095 13.6095 14.2618 14.2618 14.3001 14.3001 15.0047 15.0047 17.7349 17.7349 17.7407 17.7407 17.8062 17.8062 17.8556 17.8556 17.9321 17.9321 18.2552 18.2552 k = 0.0104 0.0060-0.0000 ( 2125 PWs) bands (ev): 1.9448 1.9448 6.4126 6.4126 8.1245 8.1245 9.5757 9.5757 9.6132 9.6132 10.7355 10.7355 10.8127 10.8127 10.8792 10.8792 10.9642 10.9642 10.9849 10.9849 11.5325 11.5325 11.5531 11.5531 12.7553 12.7553 12.8618 12.8618 12.9932 12.9932 13.4409 13.4409 13.4437 13.4437 13.5037 13.5037 13.5481 13.5481 13.6107 13.6107 14.2614 14.2614 14.2996 14.2996 15.0042 15.0042 17.6299 17.6299 17.6629 17.6629 17.7890 17.7890 17.9627 17.9627 18.0237 18.0237 18.2547 18.2547 k = 0.0208 0.0120-0.0000 ( 2125 PWs) bands (ev): 1.9492 1.9492 6.4137 6.4137 8.1276 8.1276 9.5764 9.5764 9.6141 9.6141 10.7144 10.7144 10.8002 10.8002 10.9092 10.9092 10.9645 10.9645 10.9876 10.9876 11.5294 11.5294 11.5509 11.5509 12.7547 12.7547 12.8609 12.8609 12.9919 12.9919 13.4386 13.4386 13.4437 13.4437 13.5026 13.5026 13.5448 13.5448 13.6139 13.6139 14.2602 14.2602 14.2983 14.2983 15.0027 15.0027 17.4694 17.4694 17.5329 17.5329 17.7870 17.7870 18.1002 18.1002 18.1738 18.1738 18.2535 18.2535 k = 0.0312 0.0180-0.0000 ( 2137 PWs) bands (ev): 1.9564 1.9564 6.4154 6.4154 8.1328 8.1328 9.5773 9.5773 9.6158 9.6158 10.6819 10.6819 10.7956 10.7956 10.9375 10.9375 10.9650 10.9650 10.9943 10.9943 11.5230 11.5230 11.5486 11.5486 12.7534 12.7534 12.8593 12.8593 12.9898 12.9898 13.4349 13.4349 13.4435 13.4435 13.5007 13.5007 13.5397 13.5397 13.6188 13.6188 14.2580 14.2580 14.2961 14.2961 15.0002 15.0002 17.3023 17.3023 17.3977 17.3977 17.7868 17.7868 18.2363 18.2363 18.2526 18.2526 18.3297 18.3297 k = 0.0417 0.0241-0.0000 ( 2137 PWs) bands (ev): 1.9666 1.9666 6.4178 6.4178 8.1399 8.1399 9.5781 9.5781 9.6188 9.6188 10.6432 10.6432 10.7959 10.7959 10.9567 10.9567 10.9670 10.9670 11.0096 11.0096 11.5126 11.5126 11.5470 11.5470 12.7518 12.7518 12.8573 12.8573 12.9868 12.9868 13.4297 13.4297 13.4434 13.4434 13.4986 13.4986 13.5331 13.5331 13.6248 13.6248 14.2551 14.2551 14.2933 14.2933 14.9968 14.9968 17.1337 17.1337 17.2622 17.2622 17.7868 17.7868 18.2470 18.2470 18.3744 18.3744 18.4823 18.4823 k = 0.0521 0.0301-0.0000 ( 2137 PWs) bands (ev): 1.9796 1.9796 6.4209 6.4209 8.1492 8.1492 9.5784 9.5784 9.6233 9.6233 10.6010 10.6010 10.7990 10.7990 10.9608 10.9608 10.9741 10.9741 11.0350 11.0350 11.4986 11.4986 11.5463 11.5463 12.7499 12.7499 12.8549 12.8549 12.9829 12.9829 13.4231 13.4231 13.4433 13.4433 13.4962 13.4962 13.5253 13.5253 13.6314 13.6314 14.2512 14.2512 14.2898 14.2898 14.9923 14.9923 16.9652 16.9652 17.1273 17.1273 17.7867 17.7867 18.2423 18.2423 18.5060 18.5060 18.6269 18.6269 k = 0.0625 0.0361-0.0000 ( 2131 PWs) bands (ev): 1.9955 1.9955 6.4245 6.4245 8.1604 8.1604 9.5777 9.5777 9.6297 9.6297 10.5564 10.5564 10.8038 10.8038 10.9601 10.9601 10.9814 10.9814 11.0654 11.0654 11.4814 11.4814 11.5461 11.5461 12.7473 12.7473 12.8521 12.8521 12.9781 12.9781 13.4151 13.4151 13.4432 13.4432 13.4938 13.4938 13.5165 13.5165 13.6384 13.6384 14.2462 14.2462 14.2859 14.2859 14.9870 14.9870 16.7978 16.7978 16.9936 16.9936 17.7863 17.7863 18.2362 18.2362 18.6297 18.6297 18.7551 18.7551 k = 0.0729 0.0421-0.0000 ( 2129 PWs) bands (ev): 2.0144 2.0144 6.4288 6.4288 8.1737 8.1737 9.5760 9.5760 9.6379 9.6379 10.5098 10.5098 10.8100 10.8100 10.9583 10.9583 10.9881 10.9881 11.0973 11.0973 11.4616 11.4616 11.5462 11.5462 12.7443 12.7443 12.8491 12.8491 12.9722 12.9722 13.4056 13.4056 13.4429 13.4429 13.4912 13.4912 13.5067 13.5067 13.6454 13.6454 14.2400 14.2400 14.2815 14.2815 14.9807 14.9807 16.6319 16.6319 16.8611 16.8611 17.7853 17.7853 18.2286 18.2286 18.7398 18.7398 18.8466 18.8466 k = 0.0833 0.0481-0.0000 ( 2121 PWs) bands (ev): 2.0360 2.0360 6.4335 6.4335 8.1890 8.1890 9.5730 9.5730 9.6481 9.6481 10.4615 10.4615 10.8174 10.8174 10.9559 10.9559 10.9951 10.9951 11.1294 11.1294 11.4399 11.4399 11.5465 11.5465 12.7406 12.7406 12.8458 12.8458 12.9655 12.9655 13.3948 13.3948 13.4423 13.4423 13.4882 13.4882 13.4965 13.4965 13.6522 13.6522 14.2328 14.2328 14.2771 14.2771 14.9738 14.9738 16.4682 16.4682 16.7301 16.7301 17.7836 17.7836 18.2191 18.2191 18.8291 18.8291 18.8756 18.8756 k = 0.0938 0.0541-0.0000 ( 2113 PWs) bands (ev): 2.0606 2.0606 6.4386 6.4386 8.2062 8.2062 9.5686 9.5686 9.6600 9.6600 10.4115 10.4115 10.8260 10.8260 10.9528 10.9528 11.0026 11.0026 11.1612 11.1612 11.4169 11.4169 11.5469 11.5469 12.7364 12.7364 12.8426 12.8426 12.9576 12.9576 13.3825 13.3825 13.4414 13.4414 13.4826 13.4826 13.4885 13.4885 13.6587 13.6587 14.2242 14.2242 14.2725 14.2725 14.9659 14.9659 16.3070 16.3070 16.6004 16.6004 17.7808 17.7808 18.2077 18.2077 18.8542 18.8542 18.8941 18.8941 k = 0.1042 0.0601-0.0000 ( 2105 PWs) bands (ev): 2.0880 2.0880 6.4441 6.4441 8.2255 8.2255 9.5625 9.5625 9.6737 9.6737 10.3601 10.3601 10.8358 10.8358 10.9491 10.9491 11.0110 11.0110 11.1924 11.1924 11.3930 11.3930 11.5475 11.5475 12.7314 12.7314 12.8393 12.8393 12.9487 12.9487 13.3687 13.3687 13.4400 13.4400 13.4721 13.4721 13.4849 13.4849 13.6648 13.6648 14.2143 14.2143 14.2679 14.2679 14.9573 14.9573 16.1486 16.1486 16.4724 16.4724 17.7766 17.7766 18.1941 18.1941 18.8115 18.8115 18.9338 18.9338 k = 0.1146 0.0662-0.0000 ( 2107 PWs) bands (ev): 2.1182 2.1182 6.4499 6.4499 8.2467 8.2467 9.5546 9.5546 9.6890 9.6890 10.3073 10.3073 10.8464 10.8464 10.9448 10.9448 11.0199 11.0199 11.2223 11.2223 11.3694 11.3694 11.5479 11.5479 12.7255 12.7255 12.8360 12.8360 12.9385 12.9385 13.3531 13.3531 13.4380 13.4380 13.4607 13.4607 13.4821 13.4821 13.6701 13.6701 14.2033 14.2033 14.2632 14.2632 14.9478 14.9478 15.9934 15.9934 16.3459 16.3459 17.7705 17.7705 18.1781 18.1781 18.7581 18.7581 18.9557 18.9557 k = 0.1250 0.0722-0.0000 ( 2105 PWs) bands (ev): 2.1512 2.1512 6.4558 6.4558 8.2698 8.2698 9.5446 9.5446 9.7058 9.7058 10.2537 10.2537 10.8580 10.8580 10.9400 10.9400 11.0296 11.0296 11.2496 11.2496 11.3480 11.3480 11.5486 11.5486 12.7189 12.7189 12.8328 12.8328 12.9272 12.9272 13.3361 13.3361 13.4349 13.4349 13.4498 13.4498 13.4794 13.4794 13.6747 13.6747 14.1912 14.1912 14.2586 14.2586 14.9376 14.9376 15.8416 15.8416 16.2210 16.2210 17.7622 17.7622 18.1593 18.1593 18.6989 18.6989 18.9656 18.9656 k = 0.1354 0.0782-0.0000 ( 2105 PWs) bands (ev): 2.1871 2.1871 6.4617 6.4617 8.2948 8.2948 9.5318 9.5318 9.7242 9.7242 10.1995 10.1995 10.8706 10.8706 10.9347 10.9347 11.0400 11.0400 11.2688 11.2688 11.3347 11.3347 11.5491 11.5491 12.7114 12.7114 12.8298 12.8298 12.9147 12.9147 13.3171 13.3171 13.4295 13.4295 13.4406 13.4406 13.4766 13.4766 13.6784 13.6784 14.1782 14.1782 14.2540 14.2540 14.9267 14.9267 15.6935 15.6935 16.0977 16.0977 17.7510 17.7510 18.1377 18.1377 18.6366 18.6366 18.9678 18.9678 k = 0.1458 0.0842-0.0000 ( 2101 PWs) bands (ev): 2.2257 2.2257 6.4676 6.4676 8.3217 8.3217 9.5158 9.5158 9.7441 9.7441 10.1455 10.1455 10.8840 10.8840 10.9288 10.9288 11.0512 11.0512 11.2684 11.2684 11.3416 11.3416 11.5497 11.5497 12.7033 12.7033 12.8272 12.8272 12.9010 12.9010 13.2964 13.2964 13.4208 13.4208 13.4342 13.4342 13.4736 13.4736 13.6811 13.6811 14.1645 14.1645 14.2495 14.2495 14.9152 14.9152 15.5492 15.5492 15.9762 15.9762 17.7363 17.7363 18.1129 18.1129 18.5732 18.5732 18.9651 18.9651 k = 0.1562 0.0902-0.0000 ( 2097 PWs) bands (ev): 2.2671 2.2671 6.4733 6.4733 8.3504 8.3504 9.4956 9.4956 9.7654 9.7654 10.0925 10.0925 10.8980 10.8980 10.9231 10.9231 11.0631 11.0631 11.2533 11.2533 11.3641 11.3641 11.5501 11.5501 12.6942 12.6942 12.8245 12.8245 12.8863 12.8863 13.2739 13.2739 13.4105 13.4105 13.4290 13.4290 13.4706 13.4706 13.6828 13.6828 14.1501 14.1501 14.2452 14.2452 14.9030 14.9030 15.4091 15.4091 15.8564 15.8564 17.7173 17.7173 18.0850 18.0850 18.5102 18.5102 18.9591 18.9591 k = 0.1667 0.0962-0.0000 ( 2101 PWs) bands (ev): 2.3113 2.3113 6.4785 6.4785 8.3809 8.3809 9.4702 9.4702 9.7881 9.7881 10.0417 10.0417 10.9090 10.9090 10.9202 10.9202 11.0757 11.0757 11.2346 11.2346 11.3913 11.3913 11.5505 11.5505 12.6842 12.6842 12.8216 12.8216 12.8707 12.8707 13.2497 13.2497 13.3997 13.3997 13.4236 13.4236 13.4671 13.4671 13.6833 13.6833 14.1353 14.1353 14.2409 14.2409 14.8901 14.8901 15.2733 15.2733 15.7384 15.7384 17.6931 17.6931 18.0537 18.0537 18.4490 18.4490 18.9508 18.9508 k = 0.1771 0.1022-0.0000 ( 2101 PWs) bands (ev): 2.3581 2.3581 6.4833 6.4833 8.4132 8.4132 9.4384 9.4384 9.8122 9.8122 9.9945 9.9945 10.9052 10.9052 10.9324 10.9324 11.0890 11.0890 11.2160 11.2160 11.4199 11.4199 11.5507 11.5507 12.6736 12.6736 12.8178 12.8178 12.8551 12.8551 13.2239 13.2239 13.3889 13.3889 13.4176 13.4176 13.4635 13.4635 13.6825 13.6825 14.1202 14.1202 14.2368 14.2368 14.8766 14.8766 15.1420 15.1420 15.6221 15.6221 17.6630 17.6630 18.0190 18.0190 18.3913 18.3913 18.9409 18.9409 k = 0.1875 0.1083-0.0000 ( 2103 PWs) bands (ev): 2.4077 2.4077 6.4873 6.4873 8.4472 8.4472 9.3994 9.3994 9.8375 9.8375 9.9522 9.9522 10.8971 10.8971 10.9491 10.9491 11.1030 11.1030 11.1987 11.1987 11.4489 11.4489 11.5508 11.5508 12.6622 12.6622 12.8109 12.8109 12.8413 12.8413 13.1965 13.1965 13.3780 13.3780 13.4109 13.4109 13.4597 13.4597 13.6804 13.6804 14.1050 14.1050 14.2328 14.2328 14.8623 14.8623 15.0155 15.0155 15.5078 15.5078 17.6263 17.6263 17.9809 17.9809 18.3382 18.3382 18.9300 18.9300 k = 0.1979 0.1143-0.0000 ( 2107 PWs) bands (ev): 2.4599 2.4599 6.4903 6.4903 8.4829 8.4829 9.3524 9.3524 9.8636 9.8636 9.9163 9.9163 10.8878 10.8878 10.9669 10.9669 11.1176 11.1176 11.1832 11.1832 11.4779 11.4779 11.5507 11.5507 12.6501 12.6501 12.7977 12.7977 12.8327 12.8327 13.1679 13.1679 13.3669 13.3669 13.4033 13.4033 13.4556 13.4556 13.6768 13.6768 14.0898 14.0898 14.2291 14.2291 14.8466 14.8466 14.8948 14.8948 15.3953 15.3953 17.5824 17.5824 17.9395 17.9395 18.2906 18.2906 18.9182 18.9182 k = 0.2083 0.1203-0.0000 ( 2107 PWs) bands (ev): 2.5148 2.5148 6.4922 6.4922 8.5203 8.5203 9.2973 9.2973 9.8786 9.8786 9.8989 9.8989 10.8777 10.8777 10.9856 10.9856 11.1328 11.1328 11.1697 11.1697 11.5070 11.5070 11.5506 11.5506 12.6374 12.6374 12.7788 12.7788 12.8286 12.8286 13.1382 13.1382 13.3555 13.3555 13.3952 13.3952 13.4511 13.4511 13.6717 13.6717 14.0747 14.0747 14.2255 14.2255 14.7758 14.7758 14.8337 14.8337 15.2848 15.2848 17.5315 17.5315 17.8949 17.8949 18.2492 18.2492 18.9060 18.9060 k = 0.2188 0.1263-0.0000 ( 2107 PWs) bands (ev): 2.5722 2.5722 6.4927 6.4927 8.5592 8.5592 9.2346 9.2346 9.8587 9.8587 9.9242 9.9242 10.8667 10.8667 11.0051 11.0051 11.1480 11.1480 11.1589 11.1589 11.5352 11.5352 11.5509 11.5509 12.6241 12.6241 12.7566 12.7566 12.8265 12.8265 13.1075 13.1075 13.3438 13.3438 13.3865 13.3865 13.4462 13.4462 13.6649 13.6649 14.0600 14.0600 14.2222 14.2222 14.6656 14.6656 14.8170 14.8170 15.1762 15.1762 17.4740 17.4740 17.8474 17.8474 18.2139 18.2139 18.8935 18.8935 k = 0.2292 0.1323-0.0000 ( 2103 PWs) bands (ev): 2.6322 2.6322 6.4915 6.4915 8.5997 8.5997 9.1652 9.1652 9.8410 9.8410 9.9545 9.9545 10.8550 10.8550 11.0252 11.0252 11.1476 11.1476 11.1664 11.1664 11.5478 11.5478 11.5666 11.5666 12.6103 12.6103 12.7323 12.7323 12.8251 12.8251 13.0759 13.0759 13.3314 13.3314 13.3773 13.3773 13.4410 13.4410 13.6564 13.6564 14.0456 14.0456 14.2191 14.2191 14.5607 14.5607 14.8001 14.8001 15.0697 15.0697 17.4108 17.4108 17.7973 17.7973 18.1843 18.1843 18.8808 18.8808 k = 0.2396 0.1383-0.0000 ( 2103 PWs) bands (ev): 2.6947 2.6947 6.4884 6.4884 8.6416 8.6416 9.0904 9.0904 9.8283 9.8283 9.9863 9.9863 10.8422 10.8422 11.0459 11.0459 11.1400 11.1400 11.1831 11.1831 11.5474 11.5474 11.5948 11.5948 12.5960 12.5960 12.7064 12.7064 12.8239 12.8239 13.0438 13.0438 13.3182 13.3182 13.3678 13.3678 13.4353 13.4353 13.6460 13.6460 14.0316 14.0316 14.2162 14.2162 14.4620 14.4620 14.7825 14.7825 14.9653 14.9653 17.3431 17.3431 17.7448 17.7448 18.1597 18.1597 18.8681 18.8681 k = 0.2500 0.1443-0.0000 ( 2111 PWs) bands (ev): 2.7597 2.7597 6.4829 6.4829 8.6849 8.6849 9.0113 9.0113 9.8204 9.8204 10.0193 10.0193 10.8284 10.8284 11.0671 11.0671 11.1336 11.1336 11.2006 11.2006 11.5461 11.5461 11.6233 11.6233 12.5810 12.5810 12.6789 12.6789 12.8223 12.8223 13.0111 13.0111 13.3041 13.3041 13.3581 13.3581 13.4291 13.4291 13.6337 13.6337 14.0180 14.0180 14.2132 14.2132 14.3700 14.3700 14.7643 14.7643 14.8631 14.8631 17.2719 17.2719 17.6904 17.6904 18.1394 18.1394 18.8555 18.8555 k = 0.2604 0.1504-0.0000 ( 2099 PWs) bands (ev): 2.8272 2.8272 6.4749 6.4749 8.7296 8.7296 8.9295 8.9295 9.8167 9.8167 10.0538 10.0538 10.8138 10.8138 11.0887 11.0887 11.1286 11.1286 11.2187 11.2187 11.5445 11.5445 11.6520 11.6520 12.5659 12.5659 12.6503 12.6503 12.8204 12.8204 12.9783 12.9783 13.2891 13.2891 13.3486 13.3486 13.4225 13.4225 13.6194 13.6194 14.0050 14.0050 14.2102 14.2102 14.2858 14.2858 14.7452 14.7452 14.7633 14.7633 17.1984 17.1984 17.6346 17.6346 18.1227 18.1227 18.8431 18.8431 k = 0.2708 0.1564-0.0000 ( 2097 PWs) bands (ev): 2.8970 2.8970 6.4639 6.4639 8.7754 8.7754 8.8458 8.8458 9.8168 9.8168 10.0891 10.0891 10.7983 10.7983 11.1106 11.1106 11.1246 11.1246 11.2371 11.2371 11.5423 11.5423 11.6804 11.6804 12.5503 12.5503 12.6205 12.6205 12.8177 12.8177 12.9452 12.9452 13.2728 13.2728 13.3392 13.3392 13.4155 13.4155 13.6030 13.6030 13.9917 13.9917 14.1988 14.1988 14.2179 14.2179 14.6655 14.6655 14.7258 14.7258 17.1238 17.1238 17.5777 17.5777 18.1089 18.1089 18.8309 18.8309 k = 0.2812 0.1624-0.0000 ( 2095 PWs) bands (ev): 2.9691 2.9691 6.4496 6.4496 8.7606 8.7606 8.8229 8.8229 9.8205 9.8205 10.1255 10.1255 10.7817 10.7817 11.1212 11.1212 11.1326 11.1326 11.2559 11.2559 11.5398 11.5398 11.7086 11.7086 12.5340 12.5340 12.5900 12.5900 12.8136 12.8136 12.9126 12.9126 13.2552 13.2552 13.3304 13.3304 13.4082 13.4082 13.5846 13.5846 13.9778 13.9778 14.1377 14.1377 14.2084 14.2084 14.5706 14.5706 14.7053 14.7053 17.0488 17.0488 17.5204 17.5204 18.0973 18.0973 18.8190 18.8190 k = 0.2917 0.1684-0.0000 ( 2093 PWs) bands (ev): 3.0434 3.0434 6.4315 6.4315 8.6764 8.6764 8.8709 8.8709 9.8275 9.8275 10.1630 10.1630 10.7640 10.7640 11.1180 11.1180 11.1544 11.1544 11.2751 11.2751 11.5370 11.5370 11.7366 11.7366 12.5173 12.5173 12.5590 12.5590 12.8078 12.8078 12.8805 12.8805 13.2362 13.2362 13.3225 13.3225 13.4005 13.4005 13.5642 13.5642 13.9622 13.9622 14.0801 14.0801 14.2055 14.2055 14.4784 14.4784 14.6841 14.6841 16.9743 16.9743 17.4631 17.4631 18.0877 18.0877 18.8075 18.8075 k = 0.3021 0.1744-0.0000 ( 2093 PWs) bands (ev): 3.1199 3.1199 6.4094 6.4094 8.5930 8.5930 8.9200 8.9200 9.8377 9.8377 10.2013 10.2013 10.7452 10.7452 11.1146 11.1146 11.1759 11.1759 11.2946 11.2946 11.5339 11.5339 11.7642 11.7642 12.4997 12.4997 12.5281 12.5281 12.7997 12.7997 12.8499 12.8499 13.2157 13.2157 13.3158 13.3158 13.3926 13.3926 13.5421 13.5421 13.9417 13.9417 14.0346 14.0346 14.2021 14.2021 14.3898 14.3898 14.6622 14.6622 16.9010 16.9010 17.4061 17.4061 18.0795 18.0795 18.7964 18.7964 k = 0.3125 0.1804-0.0000 ( 2097 PWs) bands (ev): 3.1986 3.1986 6.3828 6.3828 8.5116 8.5116 8.9699 8.9699 9.8509 9.8509 10.2406 10.2406 10.7253 10.7253 11.1105 11.1105 11.1967 11.1967 11.3143 11.3143 11.5306 11.5306 11.7915 11.7915 12.4803 12.4803 12.4987 12.4987 12.7873 12.7873 12.8223 12.8223 13.1936 13.1936 13.3105 13.3105 13.3844 13.3844 13.5187 13.5187 13.9147 13.9147 14.0032 14.0032 14.1958 14.1958 14.3072 14.3072 14.6396 14.6396 16.8293 16.8293 17.3501 17.3501 18.0726 18.0726 18.7857 18.7857 k = 0.3229 0.1864-0.0000 ( 2091 PWs) bands (ev): 3.2792 3.2792 6.3515 6.3515 8.4330 8.4330 9.0206 9.0206 9.8673 9.8673 10.2807 10.2807 10.7043 10.7043 11.1052 11.1052 11.2165 11.2165 11.3341 11.3341 11.5274 11.5274 11.8184 11.8184 12.4564 12.4564 12.4743 12.4743 12.7684 12.7684 12.8006 12.8006 13.1700 13.1700 13.3074 13.3074 13.3762 13.3762 13.4944 13.4944 13.8834 13.8834 13.9831 13.9831 14.1740 14.1740 14.2433 14.2433 14.6166 14.6166 16.7598 16.7598 17.2953 17.2953 18.0668 18.0668 18.7755 18.7755 k = 0.3333 0.1925-0.0000 ( 2093 PWs) bands (ev): 3.3617 3.3617 6.3150 6.3150 8.3577 8.3577 9.0719 9.0719 9.8866 9.8866 10.3216 10.3216 10.6820 10.6820 11.0980 11.0980 11.2346 11.2346 11.3540 11.3540 11.5244 11.5244 11.8448 11.8448 12.4284 12.4284 12.4545 12.4545 12.7436 12.7436 12.7840 12.7840 13.1451 13.1451 13.3065 13.3065 13.3681 13.3681 13.4695 13.4695 13.8519 13.8519 13.9690 13.9690 14.1148 14.1148 14.2200 14.2200 14.5929 14.5929 16.6929 16.6929 17.2422 17.2422 18.0617 18.0617 18.7658 18.7658 k = 0.3438 0.1985-0.0000 ( 2085 PWs) bands (ev): 3.4459 3.4459 6.2732 6.2732 8.2865 8.2865 9.1237 9.1237 9.9088 9.9088 10.3634 10.3634 10.6586 10.6586 11.0887 11.0887 11.2505 11.2505 11.3740 11.3740 11.5222 11.5222 11.8707 11.8707 12.4000 12.4000 12.4364 12.4364 12.7171 12.7171 12.7688 12.7688 13.1193 13.1193 13.3077 13.3077 13.3602 13.3602 13.4446 13.4446 13.8226 13.8226 13.9577 13.9577 14.0424 14.0424 14.2141 14.2141 14.5689 14.5689 16.6290 16.6290 17.1912 17.1912 18.0574 18.0574 18.7567 18.7567 k = 0.3542 0.2045-0.0000 ( 2087 PWs) bands (ev): 3.5318 3.5318 6.2261 6.2261 8.2197 8.2197 9.1758 9.1758 9.9339 9.9339 10.4055 10.4055 10.6341 10.6341 11.0766 11.0766 11.2634 11.2634 11.3937 11.3937 11.5210 11.5210 11.8959 11.8959 12.3729 12.3729 12.4188 12.4188 12.6909 12.6909 12.7532 12.7532 13.0930 13.0930 13.3105 13.3105 13.3527 13.3527 13.4201 13.4201 13.7959 13.7959 13.9438 13.9438 13.9740 13.9740 14.2118 14.2118 14.5446 14.5446 16.5682 16.5682 17.1424 17.1424 18.0537 18.0537 18.7480 18.7480 k = 0.3646 0.2105-0.0000 ( 2083 PWs) bands (ev): 3.6192 3.6192 6.1734 6.1734 8.1579 8.1579 9.2280 9.2280 9.9618 9.9618 10.4482 10.4482 10.6086 10.6086 11.0612 11.0612 11.2724 11.2724 11.4132 11.4132 11.5216 11.5216 11.9203 11.9203 12.3480 12.3480 12.4015 12.4015 12.6660 12.6660 12.7371 12.7371 13.0667 13.0667 13.3141 13.3141 13.3462 13.3462 13.3968 13.3968 13.7713 13.7713 13.8938 13.8938 13.9459 13.9459 14.2108 14.2108 14.5203 14.5203 16.5110 16.5110 17.0963 17.0963 18.0505 18.0505 18.7400 18.7400 k = 0.3750 0.2165-0.0000 ( 2084 PWs) bands (ev): 3.7078 3.7078 6.1155 6.1155 8.1013 8.1013 9.2800 9.2800 9.9924 9.9924 10.4912 10.4912 10.5820 10.5820 11.0423 11.0423 11.2769 11.2769 11.4324 11.4324 11.5244 11.5244 11.9438 11.9438 12.3256 12.3256 12.3845 12.3845 12.6428 12.6428 12.7204 12.7204 13.0409 13.0409 13.3157 13.3157 13.3411 13.3411 13.3764 13.3764 13.7466 13.7466 13.8314 13.8314 13.9362 13.9362 14.2103 14.2103 14.4961 14.4961 16.4574 16.4574 17.0530 17.0530 18.0477 18.0477 18.7325 18.7325 k = 0.3854 0.2225-0.0000 ( 2072 PWs) bands (ev): 3.7974 3.7974 6.0527 6.0527 8.0500 8.0500 9.3318 9.3318 10.0256 10.0256 10.5334 10.5334 10.5560 10.5560 11.0196 11.0196 11.2763 11.2763 11.4512 11.4512 11.5296 11.5296 11.9665 11.9665 12.3061 12.3061 12.3681 12.3681 12.6217 12.6217 12.7034 12.7034 13.0163 13.0163 13.3119 13.3119 13.3341 13.3341 13.3660 13.3660 13.7165 13.7165 13.7795 13.7795 13.9280 13.9280 14.2103 14.2103 14.4723 14.4723 16.4078 16.4078 17.0128 17.0128 18.0453 18.0453 18.7255 18.7255 k = 0.3958 0.2285-0.0000 ( 2076 PWs) bands (ev): 3.8878 3.8878 5.9853 5.9853 8.0041 8.0041 9.3829 9.3829 10.0612 10.0612 10.5246 10.5246 10.5800 10.5800 10.9928 10.9928 11.2703 11.2703 11.4692 11.4692 11.5369 11.5369 11.9880 11.9880 12.2895 12.2895 12.3519 12.3519 12.6027 12.6027 12.6863 12.6863 12.9933 12.9933 13.3002 13.3002 13.3230 13.3230 13.3694 13.3694 13.6734 13.6734 13.7465 13.7465 13.9198 13.9198 14.2102 14.2102 14.4492 14.4492 16.3621 16.3621 16.9757 16.9757 18.0432 18.0432 18.7192 18.7192 k = 0.4062 0.2345-0.0000 ( 2076 PWs) bands (ev): 3.9785 3.9785 5.9139 5.9139 7.9634 7.9634 9.4330 9.4330 10.0991 10.0991 10.4958 10.4958 10.6236 10.6236 10.9622 10.9622 11.2593 11.2593 11.4864 11.4864 11.5461 11.5461 12.0084 12.0084 12.2759 12.2759 12.3365 12.3365 12.5861 12.5861 12.6697 12.6697 12.9723 12.9723 13.2815 13.2815 13.3143 13.3143 13.3794 13.3794 13.6232 13.6232 13.7271 13.7271 13.9115 13.9115 14.2103 14.2103 14.4271 14.4271 16.3206 16.3206 16.9419 16.9419 18.0415 18.0415 18.7134 18.7134 k = 0.4167 0.2406-0.0000 ( 2086 PWs) bands (ev): 4.0690 4.0690 5.8394 5.8394 7.9277 7.9277 9.4816 9.4816 10.1391 10.1391 10.4661 10.4661 10.6675 10.6675 10.9279 10.9279 11.2437 11.2437 11.5025 11.5025 11.5564 11.5564 12.0277 12.0277 12.2646 12.2646 12.3217 12.3217 12.5717 12.5717 12.6538 12.6538 12.9536 12.9536 13.2600 13.2600 13.3074 13.3074 13.3914 13.3914 13.5742 13.5742 13.7135 13.7135 13.9030 13.9030 14.2104 14.2104 14.4062 14.4062 16.2832 16.2832 16.9115 16.9115 18.0399 18.0399 18.7083 18.7083 k = 0.4271 0.2466-0.0000 ( 2086 PWs) bands (ev): 4.1586 4.1586 5.7629 5.7629 7.8971 7.8971 9.5284 9.5284 10.1810 10.1810 10.4366 10.4366 10.7114 10.7114 10.8903 10.8903 11.2240 11.2240 11.5175 11.5175 11.5672 11.5672 12.0458 12.0458 12.2557 12.2557 12.3080 12.3080 12.5598 12.5598 12.6390 12.6390 12.9376 12.9376 13.2382 13.2382 13.3017 13.3017 13.4031 13.4031 13.5302 13.5302 13.7031 13.7031 13.8941 13.8941 14.2106 14.2106 14.3870 14.3870 16.2501 16.2501 16.8846 16.8846 18.0387 18.0387 18.7037 18.7037 k = 0.4375 0.2526-0.0000 ( 2086 PWs) bands (ev): 4.2465 4.2465 5.6855 5.6855 7.8712 7.8712 9.5727 9.5727 10.2244 10.2244 10.4075 10.4075 10.7551 10.7551 10.8500 10.8500 11.2006 11.2006 11.5311 11.5311 11.5778 11.5778 12.0626 12.0626 12.2485 12.2485 12.2954 12.2954 12.5501 12.5501 12.6255 12.6255 12.9242 12.9242 13.2173 13.2173 13.2966 13.2966 13.4110 13.4110 13.4949 13.4949 13.6950 13.6950 13.8852 13.8852 14.2109 14.2109 14.3698 14.3698 16.2214 16.2214 16.8612 16.8612 18.0376 18.0376 18.6998 18.6998 k = 0.4479 0.2586-0.0000 ( 2082 PWs) bands (ev): 4.3311 4.3311 5.6091 5.6091 7.8497 7.8497 9.6135 9.6135 10.2689 10.2689 10.3798 10.3798 10.7984 10.7984 10.8077 10.8077 11.1741 11.1741 11.5431 11.5431 11.5880 11.5880 12.0780 12.0780 12.2426 12.2426 12.2841 12.2841 12.5426 12.5426 12.6137 12.6137 12.9136 12.9136 13.1978 13.1978 13.2921 13.2921 13.4081 13.4081 13.4754 13.4754 13.6887 13.6887 13.8763 13.8763 14.2110 14.2110 14.3548 14.3548 16.1971 16.1971 16.8414 16.8414 18.0367 18.0367 18.6964 18.6964 k = 0.4583 0.2646-0.0000 ( 2086 PWs) bands (ev): 4.4104 4.4104 5.5361 5.5361 7.8325 7.8325 9.6499 9.6499 10.3135 10.3135 10.3542 10.3542 10.7640 10.7640 10.8413 10.8413 11.1448 11.1448 11.5531 11.5531 11.5966 11.5966 12.0917 12.0917 12.2377 12.2377 12.2743 12.2743 12.5369 12.5369 12.6037 12.6037 12.9055 12.9055 13.1805 13.1805 13.2881 13.2881 13.3922 13.3922 13.4737 13.4737 13.6838 13.6838 13.8678 13.8678 14.2112 14.2112 14.3422 14.3422 16.1771 16.1771 16.8251 16.8251 18.0361 18.0361 18.6937 18.6937 k = 0.4688 0.2706-0.0000 ( 2086 PWs) bands (ev): 4.4813 4.4813 5.4698 5.4698 7.8193 7.8193 9.6807 9.6807 10.3314 10.3314 10.3580 10.3580 10.7207 10.7207 10.8834 10.8834 11.1130 11.1130 11.5612 11.5612 11.6037 11.6037 12.1035 12.1035 12.2335 12.2335 12.2664 12.2664 12.5329 12.5329 12.5956 12.5956 12.8998 12.8998 13.1661 13.1661 13.2847 13.2847 13.3735 13.3735 13.4795 13.4795 13.6803 13.6803 13.8603 13.8603 14.2113 14.2113 14.3323 14.3323 16.1615 16.1615 16.8125 16.8125 18.0355 18.0355 18.6915 18.6915 k = 0.4792 0.2766-0.0000 ( 2078 PWs) bands (ev): 4.5391 4.5391 5.4150 5.4150 7.8100 7.8100 9.7042 9.7042 10.3143 10.3143 10.3985 10.3985 10.6804 10.6804 10.9246 10.9246 11.0792 11.0792 11.5672 11.5672 11.6090 11.6090 12.1126 12.1126 12.2302 12.2302 12.2606 12.2606 12.5304 12.5304 12.5898 12.5898 12.8961 12.8961 13.1553 13.1553 13.2821 13.2821 13.3586 13.3586 13.4861 13.4861 13.6780 13.6780 13.8544 13.8544 14.2115 14.2115 14.3252 14.3252 16.1504 16.1504 16.8035 16.8035 18.0352 18.0352 18.6900 18.6900 k = 0.4896 0.2827-0.0000 ( 2076 PWs) bands (ev): 4.5780 4.5780 5.3780 5.3780 7.8045 7.8045 9.7191 9.7191 10.3031 10.3031 10.4306 10.4306 10.6485 10.6485 10.9642 10.9642 11.0439 11.0439 11.5709 11.5709 11.6121 11.6121 12.1186 12.1186 12.2280 12.2280 12.2569 12.2569 12.5291 12.5291 12.5863 12.5863 12.8941 12.8941 13.1484 13.1484 13.2803 13.2803 13.3494 13.3494 13.4906 13.4906 13.6766 13.6766 13.8506 13.8506 14.2115 14.2115 14.3208 14.3208 16.1438 16.1438 16.7980 16.7980 18.0349 18.0349 18.6891 18.6891 k = 0.5000 0.2887-0.0000 ( 2066 PWs) bands (ev): 4.5918 4.5918 5.3647 5.3647 7.8027 7.8027 9.7243 9.7243 10.2992 10.2992 10.4439 10.4439 10.6353 10.6353 10.9942 10.9942 11.0153 11.0153 11.5721 11.5721 11.6134 11.6134 12.1210 12.1210 12.2273 12.2273 12.2559 12.2559 12.5286 12.5286 12.5851 12.5851 12.8934 12.8934 13.1461 13.1461 13.2798 13.2798 13.3463 13.3463 13.4924 13.4924 13.6763 13.6763 13.8492 13.8492 14.2115 14.2115 14.3194 14.3194 16.1416 16.1416 16.7963 16.7963 18.0349 18.0349 18.6888 18.6888 k = 0.5000 0.2887-0.0000 ( 2066 PWs) bands (ev): 4.5918 4.5918 5.3647 5.3647 7.8027 7.8027 9.7243 9.7243 10.2992 10.2992 10.4439 10.4439 10.6353 10.6353 10.9942 10.9942 11.0153 11.0153 11.5721 11.5721 11.6134 11.6134 12.1210 12.1210 12.2273 12.2273 12.2559 12.2559 12.5286 12.5286 12.5851 12.5851 12.8934 12.8934 13.1461 13.1461 13.2798 13.2798 13.3463 13.3463 13.4924 13.4924 13.6763 13.6763 13.8492 13.8492 14.2115 14.2115 14.3194 14.3194 16.1416 16.1416 16.7963 16.7963 18.0349 18.0349 18.6888 18.6888 k = 0.4940 0.2990-0.0000 ( 2072 PWs) bands (ev): 4.5929 4.5929 5.3654 5.3654 7.8030 7.8030 9.7254 9.7254 10.2993 10.2993 10.4339 10.4339 10.6276 10.6276 11.0005 11.0005 11.0231 11.0231 11.5700 11.5700 11.6142 11.6142 12.1212 12.1212 12.2276 12.2276 12.2563 12.2563 12.5274 12.5274 12.5856 12.5856 12.8933 12.8933 13.1454 13.1454 13.2794 13.2794 13.3463 13.3463 13.4925 13.4925 13.6755 13.6755 13.8465 13.8465 14.2155 14.2155 14.3194 14.3194 16.1420 16.1420 16.7940 16.7940 18.0424 18.0424 18.6766 18.6766 k = 0.4881 0.3093-0.0000 ( 2074 PWs) bands (ev): 4.5960 4.5960 5.3676 5.3676 7.8041 7.8041 9.7288 9.7288 10.2998 10.2998 10.4055 10.4055 10.6062 10.6062 11.0183 11.0183 11.0444 11.0444 11.5640 11.5640 11.6172 11.6172 12.1218 12.1218 12.2288 12.2288 12.2582 12.2582 12.5238 12.5238 12.5870 12.5870 12.8931 12.8931 13.1432 13.1432 13.2784 13.2784 13.3461 13.3461 13.4929 13.4929 13.6731 13.6731 13.8387 13.8387 14.2272 14.2272 14.3194 14.3194 16.1434 16.1434 16.7872 16.7872 18.0647 18.0647 18.6409 18.6409 k = 0.4821 0.3196-0.0000 ( 2078 PWs) bands (ev): 4.6013 4.6013 5.3712 5.3712 7.8058 7.8058 9.7343 9.7343 10.3004 10.3004 10.3621 10.3621 10.5746 10.5746 11.0450 11.0450 11.0751 11.0751 11.5540 11.5540 11.6221 11.6221 12.1228 12.1228 12.2308 12.2308 12.2613 12.2613 12.5181 12.5181 12.5892 12.5892 12.8926 12.8926 13.1397 13.1397 13.2768 13.2768 13.3462 13.3462 13.4936 13.4936 13.6692 13.6692 13.8269 13.8269 14.2455 14.2455 14.3195 14.3195 16.1457 16.1457 16.7758 16.7758 18.1018 18.1018 18.5842 18.5842 k = 0.4762 0.3299-0.0000 ( 2082 PWs) bands (ev): 4.6086 4.6086 5.3761 5.3761 7.8080 7.8080 9.7421 9.7421 10.2983 10.2983 10.3105 10.3105 10.5362 10.5362 11.0776 11.0776 11.1113 11.1113 11.5402 11.5402 11.6288 11.6288 12.1243 12.1243 12.2336 12.2336 12.2655 12.2655 12.5103 12.5103 12.5921 12.5921 12.8919 12.8919 13.1349 13.1349 13.2742 13.2742 13.3462 13.3462 13.4947 13.4947 13.6638 13.6638 13.8122 13.8122 14.2691 14.2691 14.3199 14.3199 16.1489 16.1489 16.7599 16.7599 18.1534 18.1534 18.5100 18.5100 k = 0.4702 0.3402-0.0000 ( 2082 PWs) bands (ev): 4.6181 4.6181 5.3824 5.3824 7.8107 7.8107 9.7521 9.7521 10.2429 10.2429 10.3041 10.3041 10.4935 10.4935 11.1135 11.1135 11.1504 11.1504 11.5230 11.5230 11.6375 11.6375 12.1263 12.1263 12.2372 12.2372 12.2710 12.2710 12.5009 12.5009 12.5956 12.5956 12.8910 12.8910 13.1290 13.1290 13.2707 13.2707 13.3461 13.3461 13.4961 13.4961 13.6569 13.6569 13.7957 13.7957 14.2954 14.2954 14.3222 14.3222 16.1530 16.1530 16.7395 16.7395 18.2190 18.2190 18.4220 18.4220 k = 0.4643 0.3505-0.0000 ( 2078 PWs) bands (ev): 4.6296 4.6296 5.3900 5.3900 7.8136 7.8136 9.7642 9.7642 10.1741 10.1741 10.3056 10.3056 10.4483 10.4483 11.1507 11.1507 11.1906 11.1906 11.5023 11.5023 11.6482 11.6482 12.1286 12.1286 12.2417 12.2417 12.2776 12.2776 12.4902 12.4902 12.5994 12.5994 12.8899 12.8899 13.1222 13.1222 13.2661 13.2661 13.3459 13.3459 13.4979 13.4979 13.6485 13.6485 13.7785 13.7785 14.3120 14.3120 14.3377 14.3377 16.1579 16.1579 16.7146 16.7146 18.2969 18.2969 18.3247 18.3247 k = 0.4583 0.3608-0.0000 ( 2082 PWs) bands (ev): 4.6432 4.6432 5.3987 5.3987 7.8166 7.8166 9.7786 9.7786 10.1010 10.1010 10.3075 10.3075 10.4015 10.4015 11.1878 11.1878 11.2310 11.2310 11.4784 11.4784 11.6609 11.6609 12.1311 12.1311 12.2470 12.2470 12.2852 12.2852 12.4785 12.4785 12.6035 12.6035 12.8885 12.8885 13.1147 13.1147 13.2601 13.2601 13.3454 13.3454 13.5000 13.5000 13.6387 13.6387 13.7612 13.7612 14.3146 14.3146 14.3699 14.3699 16.1635 16.1635 16.6853 16.6853 18.2169 18.2169 18.3909 18.3909 k = 0.4524 0.3712-0.0000 ( 2086 PWs) bands (ev): 4.6588 4.6588 5.4085 5.4085 7.8192 7.8192 9.7950 9.7950 10.0253 10.0253 10.3089 10.3089 10.3546 10.3546 11.2240 11.2240 11.2707 11.2707 11.4516 11.4516 11.6754 11.6754 12.1337 12.1337 12.2531 12.2531 12.2938 12.2938 12.4661 12.4661 12.6076 12.6076 12.8869 12.8869 13.1066 13.1066 13.2528 13.2528 13.3444 13.3444 13.5025 13.5025 13.6275 13.6275 13.7444 13.7444 14.3149 14.3149 14.4068 14.4068 16.1699 16.1699 16.6516 16.6516 18.1060 18.1060 18.4955 18.4955 k = 0.4464 0.3815-0.0000 ( 2090 PWs) bands (ev): 4.6765 4.6765 5.4192 5.4192 7.8214 7.8214 9.8136 9.8136 9.9484 9.9484 10.2975 10.2975 10.3204 10.3204 11.2583 11.2583 11.3094 11.3094 11.4224 11.4224 11.6918 11.6918 12.1364 12.1364 12.2600 12.2600 12.3033 12.3033 12.4536 12.4536 12.6117 12.6117 12.8851 12.8851 13.0980 13.0980 13.2440 13.2440 13.3428 13.3428 13.5052 13.5052 13.6150 13.6150 13.7284 13.7284 14.3148 14.3148 14.4463 14.4463 16.1770 16.1770 16.6137 16.6137 17.9921 17.9921 18.6120 18.6120 k = 0.4405 0.3918-0.0000 ( 2090 PWs) bands (ev): 4.6961 4.6961 5.4306 5.4306 7.8225 7.8225 9.8341 9.8341 9.8717 9.8717 10.2530 10.2530 10.3193 10.3193 11.2895 11.2895 11.3465 11.3465 11.3923 11.3923 11.7099 11.7099 12.1390 12.1390 12.2678 12.2678 12.3136 12.3136 12.4418 12.4418 12.6157 12.6157 12.8831 12.8831 13.0891 13.0891 13.2341 13.2341 13.3405 13.3405 13.5079 13.5079 13.6015 13.6015 13.7135 13.7135 14.3145 14.3145 14.4876 14.4876 16.1849 16.1849 16.5716 16.5716 17.8768 17.8768 18.7397 18.7397 k = 0.4345 0.4021-0.0000 ( 2090 PWs) bands (ev): 4.7178 4.7178 5.4427 5.4427 7.8224 7.8224 9.7955 9.7955 9.8573 9.8573 10.2046 10.2046 10.3225 10.3225 11.3118 11.3118 11.3644 11.3644 11.3841 11.3841 11.7295 11.7295 12.1412 12.1412 12.2761 12.2761 12.3243 12.3243 12.4316 12.4316 12.6194 12.6194 12.8807 12.8807 13.0801 13.0801 13.2229 13.2229 13.3375 13.3375 13.5106 13.5106 13.5872 13.5872 13.6998 13.6998 14.3140 14.3140 14.5307 14.5307 16.1934 16.1934 16.5256 16.5256 17.7615 17.7615 18.8779 18.8779 k = 0.4286 0.4124-0.0000 ( 2086 PWs) bands (ev): 4.7414 4.7414 5.4551 5.4551 7.8204 7.8204 9.7223 9.7223 9.8819 9.8819 10.1560 10.1560 10.3264 10.3264 11.3014 11.3014 11.3678 11.3678 11.4174 11.4174 11.7503 11.7503 12.1430 12.1430 12.2845 12.2845 12.3354 12.3354 12.4239 12.4239 12.6228 12.6228 12.8781 12.8781 13.0709 13.0709 13.2106 13.2106 13.3333 13.3333 13.5127 13.5127 13.5726 13.5726 13.6878 13.6878 14.3135 14.3135 14.5753 14.5753 16.2026 16.2026 16.4759 16.4759 17.6473 17.6473 19.0258 19.0258 k = 0.4226 0.4227-0.0000 ( 2092 PWs) bands (ev): 4.7669 4.7669 5.4676 5.4676 7.8161 7.8161 9.6524 9.6524 9.9085 9.9085 10.1076 10.1076 10.3309 10.3309 11.2672 11.2672 11.3899 11.3899 11.4497 11.4497 11.7716 11.7716 12.1438 12.1438 12.2925 12.2925 12.3461 12.3461 12.4204 12.4204 12.6257 12.6257 12.8750 12.8750 13.0616 13.0616 13.1973 13.1973 13.3280 13.3280 13.5130 13.5130 13.5586 13.5586 13.6768 13.6768 14.3131 14.3131 14.6210 14.6210 16.2126 16.2126 16.4227 16.4227 17.5351 17.5351 19.1829 19.1829 k = 0.4167 0.4330-0.0000 ( 2088 PWs) bands (ev): 4.7944 4.7944 5.4799 5.4799 7.8090 7.8090 9.5873 9.5873 9.9369 9.9369 10.0596 10.0596 10.3359 10.3359 11.2271 11.2271 11.4139 11.4139 11.4803 11.4803 11.7933 11.7933 12.1435 12.1435 12.2992 12.2992 12.3565 12.3565 12.4228 12.4228 12.6283 12.6283 12.8718 12.8718 13.0523 13.0523 13.1833 13.1833 13.3216 13.3216 13.5093 13.5093 13.5478 13.5478 13.6675 13.6675 14.3126 14.3126 14.6681 14.6681 16.2232 16.2232 16.3663 16.3663 17.4258 17.4258 19.3485 19.3485 k = 0.4107 0.4433-0.0000 ( 2094 PWs) bands (ev): 4.8237 4.8237 5.4917 5.4917 7.7987 7.7987 9.5280 9.5280 9.9662 9.9662 10.0131 10.0131 10.3413 10.3413 11.1842 11.1842 11.4367 11.4367 11.5093 11.5093 11.8147 11.8147 12.1417 12.1417 12.3037 12.3037 12.3666 12.3666 12.4316 12.4316 12.6303 12.6303 12.8682 12.8682 13.0429 13.0429 13.1686 13.1686 13.3139 13.3139 13.4991 13.4991 13.5426 13.5426 13.6596 13.6596 14.3121 14.3121 14.7162 14.7162 16.2343 16.2343 16.3072 16.3072 17.3199 17.3199 19.5218 19.5218 k = 0.4048 0.4536-0.0000 ( 2094 PWs) bands (ev): 4.8548 4.8548 5.5025 5.5025 7.7850 7.7850 9.4754 9.4754 9.9614 9.9614 10.0030 10.0030 10.3472 10.3472 11.1393 11.1393 11.4580 11.4580 11.5368 11.5368 11.8355 11.8355 12.1383 12.1383 12.3061 12.3061 12.3776 12.3776 12.4464 12.4464 12.6319 12.6319 12.8644 12.8644 13.0335 13.0335 13.1536 13.1536 13.3051 13.3051 13.4837 13.4837 13.5418 13.5418 13.6531 13.6531 14.3115 14.3115 14.7655 14.7655 16.2401 16.2401 16.2516 16.2516 17.2182 17.2182 19.6091 19.6091 k = 0.3988 0.4639-0.0000 ( 2082 PWs) bands (ev): 4.8877 4.8877 5.5119 5.5119 7.7678 7.7678 9.4305 9.4305 9.9164 9.9164 10.0357 10.0357 10.3535 10.3535 11.0926 11.0926 11.4777 11.4777 11.5629 11.5629 11.8552 11.8552 12.1331 12.1331 12.3073 12.3073 12.3898 12.3898 12.4661 12.4661 12.6332 12.6332 12.8603 12.8603 13.0240 13.0240 13.1386 13.1386 13.2953 13.2953 13.4658 13.4658 13.5427 13.5427 13.6481 13.6481 14.3111 14.3111 14.8160 14.8160 16.1805 16.1805 16.2602 16.2602 17.1212 17.1212 19.5632 19.5632 k = 0.3929 0.4743-0.0000 ( 2090 PWs) bands (ev): 4.9223 4.9223 5.5193 5.5193 7.7470 7.7470 9.3937 9.3937 9.8706 9.8706 10.0710 10.0710 10.3602 10.3602 11.0444 11.0444 11.4955 11.4955 11.5876 11.5876 11.8734 11.8734 12.1260 12.1260 12.3082 12.3082 12.4025 12.4025 12.4896 12.4896 12.6337 12.6337 12.8557 12.8557 13.0141 13.0141 13.1235 13.1235 13.2845 13.2845 13.4467 13.4467 13.5442 13.5442 13.6444 13.6444 14.3107 14.3107 14.8673 14.8673 16.1149 16.1149 16.2735 16.2735 17.0292 17.0292 19.5221 19.5221 k = 0.3869 0.4846-0.0000 ( 2098 PWs) bands (ev): 4.9586 4.9586 5.5243 5.5243 7.7233 7.7233 9.3658 9.3658 9.8253 9.8253 10.1081 10.1081 10.3674 10.3674 10.9947 10.9947 11.5115 11.5115 11.6110 11.6110 11.8900 11.8900 12.1171 12.1171 12.3094 12.3094 12.4154 12.4154 12.5162 12.5162 12.6341 12.6341 12.8509 12.8509 13.0036 13.0036 13.1088 13.1088 13.2730 13.2730 13.4270 13.4270 13.5456 13.5456 13.6418 13.6418 14.3102 14.3102 14.9196 14.9196 16.0478 16.0478 16.2877 16.2877 16.9428 16.9428 19.4860 19.4860 k = 0.3810 0.4949-0.0000 ( 2098 PWs) bands (ev): 4.9965 4.9965 5.5261 5.5261 7.6971 7.6971 9.3465 9.3465 9.7808 9.7808 10.1469 10.1469 10.3750 10.3750 10.9439 10.9439 11.5258 11.5258 11.6330 11.6330 11.9050 11.9050 12.1072 12.1072 12.3113 12.3113 12.4280 12.4280 12.5456 12.5456 12.6343 12.6343 12.8457 12.8457 12.9924 12.9924 13.0946 13.0946 13.2615 13.2615 13.4073 13.4073 13.5468 13.5468 13.6402 13.6402 14.3098 14.3098 14.9729 14.9729 15.9797 15.9797 16.3027 16.3027 16.8624 16.8624 19.4545 19.4545 k = 0.3750 0.5052-0.0000 ( 2098 PWs) bands (ev): 5.0360 5.0360 5.5240 5.5240 7.6696 7.6696 9.3359 9.3359 9.7372 9.7372 10.1870 10.1870 10.3831 10.3831 10.8920 10.8920 11.5383 11.5383 11.6536 11.6536 11.9185 11.9185 12.0963 12.0963 12.3138 12.3138 12.4400 12.4400 12.5772 12.5772 12.6343 12.6343 12.8402 12.8402 12.9800 12.9800 13.0813 13.0813 13.2502 13.2502 13.3879 13.3879 13.5478 13.5478 13.6394 13.6394 14.3094 14.3094 15.0272 15.0272 15.9110 15.9110 16.3184 16.3184 16.7883 16.7883 19.4275 19.4275 k = 0.3690 0.5155-0.0000 ( 2088 PWs) bands (ev): 5.0770 5.0770 5.5175 5.5175 7.6419 7.6419 9.3336 9.3336 9.6943 9.6943 10.2284 10.2284 10.3916 10.3916 10.8391 10.8391 11.5492 11.5492 11.6726 11.6726 11.9309 11.9309 12.0849 12.0849 12.3169 12.3169 12.4509 12.4509 12.6103 12.6103 12.6345 12.6345 12.8346 12.8346 12.9660 12.9660 13.0689 13.0689 13.2401 13.2401 13.3692 13.3692 13.5486 13.5486 13.6393 13.6393 14.3092 14.3092 15.0824 15.0824 15.8423 15.8423 16.3348 16.3348 16.7209 16.7209 19.4048 19.4048 k = 0.3631 0.5258-0.0000 ( 2082 PWs) bands (ev): 5.1194 5.1194 5.5057 5.5057 7.6154 7.6154 9.3390 9.3390 9.6526 9.6526 10.2708 10.2708 10.4006 10.4006 10.7854 10.7854 11.5582 11.5582 11.6895 11.6895 11.9422 11.9422 12.0733 12.0733 12.3202 12.3202 12.4604 12.4604 12.6343 12.6343 12.6448 12.6448 12.8288 12.8288 12.9500 12.9500 13.0580 13.0580 13.2314 13.2314 13.3514 13.3514 13.5493 13.5493 13.6395 13.6395 14.3090 14.3090 15.1385 15.1385 15.7739 15.7739 16.3518 16.3518 16.6604 16.6604 19.3860 19.3860 k = 0.3571 0.5361-0.0000 ( 2082 PWs) bands (ev): 5.1631 5.1631 5.4880 5.4880 7.5912 7.5912 9.3514 9.3514 9.6117 9.6117 10.3138 10.3138 10.4100 10.4100 10.7311 10.7311 11.5655 11.5655 11.7040 11.7040 11.9526 11.9526 12.0618 12.0618 12.3234 12.3234 12.4683 12.4683 12.6348 12.6348 12.6788 12.6788 12.8230 12.8230 12.9318 12.9318 13.0484 13.0484 13.2247 13.2247 13.3351 13.3351 13.5499 13.5499 13.6398 13.6398 14.3088 14.3088 15.1952 15.1952 15.7062 15.7062 16.3694 16.3694 16.6071 16.6071 19.3710 19.3710 k = 0.3512 0.5464-0.0000 ( 2086 PWs) bands (ev): 5.2081 5.2081 5.4639 5.4639 7.5709 7.5709 9.3702 9.3702 9.5718 9.5718 10.3569 10.3569 10.4199 10.4199 10.6766 10.6766 11.5711 11.5711 11.7158 11.7158 11.9621 11.9621 12.0509 12.0509 12.3262 12.3262 12.4742 12.4742 12.6351 12.6351 12.7121 12.7121 12.8176 12.8176 12.9115 12.9115 13.0407 13.0407 13.2202 13.2202 13.3208 13.3208 13.5503 13.5503 13.6401 13.6401 14.3087 14.3087 15.2524 15.2524 15.6400 15.6400 16.3871 16.3871 16.5615 16.5615 19.3597 19.3597 k = 0.3452 0.5567-0.0000 ( 2086 PWs) bands (ev): 5.2543 5.2543 5.4330 5.4330 7.5554 7.5554 9.3945 9.3945 9.5332 9.5332 10.3987 10.3987 10.4309 10.4309 10.6232 10.6232 11.5751 11.5751 11.7244 11.7244 11.9707 11.9707 12.0416 12.0416 12.3286 12.3286 12.4785 12.4785 12.6355 12.6355 12.7426 12.7426 12.8139 12.8139 12.8896 12.8896 13.0350 13.0350 13.2180 13.2180 13.3092 13.3092 13.5508 13.5508 13.6403 13.6403 14.3086 14.3086 15.3093 15.3093 15.5763 15.5763 16.4042 16.4042 16.5243 16.5243 19.3517 19.3517 k = 0.3393 0.5670-0.0000 ( 2082 PWs) bands (ev): 5.3016 5.3016 5.3950 5.3950 7.5456 7.5456 9.4235 9.4235 9.4961 9.4961 10.4313 10.4313 10.4463 10.4463 10.5748 10.5748 11.5774 11.5774 11.7296 11.7296 11.9771 11.9771 12.0350 12.0350 12.3303 12.3303 12.4809 12.4809 12.6359 12.6359 12.7653 12.7653 12.8156 12.8156 12.8678 12.8678 13.0315 13.0315 13.2175 13.2175 13.3014 13.3014 13.5511 13.5511 13.6405 13.6405 14.3086 14.3086 15.3628 15.3628 15.5185 15.5185 16.4186 16.4186 16.4980 16.4980 19.3471 19.3471 k = 0.3333 0.5774-0.0000 ( 2082 PWs) bands (ev): 5.3497 5.3497 5.3499 5.3499 7.5423 7.5423 9.4495 9.4495 9.4676 9.4676 10.4429 10.4429 10.4594 10.4594 10.5501 10.5501 11.5781 11.5781 11.7314 11.7314 11.9796 11.9796 12.0325 12.0325 12.3309 12.3309 12.4817 12.4817 12.6361 12.6361 12.7726 12.7726 12.8220 12.8220 12.8547 12.8547 13.0304 13.0304 13.2175 13.2175 13.2986 13.2986 13.5512 13.5512 13.6405 13.6405 14.3086 14.3086 15.3933 15.3933 15.4865 15.4865 16.4247 16.4247 16.4880 16.4880 19.3456 19.3456 k = 0.3333 0.5774-0.0000 ( 2082 PWs) bands (ev): 5.3497 5.3497 5.3499 5.3499 7.5423 7.5423 9.4495 9.4495 9.4676 9.4676 10.4429 10.4429 10.4594 10.4594 10.5501 10.5501 11.5781 11.5781 11.7314 11.7314 11.9796 11.9796 12.0325 12.0325 12.3309 12.3309 12.4817 12.4817 12.6361 12.6361 12.7726 12.7726 12.8220 12.8220 12.8547 12.8547 13.0304 13.0304 13.2175 13.2175 13.2986 13.2986 13.5512 13.5512 13.6405 13.6405 14.3086 14.3086 15.3933 15.3933 15.4865 15.4865 16.4247 16.4247 16.4880 16.4880 19.3456 19.3456 k = 0.3273 0.5669-0.0000 ( 2082 PWs) bands (ev): 5.2967 5.2967 5.3998 5.3998 7.5458 7.5458 9.4217 9.4217 9.4979 9.4979 10.4164 10.4164 10.4637 10.4637 10.5722 10.5722 11.5774 11.5774 11.7296 11.7296 11.9772 11.9772 12.0347 12.0347 12.3302 12.3302 12.4810 12.4810 12.6359 12.6359 12.7679 12.7679 12.8115 12.8115 12.8697 12.8697 13.0316 13.0316 13.2173 13.2173 13.3018 13.3018 13.5510 13.5510 13.6405 13.6405 14.3086 14.3086 15.3624 15.3624 15.5191 15.5191 16.4203 16.4203 16.4965 16.4965 19.3471 19.3471 k = 0.3212 0.5564-0.0000 ( 2086 PWs) bands (ev): 5.2366 5.2366 5.4506 5.4506 7.5565 7.5565 9.3879 9.3879 9.5387 9.5387 10.3641 10.3641 10.4747 10.4747 10.6135 10.6135 11.5752 11.5752 11.7244 11.7244 11.9714 11.9714 12.0390 12.0390 12.3279 12.3279 12.4790 12.4790 12.6350 12.6350 12.7564 12.7564 12.7971 12.7971 12.8957 12.8957 13.0352 13.0352 13.2165 13.2165 13.3112 13.3112 13.5503 13.5503 13.6406 13.6406 14.3086 14.3086 15.3097 15.3097 15.5769 15.5769 16.4140 16.4140 16.5150 16.5150 19.3517 19.3517 k = 0.3152 0.5459-0.0000 ( 2084 PWs) bands (ev): 5.1702 5.1702 5.5020 5.5020 7.5743 7.5743 9.3553 9.3553 9.5825 9.5825 10.3064 10.3064 10.4867 10.4867 10.6592 10.6592 11.5717 11.5717 11.7162 11.7162 11.9641 11.9641 12.0428 12.0428 12.3240 12.3240 12.4764 12.4764 12.6336 12.6336 12.7414 12.7414 12.7876 12.7876 12.9227 12.9227 13.0411 13.0411 13.2158 13.2158 13.3263 13.3263 13.5489 13.5489 13.6411 13.6411 14.3085 14.3085 15.2552 15.2552 15.6401 15.6401 16.4116 16.4116 16.5375 16.5375 19.3591 19.3591 k = 0.3091 0.5354-0.0000 ( 2082 PWs) bands (ev): 5.0981 5.0981 5.5539 5.5539 7.5989 7.5989 9.3241 9.3241 9.6283 9.6283 10.2467 10.2467 10.4992 10.4992 10.7061 10.7061 11.5670 11.5670 11.7050 11.7050 11.9564 11.9564 12.0436 12.0436 12.3186 12.3186 12.4731 12.4731 12.6315 12.6315 12.7270 12.7270 12.7820 12.7820 12.9490 12.9490 13.0491 13.0491 13.2161 13.2161 13.3457 13.3457 13.5465 13.5465 13.6423 13.6423 14.3083 14.3083 15.2023 15.2023 15.7056 15.7056 16.4148 16.4148 16.5623 16.5623 19.3694 19.3694 k = 0.3030 0.5249-0.0000 ( 2082 PWs) bands (ev): 5.0209 5.0209 5.6061 5.6061 7.6300 7.6300 9.2945 9.2945 9.6756 9.6756 10.1860 10.1860 10.5120 10.5120 10.7530 10.7530 11.5613 11.5613 11.6914 11.6914 11.9487 11.9487 12.0395 12.0395 12.3113 12.3113 12.4698 12.4698 12.6287 12.6287 12.7166 12.7166 12.7792 12.7792 12.9742 12.9742 13.0590 13.0590 13.2180 13.2180 13.3686 13.3686 13.5429 13.5429 13.6443 13.6443 14.3080 14.3080 15.1518 15.1518 15.7727 15.7727 16.4241 16.4241 16.5885 16.5885 19.3824 19.3824 k = 0.2970 0.5144-0.0000 ( 2082 PWs) bands (ev): 4.9394 4.9394 5.6585 5.6585 7.6670 7.6670 9.2666 9.2666 9.7236 9.7236 10.1247 10.1247 10.5251 10.5251 10.7994 10.7994 11.5547 11.5547 11.6754 11.6754 11.9414 11.9414 12.0295 12.0295 12.3023 12.3023 12.4670 12.4670 12.6253 12.6253 12.7121 12.7121 12.7786 12.7786 12.9984 12.9984 13.0705 13.0705 13.2220 13.2220 13.3941 13.3941 13.5382 13.5382 13.6472 13.6472 14.3075 14.3075 15.1042 15.1042 15.8410 15.8410 16.4394 16.4394 16.6162 16.6162 19.3981 19.3981 k = 0.2909 0.5039-0.0000 ( 2086 PWs) bands (ev): 4.8541 4.8541 5.7109 5.7109 7.7095 7.7095 9.2406 9.2406 9.7717 9.7717 10.0630 10.0630 10.5384 10.5384 10.8449 10.8449 11.5472 11.5472 11.6576 11.6576 11.9341 11.9341 12.0133 12.0133 12.2919 12.2919 12.4649 12.4649 12.6215 12.6215 12.7143 12.7143 12.7798 12.7798 13.0217 13.0217 13.0834 13.0834 13.2282 13.2282 13.4212 13.4212 13.5324 13.5324 13.6514 13.6514 14.3068 14.3068 15.0596 15.0596 15.9105 15.9105 16.4607 16.4607 16.6450 16.6450 19.4166 19.4166 k = 0.2848 0.4934-0.0000 ( 2094 PWs) bands (ev): 4.7659 4.7659 5.7631 5.7631 7.7570 7.7570 9.2165 9.2165 9.8193 9.8193 10.0012 10.0012 10.5519 10.5519 10.8891 10.8891 11.5390 11.5390 11.6381 11.6381 11.9267 11.9267 11.9917 11.9917 12.2803 12.2803 12.4639 12.4639 12.6176 12.6176 12.7232 12.7232 12.7827 12.7827 13.0442 13.0442 13.0972 13.0972 13.2369 13.2369 13.4488 13.4488 13.5261 13.5261 13.6569 13.6569 14.3057 14.3057 15.0182 15.0182 15.9810 15.9810 16.4876 16.4876 16.6750 16.6750 19.4377 19.4377 k = 0.2788 0.4829-0.0000 ( 2098 PWs) bands (ev): 4.6753 4.6753 5.8149 5.8149 7.8090 7.8090 9.1946 9.1946 9.8652 9.8652 9.9401 9.9401 10.5656 10.5656 10.9317 10.9317 11.5299 11.5299 11.6176 11.6176 11.9177 11.9177 11.9670 11.9670 12.2676 12.2676 12.4640 12.4640 12.6138 12.6138 12.7386 12.7386 12.7874 12.7874 13.0663 13.0663 13.1119 13.1119 13.2481 13.2481 13.4743 13.4743 13.5219 13.5219 13.6635 13.6635 14.3043 14.3043 14.9802 14.9802 16.0525 16.0525 16.5200 16.5200 16.7061 16.7061 19.4614 19.4614 k = 0.2727 0.4724-0.0000 ( 2090 PWs) bands (ev): 4.5828 4.5828 5.8662 5.8662 7.8651 7.8651 9.1748 9.1748 9.8733 9.8733 9.9151 9.9151 10.5796 10.5796 10.9723 10.9723 11.5196 11.5196 11.5970 11.5970 11.9023 11.9023 11.9450 11.9450 12.2543 12.2543 12.4655 12.4655 12.6104 12.6104 12.7595 12.7595 12.7939 12.7939 13.0885 13.0885 13.1273 13.1273 13.2623 13.2623 13.4877 13.4877 13.5297 13.5297 13.6715 13.6715 14.3028 14.3028 14.9456 14.9456 16.1250 16.1250 16.5576 16.5576 16.7385 16.7385 19.4878 19.4878 k = 0.2667 0.4619-0.0000 ( 2090 PWs) bands (ev): 4.4890 4.4890 5.9166 5.9166 7.9249 7.9249 9.1573 9.1573 9.8133 9.8133 9.9559 9.9559 10.5937 10.5937 11.0106 11.0106 11.5069 11.5069 11.5774 11.5774 11.8752 11.8752 11.9324 11.9324 12.2406 12.2406 12.4680 12.4680 12.6076 12.6076 12.7841 12.7841 12.8029 12.8029 13.1107 13.1107 13.1429 13.1429 13.2792 13.2792 13.4843 13.4843 13.5539 13.5539 13.6805 13.6805 14.3007 14.3007 14.9143 14.9143 16.1983 16.1983 16.6001 16.6001 16.7722 16.7722 19.5170 19.5170 k = 0.2606 0.4514-0.0000 ( 2090 PWs) bands (ev): 4.3943 4.3943 5.9661 5.9661 7.9879 7.9879 9.1422 9.1422 9.7516 9.7516 9.9957 9.9957 10.6079 10.6079 11.0463 11.0463 11.4902 11.4902 11.5609 11.5609 11.8403 11.8403 11.9263 11.9263 12.2270 12.2270 12.4716 12.4716 12.6056 12.6056 12.8048 12.8048 12.8205 12.8205 13.1333 13.1333 13.1588 13.1588 13.2990 13.2990 13.4752 13.4752 13.5838 13.5838 13.6906 13.6906 14.2981 14.2981 14.8864 14.8864 16.2724 16.2724 16.6472 16.6472 16.8071 16.8071 19.5488 19.5488 k = 0.2545 0.4409-0.0000 ( 2090 PWs) bands (ev): 4.2992 4.2992 6.0143 6.0143 8.0538 8.0538 9.1297 9.1297 9.6899 9.6899 10.0323 10.0323 10.6221 10.6221 11.0791 11.0791 11.4687 11.4687 11.5486 11.5486 11.8022 11.8022 11.9228 11.9228 12.2143 12.2143 12.4764 12.4764 12.6047 12.6047 12.8170 12.8170 12.8506 12.8506 13.1567 13.1567 13.1747 13.1747 13.3216 13.3216 13.4646 13.4646 13.6153 13.6153 13.7018 13.7018 14.2951 14.2951 14.8617 14.8617 16.3473 16.3473 16.6985 16.6985 16.8433 16.8433 19.5834 19.5834 k = 0.2485 0.4304-0.0000 ( 2086 PWs) bands (ev): 4.2039 4.2039 6.0611 6.0611 8.1222 8.1222 9.1197 9.1197 9.6285 9.6285 10.0650 10.0650 10.6364 10.6364 11.1088 11.1088 11.4425 11.4425 11.5406 11.5406 11.7631 11.7631 11.9203 11.9203 12.2033 12.2033 12.4822 12.4822 12.6051 12.6051 12.8284 12.8284 12.8842 12.8842 13.1808 13.1808 13.1908 13.1908 13.3472 13.3472 13.4538 13.4538 13.6476 13.6476 13.7141 13.7141 14.2916 14.2916 14.8402 14.8402 16.4228 16.4228 16.7536 16.7536 16.8810 16.8810 19.6207 19.6207 k = 0.2424 0.4199-0.0000 ( 2092 PWs) bands (ev): 4.1088 4.1088 6.1062 6.1062 8.1929 8.1929 9.1125 9.1125 9.5673 9.5673 10.0933 10.0933 10.6506 10.6506 11.1351 11.1351 11.4129 11.4129 11.5357 11.5357 11.7240 11.7240 11.9178 11.9178 12.1946 12.1946 12.4887 12.4887 12.6070 12.6070 12.8403 12.8403 12.9188 12.9188 13.2030 13.2030 13.2098 13.2098 13.3745 13.3745 13.4441 13.4441 13.6802 13.6802 13.7278 13.7278 14.2877 14.2877 14.8217 14.8217 16.4989 16.4989 16.8122 16.8122 16.9203 16.9203 19.6609 19.6609 k = 0.2364 0.4094-0.0000 ( 2090 PWs) bands (ev): 4.0142 4.0142 6.1494 6.1494 8.2656 8.2656 9.1081 9.1081 9.5066 9.5066 10.1169 10.1169 10.6648 10.6648 11.1580 11.1580 11.3809 11.3809 11.5331 11.5331 11.6858 11.6858 11.9146 11.9146 12.1898 12.1898 12.4961 12.4961 12.6108 12.6108 12.8528 12.8528 12.9536 12.9536 13.2193 13.2193 13.2360 13.2360 13.3998 13.3998 13.4401 13.4401 13.7128 13.7128 13.7436 13.7436 14.2835 14.2835 14.8061 14.8061 16.5754 16.5754 16.8736 16.8736 16.9614 16.9614 19.7041 19.7041 k = 0.2303 0.3989-0.0000 ( 2090 PWs) bands (ev): 3.9203 3.9203 6.1905 6.1905 8.3399 8.3399 9.1065 9.1065 9.4465 9.4465 10.1355 10.1355 10.6789 10.6789 11.1773 11.1773 11.3475 11.3475 11.5321 11.5321 11.6487 11.6487 11.9094 11.9094 12.1895 12.1895 12.5038 12.5038 12.6166 12.6166 12.8659 12.8659 12.9875 12.9875 13.2343 13.2343 13.2650 13.2650 13.4076 13.4076 13.4575 13.4575 13.7422 13.7422 13.7647 13.7647 14.2789 14.2789 14.7933 14.7933 16.6523 16.6523 16.9369 16.9369 17.0051 17.0051 19.7501 19.7501 k = 0.2242 0.3884-0.0000 ( 2100 PWs) bands (ev): 3.8274 3.8274 6.2294 6.2294 8.4156 8.4156 9.1079 9.1079 9.3868 9.3868 10.1489 10.1489 10.6929 10.6929 11.1929 11.1929 11.3133 11.3133 11.5319 11.5319 11.6134 11.6134 11.9017 11.9017 12.1947 12.1947 12.5113 12.5113 12.6245 12.6245 12.8796 12.8796 13.0197 13.0197 13.2484 13.2484 13.2959 13.2959 13.4020 13.4020 13.4927 13.4927 13.7642 13.7642 13.7956 13.7956 14.2739 14.2739 14.7831 14.7831 16.7293 16.7293 17.0002 17.0002 17.0527 17.0527 19.7992 19.7992 k = 0.2182 0.3779-0.0000 ( 2096 PWs) bands (ev): 3.7356 3.7356 6.2658 6.2658 8.4924 8.4924 9.1122 9.1122 9.3279 9.3279 10.1575 10.1575 10.7069 10.7069 11.2048 11.2048 11.2793 11.2793 11.5311 11.5311 11.5808 11.5808 11.8914 11.8914 12.2061 12.2061 12.5188 12.5188 12.6347 12.6347 12.8939 12.8939 13.0501 13.0501 13.2622 13.2622 13.3281 13.3281 13.3946 13.3946 13.5344 13.5344 13.7830 13.7830 13.8331 13.8331 14.2689 14.2689 14.7753 14.7753 16.8065 16.8065 17.0603 17.0603 17.1074 17.1074 19.8514 19.8514 k = 0.2121 0.3674-0.0000 ( 2094 PWs) bands (ev): 3.6451 3.6451 6.2997 6.2997 8.5702 8.5702 9.1193 9.1193 9.2696 9.2696 10.1613 10.1613 10.7207 10.7207 11.2115 11.2115 11.2472 11.2472 11.5247 11.5247 11.5559 11.5559 11.8780 11.8780 12.2238 12.2238 12.5261 12.5261 12.6467 12.6467 12.9086 12.9086 13.0785 13.0785 13.2755 13.2755 13.3603 13.3603 13.3889 13.3889 13.5804 13.5804 13.8015 13.8015 13.8743 13.8743 14.2637 14.2637 14.7696 14.7696 16.8836 16.8836 17.1149 17.1149 17.1711 17.1711 19.9064 19.9064 k = 0.2061 0.3569-0.0000 ( 2102 PWs) bands (ev): 3.5561 3.5561 6.3309 6.3309 8.6487 8.6487 9.1292 9.1292 9.2123 9.2123 10.1606 10.1606 10.7342 10.7342 11.2015 11.2015 11.2292 11.2292 11.5032 11.5032 11.5473 11.5473 11.8619 11.8619 12.2471 12.2471 12.5330 12.5330 12.6602 12.6602 12.9237 12.9237 13.1046 13.1046 13.2882 13.2882 13.3765 13.3765 13.4003 13.4003 13.6299 13.6299 13.8213 13.8213 13.9191 13.9191 14.2585 14.2585 14.7660 14.7660 16.9604 16.9604 17.1663 17.1663 17.2409 17.2409 19.9318 19.9318 k = 0.2000 0.3464-0.0000 ( 2106 PWs) bands (ev): 3.4687 3.4687 6.3592 6.3592 8.7277 8.7277 9.1406 9.1406 9.1569 9.1569 10.1558 10.1558 10.7475 10.7475 11.1724 11.1724 11.2283 11.2283 11.4752 11.4752 11.5468 11.5468 11.8433 11.8433 12.2754 12.2754 12.5400 12.5400 12.6749 12.6749 12.9392 12.9392 13.1287 13.1287 13.3004 13.3004 13.3737 13.3737 13.4318 13.4318 13.6824 13.6824 13.8431 13.8431 13.9676 13.9676 14.2537 14.2537 14.7643 14.7643 17.0367 17.0367 17.2172 17.2172 17.3139 17.3139 19.8531 19.8531 k = 0.1939 0.3359-0.0000 ( 2106 PWs) bands (ev): 3.3830 3.3830 6.3848 6.3848 8.8069 8.8069 9.0993 9.0993 9.1578 9.1578 10.1472 10.1472 10.7606 10.7606 11.1415 11.1415 11.2281 11.2281 11.4468 11.4468 11.5479 11.5479 11.8229 11.8229 12.3079 12.3079 12.5470 12.5470 12.6902 12.6902 12.9551 12.9551 13.1510 13.1510 13.3121 13.3121 13.3709 13.3709 13.4639 13.4639 13.7363 13.7363 13.8685 13.8685 14.0204 14.0204 14.2493 14.2493 14.7642 14.7642 17.1125 17.1125 17.2687 17.2687 17.3884 17.3884 19.7757 19.7757 k = 0.1879 0.3254-0.0000 ( 2092 PWs) bands (ev): 3.2993 3.2993 6.4075 6.4075 8.8863 8.8863 9.0449 9.0449 9.1753 9.1753 10.1353 10.1353 10.7734 10.7734 11.1119 11.1119 11.2260 11.2260 11.4194 11.4194 11.5493 11.5493 11.8009 11.8009 12.3436 12.3436 12.5544 12.5544 12.7058 12.7058 12.9714 12.9714 13.1718 13.1718 13.3235 13.3235 13.3695 13.3695 13.4946 13.4946 13.7883 13.7883 13.9012 13.9012 14.0774 14.0774 14.2459 14.2459 14.7658 14.7658 17.1874 17.1874 17.3215 17.3215 17.4633 17.4633 19.7008 19.7008 k = 0.1818 0.3149-0.0000 ( 2096 PWs) bands (ev): 3.2174 3.2174 6.4274 6.4274 8.9654 8.9654 8.9914 8.9914 9.1949 9.1949 10.1206 10.1206 10.7858 10.7858 11.0838 11.0838 11.2220 11.2220 11.3928 11.3928 11.5505 11.5505 11.7777 11.7777 12.3817 12.3817 12.5618 12.5618 12.7207 12.7207 12.9880 12.9880 13.1911 13.1911 13.3341 13.3341 13.3696 13.3696 13.5229 13.5229 13.8327 13.8327 13.9465 13.9465 14.1377 14.1377 14.2441 14.2441 14.7686 14.7686 17.2611 17.2611 17.3758 17.3758 17.5379 17.5379 19.6287 19.6287 k = 0.1758 0.3044-0.0000 ( 2092 PWs) bands (ev): 3.1376 3.1376 6.4446 6.4446 8.9389 8.9389 9.0444 9.0444 9.2165 9.2165 10.1036 10.1036 10.7980 10.7980 11.0580 11.0580 11.2164 11.2164 11.3675 11.3675 11.5514 11.5514 11.7534 11.7534 12.4213 12.4213 12.5696 12.5696 12.7348 12.7348 13.0050 13.0050 13.2094 13.2094 13.3442 13.3442 13.3713 13.3713 13.5488 13.5488 13.8673 13.8673 14.0070 14.0070 14.1950 14.1950 14.2510 14.2510 14.7729 14.7729 17.3336 17.3336 17.4317 17.4317 17.6114 17.6114 19.5595 19.5595 k = 0.1697 0.2939-0.0000 ( 2095 PWs) bands (ev): 3.0600 3.0600 6.4590 6.4590 8.8876 8.8876 9.1227 9.1227 9.2395 9.2395 10.0845 10.0845 10.8098 10.8098 11.0344 11.0344 11.2091 11.2091 11.3436 11.3436 11.5519 11.5519 11.7284 11.7284 12.4617 12.4617 12.5778 12.5778 12.7477 12.7477 13.0223 13.0223 13.2267 13.2267 13.3538 13.3538 13.3745 13.3745 13.5720 13.5720 13.8948 13.8948 14.0796 14.0796 14.2199 14.2199 14.2956 14.2956 14.7782 14.7782 17.4044 17.4044 17.4892 17.4892 17.6829 17.6829 19.4937 19.4937 k = 0.1636 0.2834-0.0000 ( 2099 PWs) bands (ev): 2.9845 2.9845 6.4709 6.4709 8.8376 8.8376 9.2003 9.2003 9.2638 9.2638 10.0640 10.0640 10.8212 10.8212 11.0133 11.0133 11.2005 11.2005 11.3212 11.3212 11.5521 11.5521 11.7027 11.7027 12.5020 12.5020 12.5867 12.5867 12.7594 12.7594 13.0401 13.0401 13.2431 13.2431 13.3629 13.3629 13.3791 13.3791 13.5926 13.5926 13.9187 13.9187 14.1609 14.1609 14.2228 14.2228 14.3678 14.3678 14.7846 14.7846 17.4734 17.4734 17.5485 17.5485 17.7518 17.7518 19.4315 19.4315 k = 0.1576 0.2729-0.0000 ( 2099 PWs) bands (ev): 2.9113 2.9113 6.4804 6.4804 8.7888 8.7888 9.2766 9.2766 9.2891 9.2891 10.0423 10.0423 10.8322 10.8322 10.9946 10.9946 11.1909 11.1909 11.3006 11.3006 11.5518 11.5518 11.6767 11.6767 12.5411 12.5411 12.5966 12.5966 12.7698 12.7698 13.0583 13.0583 13.2588 13.2588 13.3716 13.3716 13.3849 13.3849 13.6107 13.6107 13.9409 13.9409 14.2213 14.2213 14.2505 14.2505 14.4483 14.4483 14.7919 14.7919 17.5402 17.5402 17.6095 17.6095 17.8171 17.8171 19.3733 19.3733 k = 0.1515 0.2624-0.0000 ( 2091 PWs) bands (ev): 2.8405 2.8405 6.4876 6.4876 8.7415 8.7415 9.3139 9.3139 9.3529 9.3529 10.0200 10.0200 10.8429 10.8429 10.9784 10.9784 11.1804 11.1804 11.2821 11.2821 11.5510 11.5510 11.6506 11.6506 12.5769 12.5769 12.6095 12.6095 12.7790 12.7790 13.0770 13.0770 13.2741 13.2741 13.3798 13.3798 13.3918 13.3918 13.6264 13.6264 13.9622 13.9622 14.2213 14.2213 14.3442 14.3442 14.5341 14.5341 14.8002 14.8002 17.6047 17.6047 17.6722 17.6722 17.8777 17.8777 19.3197 19.3197 k = 0.1455 0.2519-0.0000 ( 2095 PWs) bands (ev): 2.7721 2.7721 6.4926 6.4926 8.6955 8.6955 9.3393 9.3393 9.4269 9.4269 9.9972 9.9972 10.8530 10.8530 10.9644 10.9644 11.1692 11.1692 11.2658 11.2658 11.5491 11.5491 11.6246 11.6246 12.6020 12.6020 12.6319 12.6319 12.7870 12.7870 13.0962 13.0962 13.2887 13.2887 13.3873 13.3873 13.3995 13.3995 13.6399 13.6399 13.9828 13.9828 14.2211 14.2211 14.4438 14.4438 14.6243 14.6243 14.8094 14.8094 17.6667 17.6667 17.7365 17.7365 17.9328 17.9328 19.2712 19.2712 k = 0.1394 0.2414-0.0000 ( 2095 PWs) bands (ev): 2.7061 2.7061 6.4958 6.4958 8.6511 8.6511 9.3643 9.3643 9.4993 9.4993 9.9748 9.9748 10.8628 10.8628 10.9524 10.9524 11.1574 11.1574 11.2520 11.2520 11.5454 11.5454 11.6002 11.6002 12.6163 12.6163 12.6637 12.6637 12.7938 12.7938 13.1159 13.1159 13.3028 13.3028 13.3942 13.3942 13.4076 13.4076 13.6513 13.6513 14.0029 14.0029 14.2215 14.2215 14.5487 14.5487 14.7183 14.7183 14.8197 14.8197 17.7259 17.7259 17.8021 17.8021 17.9811 17.9811 19.2283 19.2283 k = 0.1333 0.2309-0.0000 ( 2107 PWs) bands (ev): 2.6427 2.6427 6.4972 6.4972 8.6081 8.6081 9.3886 9.3886 9.5693 9.5693 9.9532 9.9532 10.8720 10.8720 10.9419 10.9419 11.1451 11.1451 11.2413 11.2413 11.5370 11.5370 11.5798 11.5798 12.6274 12.6274 12.6966 12.6966 12.7997 12.7997 13.1358 13.1358 13.3164 13.3164 13.4006 13.4006 13.4158 13.4158 13.6608 13.6608 14.0227 14.0227 14.2222 14.2222 14.6583 14.6583 14.8091 14.8091 14.8376 14.8376 17.7822 17.7822 17.8690 17.8690 18.0218 18.0218 19.1916 19.1916 k = 0.1273 0.2204-0.0000 ( 2107 PWs) bands (ev): 2.5818 2.5818 6.4971 6.4971 8.5667 8.5667 9.4118 9.4118 9.6359 9.6359 9.9338 9.9338 10.8807 10.8807 10.9328 10.9328 11.1327 11.1327 11.2341 11.2341 11.5201 11.5201 11.5675 11.5675 12.6380 12.6380 12.7282 12.7282 12.8050 12.8050 13.1563 13.1563 13.3298 13.3298 13.4064 13.4064 13.4241 13.4241 13.6686 13.6686 14.0420 14.0420 14.2237 14.2237 14.7724 14.7724 14.8364 14.8364 14.9237 14.9237 17.8354 17.8354 17.9367 17.9367 18.0542 18.0542 19.1616 19.1616 k = 0.1212 0.2099-0.0000 ( 2111 PWs) bands (ev): 2.5235 2.5235 6.4956 6.4956 8.5270 8.5270 9.4338 9.4338 9.6966 9.6966 9.9191 9.9191 10.8889 10.8889 10.9246 10.9246 11.1201 11.1201 11.2306 11.2306 11.4964 11.4964 11.5617 11.5617 12.6482 12.6482 12.7575 12.7575 12.8099 12.8099 13.1771 13.1771 13.3429 13.3429 13.4119 13.4119 13.4321 13.4321 13.6746 13.6746 14.0609 14.0609 14.2258 14.2258 14.8475 14.8475 14.8918 14.8918 15.0291 15.0291 17.8853 17.8853 18.0047 18.0047 18.0781 18.0781 19.1385 19.1385 k = 0.1152 0.1994-0.0000 ( 2111 PWs) bands (ev): 2.4678 2.4678 6.4930 6.4930 8.4889 8.4889 9.4543 9.4543 9.7455 9.7455 9.9150 9.9150 10.8963 10.8963 10.9170 10.9170 11.1077 11.1077 11.2314 11.2314 11.4696 11.4696 11.5586 11.5586 12.6583 12.6583 12.7837 12.7837 12.8153 12.8153 13.1982 13.1982 13.3557 13.3557 13.4169 13.4169 13.4396 13.4396 13.6792 13.6792 14.0793 14.0793 14.2284 14.2284 14.8593 14.8593 15.0141 15.0141 15.1390 15.1390 17.9317 17.9317 18.0678 18.0678 18.0985 18.0985 19.1220 19.1220 k = 0.1091 0.1890-0.0000 ( 2107 PWs) bands (ev): 2.4148 2.4148 6.4893 6.4893 8.4525 8.4525 9.4732 9.4732 9.7726 9.7726 9.9318 9.9318 10.9010 10.9010 10.9117 10.9117 11.0954 11.0954 11.2363 11.2363 11.4415 11.4415 11.5566 11.5566 12.6682 12.6682 12.8037 12.8037 12.8244 12.8244 13.2195 13.2195 13.3685 13.3685 13.4217 13.4217 13.4467 13.4467 13.6822 13.6822 14.0973 14.0973 14.2315 14.2315 14.8709 14.8709 15.1404 15.1404 15.2527 15.2527 17.9745 17.9745 18.0899 18.0899 18.1513 18.1513 19.1117 19.1117 k = 0.1030 0.1785-0.0000 ( 2111 PWs) bands (ev): 2.3645 2.3645 6.4849 6.4849 8.4178 8.4178 9.4903 9.4903 9.7760 9.7760 9.9714 9.9714 10.8969 10.8969 10.9140 10.9140 11.0832 11.0832 11.2454 11.2454 11.4125 11.4125 11.5550 11.5550 12.6777 12.6777 12.8133 12.8133 12.8413 12.8413 13.2406 13.2406 13.3810 13.3810 13.4259 13.4259 13.4531 13.4531 13.6840 13.6840 14.1146 14.1146 14.2351 14.2351 14.8825 14.8825 15.2703 15.2703 15.3702 15.3702 18.0137 18.0137 18.0883 18.0883 18.2196 18.2196 19.1066 19.1066 k = 0.0970 0.1680-0.0000 ( 2111 PWs) bands (ev): 2.3169 2.3169 6.4799 6.4799 8.3850 8.3850 9.5058 9.5058 9.7663 9.7663 10.0232 10.0232 10.8889 10.8889 10.9198 10.9198 11.0714 11.0714 11.2584 11.2584 11.3830 11.3830 11.5537 11.5537 12.6870 12.6870 12.8182 12.8182 12.8606 12.8606 13.2614 13.2614 13.3934 13.3934 13.4298 13.4298 13.4589 13.4589 13.6844 13.6844 14.1313 14.1313 14.2391 14.2391 14.8940 14.8940 15.4032 15.4032 15.4916 15.4916 18.0492 18.0492 18.0786 18.0786 18.2887 18.2887 19.1055 19.1055 k = 0.0909 0.1575-0.0000 ( 2111 PWs) bands (ev): 2.2721 2.2721 6.4744 6.4744 8.3539 8.3539 9.5195 9.5195 9.7516 9.7516 10.0793 10.0793 10.8798 10.8798 10.9257 10.9257 11.0600 11.0600 11.2750 11.2750 11.3531 11.3531 11.5525 11.5525 12.6958 12.6958 12.8219 12.8219 12.8790 12.8790 13.2816 13.2816 13.4056 13.4056 13.4334 13.4334 13.4641 13.4641 13.6837 13.6837 14.1473 14.1473 14.2433 14.2433 14.9053 14.9053 15.5389 15.5389 15.6169 15.6169 18.0618 18.0618 18.0820 18.0820 18.3569 18.3569 19.1069 19.1069 k = 0.0848 0.1470-0.0000 ( 2115 PWs) bands (ev): 2.2301 2.2301 6.4685 6.4685 8.3247 8.3247 9.5315 9.5315 9.7351 9.7351 10.1364 10.1364 10.8704 10.8704 10.9312 10.9312 11.0490 11.0490 11.2937 11.2937 11.3234 11.3234 11.5514 11.5514 12.7041 12.7041 12.8252 12.8252 12.8959 12.8959 13.3011 13.3011 13.4173 13.4173 13.4371 13.4371 13.4688 13.4688 13.6819 13.6819 14.1625 14.1625 14.2478 14.2478 14.9165 14.9165 15.6769 15.6769 15.7462 15.7462 18.0416 18.0416 18.1102 18.1102 18.4229 18.4229 19.1096 19.1096 k = 0.0788 0.1365-0.0000 ( 2115 PWs) bands (ev): 2.1908 2.1908 6.4625 6.4625 8.2974 8.2974 9.5420 9.5420 9.7185 9.7185 10.1932 10.1932 10.8607 10.8607 10.9364 10.9364 11.0385 11.0385 11.2903 11.2903 11.3180 11.3180 11.5505 11.5505 12.7118 12.7118 12.8285 12.8285 12.9110 12.9110 13.3197 13.3197 13.4277 13.4277 13.4419 13.4419 13.4729 13.4729 13.6790 13.6790 14.1768 14.1768 14.2524 14.2524 14.9273 14.9273 15.8168 15.8168 15.8799 15.8799 18.0181 18.0181 18.1354 18.1354 18.4855 18.4855 19.1120 19.1120 k = 0.0727 0.1260-0.0000 ( 2115 PWs) bands (ev): 2.1544 2.1544 6.4564 6.4564 8.2720 8.2720 9.5509 9.5509 9.7023 9.7023 10.2491 10.2491 10.8511 10.8511 10.9412 10.9412 11.0286 11.0286 11.2600 11.2600 11.3408 11.3408 11.5496 11.5496 12.7190 12.7190 12.8319 12.8319 12.9246 12.9246 13.3372 13.3372 13.4345 13.4345 13.4497 13.4497 13.4767 13.4767 13.6752 13.6752 14.1902 14.1902 14.2571 14.2571 14.9377 14.9377 15.9581 15.9581 16.0179 16.0179 17.9926 17.9926 18.1575 18.1575 18.5425 18.5425 19.1125 19.1125 k = 0.0667 0.1155-0.0000 ( 2119 PWs) bands (ev): 2.1209 2.1209 6.4504 6.4504 8.2486 8.2486 9.5585 9.5585 9.6868 9.6868 10.3037 10.3037 10.8417 10.8417 10.9456 10.9456 11.0193 11.0193 11.2286 11.2286 11.3652 11.3652 11.5487 11.5487 12.7253 12.7253 12.8352 12.8352 12.9367 12.9367 13.3534 13.3534 13.4380 13.4380 13.4603 13.4603 13.4801 13.4801 13.6706 13.6706 14.2025 14.2025 14.2619 14.2619 14.9476 14.9476 16.1008 16.1008 16.1601 16.1601 17.9661 17.9661 18.1766 18.1766 18.5909 18.5909 19.1092 19.1092 k = 0.0606 0.1050-0.0000 ( 2123 PWs) bands (ev): 2.0902 2.0902 6.4446 6.4446 8.2270 8.2270 9.5647 9.5647 9.6725 9.6725 10.3570 10.3570 10.8327 10.8327 10.9495 10.9495 11.0106 11.0106 11.1967 11.1967 11.3900 11.3900 11.5479 11.5479 12.7310 12.7310 12.8387 12.8387 12.9473 12.9473 13.3683 13.3683 13.4400 13.4400 13.4718 13.4718 13.4832 13.4832 13.6652 13.6652 14.2136 14.2136 14.2668 14.2668 14.9568 14.9568 16.2449 16.2449 16.3061 16.3061 17.9396 17.9396 18.1929 18.1929 18.6259 18.6259 19.0995 19.0995 k = 0.0545 0.0945-0.0000 ( 2131 PWs) bands (ev): 2.0624 2.0624 6.4390 6.4390 8.2075 8.2075 9.5697 9.5697 9.6595 9.6595 10.4087 10.4087 10.8242 10.8242 10.9530 10.9530 11.0026 11.0026 11.1644 11.1644 11.4144 11.4144 11.5472 11.5472 12.7359 12.7359 12.8420 12.8420 12.9567 12.9567 13.3819 13.3819 13.4413 13.4413 13.4828 13.4828 13.4867 13.4867 13.6591 13.6591 14.2236 14.2236 14.2717 14.2717 14.9654 14.9654 16.3907 16.3907 16.4551 16.4551 17.9137 17.9137 18.2068 18.2068 18.6407 18.6407 19.0824 19.0824 k = 0.0485 0.0840-0.0000 ( 2125 PWs) bands (ev): 2.0375 2.0375 6.4338 6.4338 8.1900 8.1900 9.5735 9.5735 9.6480 9.6480 10.4589 10.4589 10.8165 10.8165 10.9560 10.9560 10.9952 10.9952 11.1319 11.1319 11.4382 11.4382 11.5467 11.5467 12.7404 12.7404 12.8456 12.8456 12.9649 12.9649 13.3943 13.3943 13.4423 13.4423 13.4883 13.4883 13.4956 13.4956 13.6526 13.6526 14.2323 14.2323 14.2765 14.2765 14.9734 14.9734 16.5387 16.5387 16.6065 16.6065 17.8892 17.8892 18.2184 18.2184 18.6289 18.6289 19.0503 19.0503 k = 0.0424 0.0735-0.0000 ( 2131 PWs) bands (ev): 2.0155 2.0155 6.4290 6.4290 8.1745 8.1745 9.5762 9.5762 9.6380 9.6380 10.5075 10.5075 10.8096 10.8096 10.9584 10.9584 10.9883 10.9883 11.0993 11.0993 11.4603 11.4603 11.5463 11.5463 12.7441 12.7441 12.8489 12.8489 12.9718 12.9718 13.4052 13.4052 13.4429 13.4429 13.4911 13.4911 13.5062 13.5062 13.6457 13.6457 14.2398 14.2398 14.2812 14.2812 14.9804 14.9804 16.6889 16.6889 16.7594 16.7594 17.8665 17.8665 18.2280 18.2280 18.5881 18.5881 18.9708 18.9708 k = 0.0364 0.0630-0.0000 ( 2137 PWs) bands (ev): 1.9964 1.9964 6.4247 6.4247 8.1610 8.1610 9.5778 9.5778 9.6298 9.6298 10.5544 10.5544 10.8036 10.8036 10.9601 10.9601 10.9816 10.9816 11.0669 11.0669 11.4803 11.4803 11.5462 11.5462 12.7472 12.7472 12.8519 12.8519 12.9778 12.9778 13.4147 13.4147 13.4431 13.4431 13.4936 13.4936 13.5160 13.5160 13.6387 13.6387 14.2459 14.2459 14.2856 14.2856 14.9867 14.9867 16.8416 16.8416 16.9133 16.9133 17.8460 17.8460 18.2359 18.2359 18.5215 18.5215 18.8408 18.8408 k = 0.0303 0.0525-0.0000 ( 2133 PWs) bands (ev): 1.9802 1.9802 6.4210 6.4210 8.1496 8.1496 9.5784 9.5784 9.6235 9.6235 10.5994 10.5994 10.7990 10.7990 10.9609 10.9609 10.9744 10.9744 11.0362 11.0362 11.4979 11.4979 11.5464 11.5464 12.7498 12.7498 12.8548 12.8548 12.9827 12.9827 13.4228 13.4228 13.4434 13.4434 13.4961 13.4961 13.5251 13.5251 13.6317 13.6317 14.2510 14.2510 14.2897 14.2897 14.9922 14.9922 16.9967 16.9967 17.0675 17.0675 17.8281 17.8281 18.2420 18.2420 18.4349 18.4349 18.6845 18.6845 k = 0.0242 0.0420-0.0000 ( 2133 PWs) bands (ev): 1.9669 1.9669 6.4179 6.4179 8.1402 8.1402 9.5781 9.5781 9.6189 9.6189 10.6419 10.6419 10.7960 10.7960 10.9570 10.9570 10.9671 10.9671 11.0103 11.0103 11.5122 11.5122 11.5471 11.5471 12.7519 12.7519 12.8573 12.8573 12.9867 12.9867 13.4296 13.4296 13.4435 13.4435 13.4986 13.4986 13.5330 13.5330 13.6250 13.6250 14.2550 14.2550 14.2932 14.2932 14.9966 14.9966 17.1541 17.1541 17.2209 17.2209 17.8131 17.8131 18.2467 18.2467 18.3330 18.3330 18.5179 18.5179 k = 0.0182 0.0315-0.0000 ( 2133 PWs) bands (ev): 1.9566 1.9566 6.4155 6.4155 8.1329 8.1329 9.5773 9.5773 9.6159 9.6159 10.6811 10.6811 10.7956 10.7956 10.9381 10.9381 10.9650 10.9650 10.9945 10.9945 11.5228 11.5228 11.5486 11.5486 12.7535 12.7535 12.8593 12.8593 12.9897 12.9897 13.4348 13.4348 13.4436 13.4436 13.5007 13.5007 13.5396 13.5396 13.6189 13.6189 14.2580 14.2580 14.2961 14.2961 15.0001 15.0001 17.3134 17.3134 17.3727 17.3727 17.8013 17.8013 18.2176 18.2176 18.2514 18.2514 18.3488 18.3488 k = 0.0121 0.0210-0.0000 ( 2125 PWs) bands (ev): 1.9492 1.9492 6.4137 6.4137 8.1277 8.1277 9.5764 9.5764 9.6141 9.6141 10.7140 10.7140 10.8000 10.8000 10.9096 10.9096 10.9645 10.9645 10.9876 10.9876 11.5293 11.5293 11.5509 11.5509 12.7547 12.7547 12.8609 12.8609 12.9919 12.9919 13.4386 13.4386 13.4437 13.4437 13.5026 13.5026 13.5447 13.5447 13.6140 13.6140 14.2601 14.2601 14.2983 14.2983 15.0027 15.0027 17.4735 17.4735 17.5210 17.5210 17.7931 17.7931 18.0942 18.0942 18.1815 18.1815 18.2534 18.2534 k = 0.0061 0.0105-0.0000 ( 2125 PWs) bands (ev): 1.9448 1.9448 6.4126 6.4126 8.1246 8.1246 9.5757 9.5757 9.6132 9.6132 10.7354 10.7354 10.8126 10.8126 10.8795 10.8795 10.9642 10.9642 10.9849 10.9849 11.5325 11.5325 11.5531 11.5531 12.7553 12.7553 12.8618 12.8618 12.9932 12.9932 13.4408 13.4408 13.4437 13.4437 13.5037 13.5037 13.5481 13.5481 13.6107 13.6107 14.2614 14.2614 14.2996 14.2996 15.0042 15.0042 17.6300 17.6300 17.6599 17.6599 17.7901 17.7901 17.9628 17.9628 18.0253 18.0253 18.2547 18.2547 k = 0.0000 0.0000 0.0000 ( 2125 PWs) bands (ev): 1.9434 1.9434 6.4123 6.4123 8.1235 8.1235 9.5754 9.5754 9.6129 9.6129 10.7423 10.7423 10.8256 10.8256 10.8607 10.8607 10.9641 10.9641 10.9842 10.9842 11.5334 11.5334 11.5540 11.5540 12.7555 12.7555 12.8621 12.8621 12.9936 12.9936 13.4416 13.4416 13.4437 13.4437 13.5041 13.5041 13.5492 13.5492 13.6095 13.6095 14.2618 14.2618 14.3001 14.3001 15.0047 15.0047 17.7349 17.7349 17.7407 17.7407 17.8062 17.8062 17.8556 17.8556 17.9321 17.9321 18.2552 18.2552 k = 0.0000 0.0000 0.0000 ( 2125 PWs) bands (ev): 1.9434 1.9434 6.4123 6.4123 8.1235 8.1235 9.5754 9.5754 9.6129 9.6129 10.7423 10.7423 10.8256 10.8256 10.8607 10.8607 10.9641 10.9641 10.9842 10.9842 11.5334 11.5334 11.5540 11.5540 12.7555 12.7555 12.8621 12.8621 12.9936 12.9936 13.4416 13.4416 13.4437 13.4437 13.5041 13.5041 13.5492 13.5492 13.6095 13.6095 14.2618 14.2618 14.3001 14.3001 15.0047 15.0047 17.7349 17.7349 17.7407 17.7407 17.8062 17.8062 17.8556 17.8556 17.9321 17.9321 18.2552 18.2552 k = 0.0000 0.0000 0.0121 ( 2125 PWs) bands (ev): 1.9448 1.9448 6.4024 6.4024 8.1324 8.1324 9.5757 9.5757 9.6132 9.6132 10.7379 10.7379 10.8184 10.8184 10.8625 10.8625 10.9682 10.9682 10.9895 10.9895 11.5333 11.5333 11.5539 11.5539 12.7566 12.7566 12.8630 12.8630 12.9931 12.9931 13.4416 13.4416 13.4437 13.4437 13.5040 13.5040 13.5490 13.5490 13.6105 13.6105 14.2610 14.2610 14.2992 14.2992 15.0066 15.0066 17.7364 17.7364 17.7423 17.7423 17.8062 17.8062 17.8560 17.8560 17.9325 17.9325 18.2524 18.2524 k = 0.0000 0.0000 0.0242 ( 2125 PWs) bands (ev): 1.9493 1.9493 6.3737 6.3737 8.1586 8.1586 9.5767 9.5767 9.6142 9.6142 10.7255 10.7255 10.8006 10.8006 10.8657 10.8657 10.9795 10.9795 11.0037 11.0037 11.5331 11.5331 11.5536 11.5536 12.7599 12.7599 12.8658 12.8658 12.9915 12.9915 13.4417 13.4417 13.4438 13.4438 13.5038 13.5038 13.5485 13.5485 13.6135 13.6135 14.2588 14.2588 14.2967 14.2967 15.0123 15.0123 17.7410 17.7410 17.7472 17.7472 17.8062 17.8062 17.8572 17.8572 17.9335 17.9335 18.2440 18.2440 k = 0.0000 0.0000 0.0363 ( 2125 PWs) bands (ev): 1.9567 1.9567 6.3276 6.3276 8.2002 8.2002 9.5783 9.5783 9.6158 9.6158 10.7071 10.7071 10.7771 10.7771 10.8687 10.8687 10.9962 10.9962 11.0235 11.0235 11.5327 11.5327 11.5530 11.5530 12.7652 12.7652 12.8704 12.8704 12.9890 12.9890 13.4418 13.4418 13.4439 13.4439 13.5033 13.5033 13.5477 13.5477 13.6182 13.6182 14.2550 14.2550 14.2924 14.2924 15.0220 15.0220 17.7486 17.7486 17.7553 17.7553 17.8063 17.8063 17.8592 17.8592 17.9351 17.9351 18.2302 18.2302 k = 0.0000 0.0000 0.0485 ( 2125 PWs) bands (ev): 1.9670 1.9670 6.2668 6.2668 8.2551 8.2551 9.5807 9.5807 9.6182 9.6182 10.6845 10.6845 10.7505 10.7505 10.8715 10.8715 11.0163 11.0163 11.0463 11.0463 11.5322 11.5322 11.5522 11.5522 12.7725 12.7725 12.8766 12.8766 12.9858 12.9858 13.4418 13.4418 13.4437 13.4437 13.5024 13.5024 13.5467 13.5467 13.6244 13.6244 14.2497 14.2497 14.2865 14.2865 15.0363 15.0363 17.7592 17.7592 17.7667 17.7667 17.8064 17.8064 17.8620 17.8620 17.9374 17.9374 18.2115 18.2115 k = 0.0000 0.0000 0.0606 ( 2125 PWs) bands (ev): 1.9803 1.9803 6.1936 6.1936 8.3205 8.3205 9.5836 9.5836 9.6211 9.6211 10.6592 10.6592 10.7220 10.7220 10.8743 10.8743 11.0385 11.0385 11.0706 11.0706 11.5316 11.5316 11.5512 11.5512 12.7821 12.7821 12.8848 12.8848 12.9814 12.9814 13.4420 13.4420 13.4439 13.4439 13.5016 13.5016 13.5456 13.5456 13.6313 13.6313 14.2429 14.2429 14.2789 14.2789 15.0549 15.0549 17.7729 17.7729 17.7813 17.7813 17.8067 17.8067 17.8656 17.8656 17.9404 17.9404 18.1881 18.1881 k = 0.0000 0.0000 0.0727 ( 2137 PWs) bands (ev): 1.9965 1.9965 6.1104 6.1104 8.3941 8.3941 9.5870 9.5870 9.6246 9.6246 10.6319 10.6319 10.6922 10.6922 10.8770 10.8770 11.0617 11.0617 11.0955 11.0955 11.5308 11.5308 11.5500 11.5500 12.7935 12.7935 12.8946 12.8946 12.9763 12.9763 13.4421 13.4421 13.4440 13.4440 13.5005 13.5005 13.5443 13.5443 13.6386 13.6386 14.2346 14.2346 14.2696 14.2696 15.0786 15.0786 17.7896 17.7896 17.7991 17.7991 17.8072 17.8072 17.8700 17.8700 17.9440 17.9440 18.1606 18.1606 k = 0.0000 0.0000 0.0848 ( 2137 PWs) bands (ev): 2.0157 2.0157 6.0194 6.0194 8.4738 8.4738 9.5912 9.5912 9.6289 9.6289 10.6035 10.6035 10.6618 10.6618 10.8799 10.8799 11.0855 11.0855 11.1205 11.1205 11.5300 11.5300 11.5486 11.5486 12.8071 12.8071 12.9063 12.9063 12.9704 12.9704 13.4424 13.4424 13.4443 13.4443 13.4994 13.4994 13.5428 13.5428 13.6458 13.6458 14.2249 14.2249 14.2587 14.2587 15.1078 15.1078 17.8080 17.8080 17.8094 17.8094 17.8200 17.8200 17.8754 17.8754 17.9484 17.9484 18.1295 18.1295 k = 0.0000 0.0000 0.0969 ( 2137 PWs) bands (ev): 2.0378 2.0378 5.9223 5.9223 8.5581 8.5581 9.5961 9.5961 9.6338 9.6338 10.5744 10.5744 10.6309 10.6309 10.8827 10.8827 11.1094 11.1094 11.1452 11.1452 11.5291 11.5291 11.5472 11.5472 12.8226 12.8226 12.9197 12.9197 12.9640 12.9640 13.4427 13.4427 13.4448 13.4448 13.4982 13.4982 13.5412 13.5412 13.6523 13.6523 14.2137 14.2137 14.2462 14.2462 15.1431 15.1431 17.8092 17.8092 17.8321 17.8321 17.8439 17.8439 17.8819 17.8819 17.9534 17.9534 18.0955 18.0955 k = 0.0000 0.0000 0.1090 ( 2126 PWs) bands (ev): 2.0628 2.0628 5.8206 5.8206 8.6454 8.6454 9.6018 9.6018 9.6396 9.6396 10.5447 10.5447 10.5997 10.5997 10.8851 10.8851 11.1333 11.1333 11.1697 11.1697 11.5283 11.5283 11.5459 11.5459 12.8400 12.8400 12.9348 12.9348 12.9570 12.9570 13.4431 13.4431 13.4453 13.4453 13.4968 13.4968 13.5396 13.5396 13.6576 13.6576 14.2013 14.2013 14.2322 14.2322 15.1850 15.1850 17.8109 17.8109 17.8579 17.8579 17.8696 17.8696 17.8906 17.8906 17.9592 17.9592 18.0589 18.0589 k = 0.0000 0.0000 0.1211 ( 2126 PWs) bands (ev): 2.0908 2.0908 5.7152 5.7152 8.7347 8.7347 9.6080 9.6080 9.6459 9.6459 10.5146 10.5146 10.5684 10.5684 10.8874 10.8874 11.1567 11.1567 11.1934 11.1934 11.5273 11.5273 11.5442 11.5442 12.8591 12.8591 12.9498 12.9498 12.9512 12.9512 13.4435 13.4435 13.4459 13.4459 13.4954 13.4954 13.5376 13.5376 13.6610 13.6610 14.1874 14.1874 14.2166 14.2166 15.2339 15.2339 17.8132 17.8132 17.8867 17.8867 17.8901 17.8901 17.9086 17.9086 17.9656 17.9656 18.0205 18.0205 k = 0.0000 0.0000 0.1332 ( 2126 PWs) bands (ev): 2.1216 2.1216 5.6073 5.6073 8.8251 8.8251 9.6149 9.6149 9.6528 9.6528 10.4844 10.4844 10.5370 10.5370 10.8893 10.8893 11.1797 11.1797 11.2164 11.2164 11.5261 11.5261 11.5425 11.5425 12.8798 12.8798 12.9425 12.9425 12.9692 12.9692 13.4439 13.4439 13.4467 13.4467 13.4939 13.4939 13.5354 13.5354 13.6622 13.6622 14.1721 14.1721 14.1994 14.1994 15.2902 15.2902 17.8165 17.8165 17.9013 17.9013 17.9184 17.9184 17.9399 17.9399 17.9728 17.9728 17.9806 17.9806 k = 0.0000 0.0000 0.1454 ( 2126 PWs) bands (ev): 2.1554 2.1554 5.4974 5.4974 8.9160 8.9160 9.6224 9.6224 9.6604 9.6604 10.4540 10.4540 10.5056 10.5056 10.8905 10.8905 11.2020 11.2020 11.2387 11.2387 11.5249 11.5249 11.5407 11.5407 12.9021 12.9021 12.9353 12.9353 12.9885 12.9885 13.4443 13.4443 13.4476 13.4476 13.4924 13.4924 13.5328 13.5328 13.6609 13.6609 14.1555 14.1555 14.1808 14.1808 15.3539 15.3539 17.8208 17.8208 17.9114 17.9114 17.9397 17.9397 17.9530 17.9530 17.9763 17.9763 17.9807 17.9807 k = 0.0000 0.0000 0.1575 ( 2126 PWs) bands (ev): 2.1920 2.1920 5.3862 5.3862 9.0067 9.0067 9.6306 9.6306 9.6688 9.6688 10.4237 10.4237 10.4743 10.4743 10.8907 10.8907 11.2238 11.2238 11.2602 11.2602 11.5237 11.5237 11.5389 11.5389 12.9257 12.9257 12.9284 12.9284 13.0090 13.0090 13.4449 13.4449 13.4488 13.4488 13.4910 13.4910 13.5298 13.5298 13.6566 13.6566 14.1377 14.1377 14.1607 14.1607 15.4252 15.4252 17.8265 17.8265 17.8983 17.8983 17.9218 17.9218 17.9894 17.9894 17.9906 17.9906 18.0164 18.0164 k = 0.0000 0.0000 0.1696 ( 2126 PWs) bands (ev): 2.2315 2.2315 5.2742 5.2742 9.0970 9.0970 9.6395 9.6395 9.6778 9.6778 10.3935 10.3935 10.4432 10.4432 10.8898 10.8898 11.2447 11.2447 11.2807 11.2807 11.5224 11.5224 11.5371 11.5371 12.9220 12.9220 12.9509 12.9509 13.0308 13.0308 13.4454 13.4454 13.4500 13.4500 13.4895 13.4895 13.5263 13.5263 13.6500 13.6500 14.1186 14.1186 14.1392 14.1392 15.5040 15.5040 17.8338 17.8338 17.8566 17.8566 17.9331 17.9331 17.9988 17.9988 18.0310 18.0310 18.0597 18.0597 k = 0.0000 0.0000 0.1817 ( 2126 PWs) bands (ev): 2.2738 2.2738 5.1618 5.1618 9.1864 9.1864 9.6490 9.6490 9.6875 9.6875 10.3634 10.3634 10.4123 10.4123 10.8874 10.8874 11.2648 11.2648 11.3003 11.3003 11.5210 11.5210 11.5352 11.5352 12.9164 12.9164 12.9774 12.9774 13.0537 13.0537 13.4458 13.4458 13.4513 13.4513 13.4881 13.4881 13.5219 13.5219 13.6409 13.6409 14.0983 14.0983 14.1164 14.1164 15.5899 15.5899 17.8150 17.8150 17.8431 17.8431 17.9451 17.9451 18.0090 18.0090 18.0742 18.0742 18.1061 18.1061 k = 0.0000 0.0000 0.1938 ( 2132 PWs) bands (ev): 2.3190 2.3190 5.0494 5.0494 9.2746 9.2746 9.6593 9.6593 9.6979 9.6979 10.3335 10.3335 10.3817 10.3817 10.8833 10.8833 11.2841 11.2841 11.3189 11.3189 11.5196 11.5196 11.5334 11.5334 12.9113 12.9113 13.0050 13.0050 13.0776 13.0776 13.4463 13.4463 13.4528 13.4528 13.4869 13.4869 13.5165 13.5165 13.6295 13.6295 14.0769 14.0769 14.0923 14.0923 15.6824 15.6824 17.7737 17.7737 17.8549 17.8549 17.9581 17.9581 18.0200 18.0200 18.1200 18.1200 18.1557 18.1557 k = 0.0000 0.0000 0.2059 ( 2132 PWs) bands (ev): 2.3669 2.3669 4.9373 4.9373 9.3615 9.3615 9.6702 9.6702 9.7090 9.7090 10.3040 10.3040 10.3515 10.3515 10.8773 10.8773 11.3025 11.3025 11.3366 11.3366 11.5182 11.5182 11.5316 11.5316 12.9080 12.9080 13.0337 13.0337 13.1024 13.1024 13.4467 13.4467 13.4544 13.4544 13.4859 13.4859 13.5096 13.5096 13.6167 13.6167 14.0544 14.0544 14.0669 14.0669 15.7809 15.7809 17.7329 17.7329 17.8697 17.8697 17.9720 17.9720 18.0319 18.0319 18.1683 18.1683 18.2083 18.2083 k = 0.0000 0.0000 0.2180 ( 2132 PWs) bands (ev): 2.4177 2.4177 4.8257 4.8257 9.4469 9.4469 9.6817 9.6817 9.7210 9.7210 10.2747 10.2747 10.3215 10.3215 10.8692 10.8692 11.3200 11.3200 11.3533 11.3533 11.5166 11.5166 11.5298 11.5298 12.9061 12.9061 13.0634 13.0634 13.1280 13.1280 13.4469 13.4469 13.4562 13.4562 13.4853 13.4853 13.5006 13.5006 13.6032 13.6032 14.0308 14.0308 14.0404 14.0404 15.8847 15.8847 17.6927 17.6927 17.8880 17.8880 17.9868 17.9868 18.0446 18.0446 18.2189 18.2189 18.2638 18.2638 k = 0.0000 0.0000 0.2302 ( 2120 PWs) bands (ev): 2.4713 2.4713 4.7148 4.7148 9.5305 9.5305 9.6940 9.6940 9.7337 9.7337 10.2458 10.2458 10.2920 10.2920 10.8589 10.8589 11.3366 11.3366 11.3690 11.3690 11.5150 11.5150 11.5280 11.5280 12.9061 12.9061 13.0941 13.0941 13.1544 13.1544 13.4471 13.4471 13.4584 13.4584 13.4852 13.4852 13.4888 13.4888 13.5901 13.5901 14.0065 14.0065 14.0128 14.0128 15.9928 15.9928 17.6534 17.6534 17.9106 17.9106 18.0025 18.0025 18.0583 18.0583 18.2712 18.2712 18.3221 18.3221 k = 0.0000 0.0000 0.2423 ( 2108 PWs) bands (ev): 2.5276 2.5276 4.6048 4.6048 9.6120 9.6120 9.7070 9.7070 9.7476 9.7476 10.2174 10.2174 10.2630 10.2630 10.8456 10.8456 11.3526 11.3526 11.3839 11.3839 11.5134 11.5134 11.5263 11.5263 12.9080 12.9080 13.1253 13.1253 13.1811 13.1811 13.4472 13.4472 13.4606 13.4606 13.4737 13.4737 13.4858 13.4858 13.5783 13.5783 13.9811 13.9811 13.9842 13.9842 16.1039 16.1039 17.6148 17.6148 17.9385 17.9385 18.0192 18.0192 18.0729 18.0729 18.3245 18.3245 18.3830 18.3830 k = 0.0000 0.0000 0.2544 ( 2108 PWs) bands (ev): 2.5866 2.5866 4.4960 4.4960 9.6904 9.6904 9.7206 9.7206 9.7635 9.7635 10.1893 10.1893 10.2343 10.2343 10.8295 10.8295 11.3673 11.3673 11.3977 11.3977 11.5116 11.5116 11.5244 11.5244 12.9120 12.9120 13.1567 13.1567 13.2079 13.2079 13.4468 13.4468 13.4550 13.4550 13.4628 13.4628 13.4872 13.4872 13.5681 13.5681 13.9545 13.9545 13.9548 13.9548 16.2166 16.2166 17.5771 17.5771 17.9724 17.9724 18.0370 18.0370 18.0887 18.0887 18.3767 18.3767 18.4457 18.4457 k = 0.0000 0.0000 0.2665 ( 2108 PWs) bands (ev): 2.6483 2.6483 4.3884 4.3884 9.7350 9.7350 9.7561 9.7561 9.7907 9.7907 10.1617 10.1617 10.2062 10.2062 10.8102 10.8102 11.3812 11.3812 11.4104 11.4104 11.5096 11.5096 11.5225 11.5225 12.9183 12.9183 13.1882 13.1882 13.2347 13.2347 13.4334 13.4334 13.4460 13.4460 13.4652 13.4652 13.4897 13.4897 13.5599 13.5599 13.9239 13.9239 13.9278 13.9278 16.3295 16.3295 17.5401 17.5401 18.0133 18.0133 18.0557 18.0557 18.1062 18.1062 18.4242 18.4242 18.5079 18.5079 k = 0.0000 0.0000 0.2786 ( 2096 PWs) bands (ev): 2.7127 2.7127 4.2822 4.2822 9.7502 9.7502 9.7844 9.7844 9.8543 9.8543 10.1346 10.1346 10.1786 10.1786 10.7878 10.7878 11.3945 11.3945 11.4226 11.4226 11.5078 11.5078 11.5208 11.5208 12.9271 12.9271 13.2190 13.2190 13.2611 13.2611 13.4099 13.4099 13.4449 13.4449 13.4676 13.4676 13.4935 13.4935 13.5534 13.5534 13.8924 13.8924 13.9001 13.9001 16.4407 16.4407 17.5038 17.5038 18.0611 18.0611 18.0755 18.0755 18.1267 18.1267 18.4596 18.4596 18.5560 18.5560 k = 0.0000 0.0000 0.2907 ( 2096 PWs) bands (ev): 2.7797 2.7797 4.1776 4.1776 9.7659 9.7659 9.8024 9.8024 9.9266 9.9266 10.1081 10.1081 10.1515 10.1515 10.7621 10.7621 11.4065 11.4065 11.4335 11.4335 11.5054 11.5054 11.5186 11.5186 12.9383 12.9383 13.2472 13.2472 13.2868 13.2868 13.3870 13.3870 13.4434 13.4434 13.4701 13.4701 13.4989 13.4989 13.5482 13.5482 13.8603 13.8603 13.8717 13.8717 16.5486 16.5486 17.4681 17.4681 18.0963 18.0963 18.1099 18.1099 18.1577 18.1577 18.4748 18.4748 18.5554 18.5554 k = 0.0000 0.0000 0.3028 ( 2096 PWs) bands (ev): 2.8494 2.8494 4.0745 4.0745 9.7823 9.7823 9.8197 9.8197 9.9982 9.9982 10.0820 10.0820 10.1250 10.1250 10.7331 10.7331 11.4177 11.4177 11.4435 11.4435 11.5028 11.5028 11.5164 11.5164 12.9520 12.9520 13.2680 13.2680 13.3112 13.3112 13.3699 13.3699 13.4415 13.4415 13.4725 13.4725 13.5064 13.5064 13.5442 13.5442 13.8275 13.8275 13.8429 13.8429 16.6513 16.6513 17.4327 17.4327 18.1181 18.1181 18.1436 18.1436 18.2166 18.2166 18.4703 18.4703 18.5276 18.5276 k = 0.0000 0.0000 0.3150 ( 2096 PWs) bands (ev): 2.9216 2.9216 3.9733 3.9733 9.7993 9.7993 9.8374 9.8374 10.0565 10.0565 10.0679 10.0679 10.0991 10.0991 10.7006 10.7006 11.4280 11.4280 11.4527 11.4527 11.4999 11.4999 11.5139 11.5139 12.9682 12.9682 13.2710 13.2710 13.3337 13.3337 13.3693 13.3693 13.4392 13.4392 13.4750 13.4750 13.5164 13.5164 13.5413 13.5413 13.7942 13.7942 13.8136 13.8136 16.7474 16.7474 17.3973 17.3973 18.1410 18.1410 18.1675 18.1675 18.2996 18.2996 18.4541 18.4541 18.4947 18.4947 k = 0.0000 0.0000 0.3271 ( 2084 PWs) bands (ev): 2.9964 2.9964 3.8738 3.8738 9.8171 9.8171 9.8556 9.8556 10.0316 10.0316 10.0737 10.0737 10.1354 10.1354 10.6649 10.6649 11.4377 11.4377 11.4612 11.4612 11.4968 11.4968 11.5113 11.5113 12.9872 12.9872 13.2547 13.2547 13.3539 13.3539 13.3870 13.3870 13.4366 13.4366 13.4774 13.4774 13.5293 13.5293 13.5399 13.5399 13.7606 13.7606 13.7841 13.7841 16.8356 16.8356 17.3616 17.3616 18.1650 18.1650 18.1896 18.1896 18.3995 18.3995 18.4321 18.4321 18.4609 18.4609 k = 0.0000 0.0000 0.3392 ( 2060 PWs) bands (ev): 3.0737 3.0737 3.7763 3.7763 9.8357 9.8357 9.8746 9.8746 10.0073 10.0073 10.0491 10.0491 10.2007 10.2007 10.6258 10.6258 11.4467 11.4467 11.4691 11.4691 11.4933 11.4933 11.5083 11.5083 13.0081 13.0081 13.2292 13.2292 13.3713 13.3713 13.4121 13.4121 13.4337 13.4337 13.4798 13.4798 13.5409 13.5409 13.5459 13.5459 13.7270 13.7270 13.7547 13.7547 16.9155 16.9155 17.3251 17.3251 18.1901 18.1901 18.2116 18.2116 18.4077 18.4077 18.4274 18.4274 18.5144 18.5144 k = 0.0000 0.0000 0.3513 ( 2060 PWs) bands (ev): 3.1534 3.1534 3.6808 3.6808 9.8549 9.8549 9.8941 9.8941 9.9836 9.9836 10.0250 10.0250 10.2635 10.2635 10.5833 10.5833 11.4547 11.4547 11.4759 11.4759 11.4893 11.4893 11.5051 11.5051 13.0312 13.0312 13.2002 13.2002 13.3858 13.3858 13.4301 13.4301 13.4375 13.4375 13.4815 13.4815 13.5450 13.5450 13.5653 13.5653 13.6932 13.6932 13.7251 13.7251 16.9871 16.9871 17.2873 17.2873 18.2162 18.2162 18.2342 18.2342 18.3822 18.3822 18.3945 18.3945 18.6436 18.6436 k = 0.0000 0.0000 0.3634 ( 2060 PWs) bands (ev): 3.2356 3.2356 3.5873 3.5873 9.8747 9.8747 9.9142 9.9142 9.9605 9.9605 10.0015 10.0015 10.3238 10.3238 10.5376 10.5376 11.4619 11.4619 11.4822 11.4822 11.4849 11.4849 11.5014 11.5014 13.0562 13.0562 13.1702 13.1702 13.3975 13.3975 13.4258 13.4258 13.4585 13.4585 13.4825 13.4825 13.5549 13.5549 13.5876 13.5876 13.6599 13.6599 13.6958 13.6958 17.0508 17.0508 17.2475 17.2475 18.2434 18.2434 18.2574 18.2574 18.3565 18.3565 18.3624 18.3624 18.7858 18.7858 k = 0.0000 0.0000 0.3755 ( 2060 PWs) bands (ev): 3.3201 3.3201 3.4960 3.4960 9.8952 9.8952 9.9351 9.9351 9.9381 9.9381 9.9787 9.9787 10.3813 10.3813 10.4880 10.4880 11.4687 11.4687 11.4802 11.4802 11.4879 11.4879 11.4975 11.4975 13.0829 13.0829 13.1402 13.1402 13.4069 13.4069 13.4207 13.4207 13.4724 13.4724 13.4822 13.4822 13.5729 13.5729 13.6124 13.6124 13.6278 13.6278 13.6669 13.6669 17.1077 17.1077 17.2049 17.2049 18.2716 18.2716 18.2813 18.2813 18.3309 18.3309 18.3311 18.3311 18.9395 18.9395 k = 0.0000 0.0000 0.3876 ( 2060 PWs) bands (ev): 3.4069 3.4069 3.4070 3.4070 9.9163 9.9163 9.9163 9.9163 9.9565 9.9565 9.9566 9.9566 10.4361 10.4361 10.4361 10.4361 11.4747 11.4747 11.4747 11.4747 11.4930 11.4930 11.4930 11.4930 13.1110 13.1110 13.1110 13.1110 13.4145 13.4145 13.4145 13.4145 13.4795 13.4795 13.4795 13.4795 13.5980 13.5980 13.5980 13.5980 13.6390 13.6390 13.6390 13.6390 17.1586 17.1586 17.1587 17.1587 18.3009 18.3009 18.3009 18.3009 18.3058 18.3058 18.3058 18.3058 19.1023 19.1024 k = 0.0000 0.0000 0.3876 ( 2060 PWs) bands (ev): 3.4069 3.4069 3.4070 3.4070 9.9163 9.9163 9.9163 9.9163 9.9565 9.9565 9.9566 9.9566 10.4361 10.4361 10.4361 10.4361 11.4747 11.4747 11.4747 11.4747 11.4930 11.4930 11.4930 11.4930 13.1110 13.1110 13.1110 13.1110 13.4145 13.4145 13.4145 13.4145 13.4795 13.4795 13.4795 13.4795 13.5980 13.5980 13.5980 13.5980 13.6390 13.6390 13.6390 13.6390 17.1586 17.1586 17.1587 17.1587 18.3009 18.3009 18.3009 18.3009 18.3058 18.3058 18.3058 18.3058 19.1023 19.1023 k = 0.0104 0.0060 0.3876 ( 2064 PWs) bands (ev): 3.4082 3.4082 3.4083 3.4083 9.9153 9.9153 9.9153 9.9153 9.9556 9.9556 9.9556 9.9556 10.4371 10.4371 10.4371 10.4371 11.4750 11.4750 11.4750 11.4750 11.4933 11.4933 11.4933 11.4933 13.1106 13.1106 13.1106 13.1106 13.4128 13.4128 13.4128 13.4128 13.4777 13.4777 13.4777 13.4777 13.5985 13.5985 13.5985 13.5985 13.6397 13.6397 13.6398 13.6398 17.1557 17.1557 17.1558 17.1558 18.2815 18.2815 18.2816 18.2816 18.2970 18.2970 18.2970 18.2970 19.0856 19.0856 k = 0.0208 0.0120 0.3876 ( 2074 PWs) bands (ev): 3.4122 3.4122 3.4123 3.4123 9.9116 9.9116 9.9116 9.9116 9.9536 9.9536 9.9536 9.9536 10.4401 10.4401 10.4401 10.4401 11.4759 11.4759 11.4759 11.4759 11.4941 11.4941 11.4941 11.4941 13.1094 13.1094 13.1094 13.1094 13.4077 13.4077 13.4078 13.4078 13.4724 13.4724 13.4724 13.4724 13.5997 13.5997 13.5997 13.5997 13.6419 13.6419 13.6419 13.6419 17.1465 17.1465 17.1466 17.1466 18.2353 18.2353 18.2353 18.2353 18.2630 18.2630 18.2630 18.2630 19.0535 19.0535 k = 0.0312 0.0180 0.3876 ( 2078 PWs) bands (ev): 3.4189 3.4189 3.4190 3.4190 9.9035 9.9035 9.9036 9.9036 9.9524 9.9524 9.9524 9.9524 10.4449 10.4449 10.4449 10.4449 11.4773 11.4773 11.4774 11.4774 11.4955 11.4955 11.4956 11.4956 13.1076 13.1076 13.1076 13.1076 13.3998 13.3998 13.3999 13.3999 13.4642 13.4642 13.4642 13.4642 13.6016 13.6016 13.6016 13.6016 13.6453 13.6453 13.6453 13.6453 17.1306 17.1306 17.1307 17.1307 18.1700 18.1700 18.1700 18.1700 18.2072 18.2072 18.2072 18.2072 19.0252 19.0252 k = 0.0417 0.0241 0.3876 ( 2078 PWs) bands (ev): 3.4283 3.4283 3.4284 3.4284 9.8900 9.8900 9.8900 9.8900 9.9536 9.9536 9.9536 9.9536 10.4513 10.4513 10.4513 10.4513 11.4795 11.4795 11.4795 11.4795 11.4977 11.4977 11.4978 11.4978 13.1050 13.1050 13.1050 13.1050 13.3893 13.3893 13.3893 13.3893 13.4533 13.4533 13.4533 13.4533 13.6038 13.6038 13.6038 13.6038 13.6494 13.6494 13.6494 13.6494 17.1065 17.1065 17.1066 17.1066 18.0923 18.0923 18.0923 18.0923 18.1360 18.1360 18.1360 18.1360 19.0056 19.0056 k = 0.0521 0.0301 0.3876 ( 2082 PWs) bands (ev): 3.4403 3.4403 3.4404 3.4404 9.8710 9.8710 9.8710 9.8710 9.9572 9.9572 9.9572 9.9572 10.4588 10.4588 10.4589 10.4589 11.4822 11.4822 11.4822 11.4822 11.5004 11.5004 11.5005 11.5005 13.1015 13.1015 13.1015 13.1015 13.3764 13.3764 13.3764 13.3764 13.4400 13.4400 13.4400 13.4400 13.6062 13.6062 13.6062 13.6062 13.6539 13.6539 13.6539 13.6539 17.0729 17.0729 17.0730 17.0730 18.0086 18.0086 18.0086 18.0086 18.0557 18.0557 18.0557 18.0557 18.9945 18.9945 k = 0.0625 0.0361 0.3876 ( 2086 PWs) bands (ev): 3.4550 3.4550 3.4551 3.4551 9.8474 9.8474 9.8474 9.8474 9.9629 9.9629 9.9629 9.9629 10.4672 10.4672 10.4673 10.4673 11.4854 11.4854 11.4855 11.4855 11.5038 11.5038 11.5038 11.5038 13.0970 13.0970 13.0970 13.0970 13.3616 13.3616 13.3616 13.3616 13.4248 13.4248 13.4248 13.4248 13.6082 13.6082 13.6082 13.6082 13.6584 13.6584 13.6584 13.6584 17.0277 17.0277 17.0278 17.0278 17.9231 17.9231 17.9231 17.9231 17.9724 17.9724 17.9724 17.9724 18.9901 18.9901 k = 0.0729 0.0421 0.3876 ( 2094 PWs) bands (ev): 3.4723 3.4723 3.4724 3.4724 9.8196 9.8196 9.8196 9.8196 9.9703 9.9703 9.9703 9.9703 10.4762 10.4762 10.4762 10.4762 11.4890 11.4890 11.4891 11.4891 11.5076 11.5076 11.5076 11.5076 13.0915 13.0915 13.0915 13.0915 13.3451 13.3451 13.3451 13.3451 13.4079 13.4079 13.4080 13.4080 13.6101 13.6101 13.6101 13.6101 13.6627 13.6627 13.6627 13.6627 16.9693 16.9693 16.9694 16.9694 17.8373 17.8373 17.8373 17.8373 17.8925 17.8925 17.8925 17.8925 18.9909 18.9909 k = 0.0833 0.0481 0.3876 ( 2090 PWs) bands (ev): 3.4923 3.4923 3.4924 3.4924 9.7884 9.7884 9.7884 9.7884 9.9793 9.9793 9.9793 9.9793 10.4857 10.4857 10.4857 10.4857 11.4933 11.4933 11.4933 11.4933 11.5121 11.5121 11.5121 11.5121 13.0847 13.0847 13.0847 13.0847 13.3273 13.3273 13.3273 13.3273 13.3899 13.3899 13.3899 13.3899 13.6115 13.6115 13.6115 13.6115 13.6666 13.6666 13.6666 13.6666 16.8971 16.8971 16.8971 16.8971 17.7495 17.7495 17.7495 17.7495 17.8231 17.8231 17.8231 17.8231 18.9958 18.9958 k = 0.0938 0.0541 0.3876 ( 2090 PWs) bands (ev): 3.5149 3.5149 3.5150 3.5150 9.7539 9.7539 9.7540 9.7540 9.9898 9.9898 9.9898 9.9898 10.4950 10.4950 10.4950 10.4950 11.4980 11.4980 11.4980 11.4980 11.5171 11.5171 11.5172 11.5172 13.0765 13.0765 13.0765 13.0765 13.3083 13.3083 13.3084 13.3084 13.3708 13.3708 13.3708 13.3708 13.6125 13.6125 13.6125 13.6125 13.6698 13.6698 13.6698 13.6698 16.8112 16.8112 16.8113 16.8113 17.6590 17.6590 17.6590 17.6590 17.7675 17.7675 17.7676 17.7676 19.0039 19.0039 k = 0.1042 0.0601 0.3876 ( 2092 PWs) bands (ev): 3.5401 3.5401 3.5402 3.5402 9.7166 9.7166 9.7166 9.7166 10.0016 10.0016 10.0016 10.0016 10.5042 10.5042 10.5042 10.5042 11.5030 11.5030 11.5030 11.5030 11.5225 11.5225 11.5225 11.5225 13.0668 13.0668 13.0668 13.0668 13.2884 13.2884 13.2885 13.2885 13.3508 13.3508 13.3508 13.3508 13.6129 13.6129 13.6129 13.6129 13.6724 13.6724 13.6724 13.6724 16.7134 16.7134 16.7135 16.7135 17.5673 17.5673 17.5673 17.5673 17.7252 17.7252 17.7253 17.7253 19.0147 19.0148 k = 0.1146 0.0662 0.3876 ( 2096 PWs) bands (ev): 3.5679 3.5679 3.5679 3.5679 9.6765 9.6765 9.6765 9.6765 10.0146 10.0146 10.0146 10.0146 10.5130 10.5130 10.5130 10.5130 11.5084 11.5084 11.5085 11.5085 11.5283 11.5283 11.5283 11.5283 13.0553 13.0553 13.0553 13.0553 13.2678 13.2678 13.2678 13.2678 13.3302 13.3302 13.3302 13.3302 13.6128 13.6128 13.6128 13.6128 13.6739 13.6739 13.6739 13.6739 16.6061 16.6061 16.6062 16.6062 17.4757 17.4757 17.4758 17.4758 17.6942 17.6942 17.6943 17.6943 19.0279 19.0279 k = 0.1250 0.0722 0.3876 ( 2096 PWs) bands (ev): 3.5982 3.5982 3.5983 3.5983 9.6338 9.6338 9.6338 9.6338 10.0289 10.0289 10.0290 10.0290 10.5214 10.5214 10.5214 10.5214 11.5143 11.5143 11.5144 11.5144 11.5345 11.5345 11.5345 11.5345 13.0420 13.0420 13.0420 13.0420 13.2466 13.2466 13.2466 13.2466 13.3093 13.3093 13.3094 13.3094 13.6123 13.6123 13.6123 13.6123 13.6744 13.6744 13.6744 13.6744 16.4920 16.4920 16.4920 16.4920 17.3852 17.3852 17.3852 17.3852 17.6724 17.6724 17.6725 17.6725 19.0430 19.0430 k = 0.1354 0.0782 0.3876 ( 2092 PWs) bands (ev): 3.6311 3.6311 3.6312 3.6312 9.5887 9.5887 9.5888 9.5888 10.0445 10.0445 10.0445 10.0445 10.5292 10.5292 10.5292 10.5292 11.5206 11.5206 11.5206 11.5206 11.5409 11.5409 11.5409 11.5409 13.0267 13.0267 13.0267 13.0267 13.2250 13.2250 13.2250 13.2250 13.2884 13.2884 13.2884 13.2884 13.6113 13.6113 13.6113 13.6113 13.6738 13.6738 13.6739 13.6739 16.3733 16.3733 16.3734 16.3734 17.2961 17.2961 17.2962 17.2962 17.6580 17.6580 17.6581 17.6581 19.0600 19.0600 k = 0.1458 0.0842 0.3876 ( 2088 PWs) bands (ev): 3.6665 3.6665 3.6666 3.6666 9.5413 9.5413 9.5414 9.5414 10.0613 10.0613 10.0613 10.0613 10.5364 10.5364 10.5365 10.5365 11.5271 11.5271 11.5271 11.5271 11.5475 11.5475 11.5476 11.5476 13.0094 13.0094 13.0094 13.0094 13.2030 13.2030 13.2030 13.2030 13.2674 13.2674 13.2675 13.2675 13.6099 13.6099 13.6100 13.6100 13.6722 13.6722 13.6722 13.6722 16.2523 16.2523 16.2524 16.2524 17.2091 17.2091 17.2091 17.2091 17.6495 17.6495 17.6496 17.6496 19.0788 19.0788 k = 0.1562 0.0902 0.3876 ( 2092 PWs) bands (ev): 3.7044 3.7044 3.7044 3.7044 9.4916 9.4916 9.4916 9.4916 10.0791 10.0791 10.0791 10.0791 10.5429 10.5429 10.5429 10.5429 11.5339 11.5339 11.5339 11.5339 11.5542 11.5542 11.5542 11.5542 12.9900 12.9900 12.9900 12.9900 13.1804 13.1804 13.1805 13.1805 13.2467 13.2467 13.2467 13.2467 13.6081 13.6081 13.6082 13.6082 13.6693 13.6693 13.6693 13.6693 16.1304 16.1304 16.1304 16.1304 17.1242 17.1242 17.1242 17.1242 17.6457 17.6457 17.6457 17.6458 19.0992 19.0992 k = 0.1667 0.0962 0.3876 ( 2088 PWs) bands (ev): 3.7447 3.7447 3.7448 3.7448 9.4396 9.4396 9.4397 9.4397 10.0981 10.0981 10.0981 10.0981 10.5486 10.5486 10.5486 10.5486 11.5409 11.5409 11.5409 11.5409 11.5609 11.5609 11.5609 11.5609 12.9687 12.9687 12.9687 12.9687 13.1575 13.1575 13.1575 13.1575 13.2265 13.2265 13.2265 13.2265 13.6059 13.6059 13.6060 13.6060 13.6654 13.6654 13.6654 13.6654 16.0090 16.0090 16.0091 16.0091 17.0419 17.0419 17.0419 17.0419 17.6457 17.6457 17.6458 17.6458 19.1212 19.1212 k = 0.1771 0.1022 0.3876 ( 2084 PWs) bands (ev): 3.7875 3.7875 3.7875 3.7875 9.3856 9.3856 9.3856 9.3856 10.1182 10.1182 10.1182 10.1182 10.5535 10.5535 10.5535 10.5535 11.5480 11.5480 11.5481 11.5481 11.5676 11.5676 11.5676 11.5676 12.9457 12.9457 12.9457 12.9457 13.1341 13.1341 13.1342 13.1342 13.2068 13.2068 13.2069 13.2069 13.6033 13.6033 13.6033 13.6033 13.6604 13.6604 13.6604 13.6604 15.8892 15.8892 15.8892 15.8892 16.9621 16.9621 16.9621 16.9621 17.6488 17.6488 17.6489 17.6489 19.1448 19.1448 k = 0.1875 0.1083 0.3876 ( 2088 PWs) bands (ev): 3.8326 3.8326 3.8327 3.8327 9.3293 9.3293 9.3293 9.3293 10.1392 10.1392 10.1392 10.1392 10.5575 10.5575 10.5575 10.5575 11.5550 11.5550 11.5551 11.5551 11.5742 11.5742 11.5742 11.5742 12.9211 12.9211 12.9211 12.9211 13.1102 13.1102 13.1102 13.1102 13.1879 13.1879 13.1879 13.1879 13.6000 13.6000 13.6000 13.6000 13.6545 13.6545 13.6545 13.6545 15.7715 15.7715 15.7715 15.7715 16.8852 16.8852 16.8852 16.8852 17.6544 17.6544 17.6545 17.6545 19.1700 19.1700 k = 0.1979 0.1143 0.3876 ( 2086 PWs) bands (ev): 3.8801 3.8801 3.8801 3.8801 9.2709 9.2709 9.2709 9.2709 10.1613 10.1613 10.1613 10.1613 10.5605 10.5605 10.5605 10.5605 11.5620 11.5620 11.5621 11.5621 11.5810 11.5810 11.5810 11.5810 12.8953 12.8953 12.8953 12.8953 13.0858 13.0858 13.0858 13.0858 13.1697 13.1697 13.1697 13.1697 13.5959 13.5959 13.5959 13.5959 13.6480 13.6480 13.6480 13.6480 15.6567 15.6567 15.6568 15.6568 16.8111 16.8111 16.8111 16.8111 17.6623 17.6623 17.6623 17.6623 19.1968 19.1968 k = 0.2083 0.1203 0.3876 ( 2096 PWs) bands (ev): 3.9298 3.9298 3.9299 3.9299 9.2102 9.2102 9.2103 9.2103 10.1843 10.1843 10.1843 10.1843 10.5625 10.5625 10.5626 10.5626 11.5685 11.5685 11.5685 11.5685 11.5877 11.5877 11.5877 11.5877 12.8685 12.8685 12.8685 12.8685 13.0607 13.0607 13.0607 13.0607 13.1523 13.1523 13.1523 13.1523 13.5904 13.5904 13.5904 13.5904 13.6413 13.6413 13.6413 13.6413 15.5452 15.5452 15.5452 15.5452 16.7400 16.7400 16.7400 16.7400 17.6718 17.6718 17.6719 17.6719 19.2252 19.2252 k = 0.2188 0.1263 0.3876 ( 2100 PWs) bands (ev): 3.9818 3.9818 3.9819 3.9819 9.1476 9.1476 9.1476 9.1476 10.2082 10.2082 10.2082 10.2082 10.5636 10.5636 10.5636 10.5636 11.5743 11.5743 11.5743 11.5743 11.5948 11.5948 11.5948 11.5948 12.8411 12.8411 12.8411 12.8411 13.0353 13.0353 13.0353 13.0353 13.1357 13.1357 13.1358 13.1358 13.5831 13.5831 13.5831 13.5831 13.6349 13.6349 13.6350 13.6350 15.4373 15.4373 15.4373 15.4373 16.6720 16.6720 16.6720 16.6720 17.6829 17.6829 17.6830 17.6830 19.2553 19.2553 k = 0.2292 0.1323 0.3876 ( 2096 PWs) bands (ev): 4.0360 4.0360 4.0360 4.0360 9.0829 9.0829 9.0830 9.0830 10.2330 10.2330 10.2330 10.2330 10.5637 10.5637 10.5637 10.5637 11.5792 11.5792 11.5792 11.5792 11.6024 11.6024 11.6025 11.6025 12.8136 12.8136 12.8136 12.8136 13.0095 13.0095 13.0095 13.0095 13.1201 13.1201 13.1201 13.1201 13.5738 13.5738 13.5738 13.5738 13.6296 13.6296 13.6296 13.6296 15.3333 15.3333 15.3334 15.3334 16.6071 16.6071 16.6071 16.6071 17.6952 17.6952 17.6953 17.6953 19.2872 19.2872 k = 0.2396 0.1383 0.3876 ( 2096 PWs) bands (ev): 4.0922 4.0922 4.0923 4.0923 9.0162 9.0162 9.0163 9.0163 10.2586 10.2586 10.2586 10.2586 10.5628 10.5628 10.5628 10.5628 11.5829 11.5829 11.5829 11.5829 11.6105 11.6105 11.6105 11.6105 12.7859 12.7859 12.7860 12.7860 12.9834 12.9834 12.9834 12.9834 13.1054 13.1054 13.1054 13.1054 13.5621 13.5621 13.5621 13.5621 13.6252 13.6252 13.6253 13.6253 15.2334 15.2334 15.2335 15.2335 16.5453 16.5453 16.5453 16.5453 17.7086 17.7086 17.7086 17.7086 19.3208 19.3208 k = 0.2500 0.1443 0.3876 ( 2108 PWs) bands (ev): 4.1505 4.1505 4.1506 4.1506 8.9475 8.9475 8.9475 8.9475 10.2849 10.2849 10.2849 10.2849 10.5608 10.5608 10.5608 10.5608 11.5854 11.5854 11.5854 11.5854 11.6189 11.6189 11.6189 11.6189 12.7584 12.7584 12.7584 12.7584 12.9570 12.9570 12.9570 12.9570 13.0916 13.0916 13.0917 13.0917 13.5480 13.5480 13.5480 13.5480 13.6220 13.6220 13.6220 13.6220 15.1376 15.1376 15.1376 15.1376 16.4867 16.4867 16.4867 16.4867 17.7226 17.7226 17.7227 17.7227 19.3563 19.3563 k = 0.2604 0.1504 0.3876 ( 2108 PWs) bands (ev): 4.2108 4.2108 4.2108 4.2108 8.8768 8.8768 8.8769 8.8769 10.3118 10.3118 10.3119 10.3119 10.5579 10.5579 10.5579 10.5579 11.5869 11.5869 11.5869 11.5869 11.6277 11.6277 11.6277 11.6277 12.7315 12.7315 12.7315 12.7315 12.9305 12.9305 12.9305 12.9305 13.0792 13.0792 13.0792 13.0792 13.5319 13.5319 13.5319 13.5319 13.6196 13.6196 13.6196 13.6196 15.0459 15.0459 15.0460 15.0460 16.4313 16.4313 16.4313 16.4313 17.7374 17.7374 17.7375 17.7375 19.3936 19.3936 k = 0.2708 0.1564 0.3876 ( 2108 PWs) bands (ev): 4.2729 4.2729 4.2729 4.2729 8.8043 8.8043 8.8043 8.8043 10.3394 10.3394 10.3394 10.3394 10.5540 10.5540 10.5540 10.5540 11.5873 11.5873 11.5873 11.5873 11.6367 11.6367 11.6367 11.6367 12.7053 12.7053 12.7053 12.7053 12.9039 12.9039 12.9039 12.9039 13.0680 13.0680 13.0680 13.0680 13.5142 13.5142 13.5142 13.5142 13.6179 13.6179 13.6179 13.6179 14.9584 14.9584 14.9584 14.9584 16.3791 16.3791 16.3791 16.3791 17.7525 17.7525 17.7526 17.7526 19.4328 19.4328 k = 0.2812 0.1624 0.3876 ( 2108 PWs) bands (ev): 4.3367 4.3367 4.3368 4.3368 8.7300 8.7300 8.7301 8.7301 10.3673 10.3673 10.3674 10.3674 10.5493 10.5493 10.5493 10.5493 11.5866 11.5866 11.5867 11.5867 11.6458 11.6458 11.6458 11.6458 12.6798 12.6798 12.6798 12.6798 12.8774 12.8774 12.8774 12.8774 13.0582 13.0582 13.0582 13.0582 13.4950 13.4950 13.4950 13.4950 13.6167 13.6167 13.6167 13.6167 14.8750 14.8750 14.8750 14.8750 16.3300 16.3300 16.3300 16.3300 17.7679 17.7679 17.7680 17.7680 19.4740 19.4740 k = 0.2917 0.1684 0.3876 ( 2108 PWs) bands (ev): 4.4022 4.4022 4.4023 4.4023 8.6540 8.6540 8.6541 8.6541 10.3956 10.3956 10.3956 10.3956 10.5439 10.5439 10.5439 10.5439 11.5851 11.5851 11.5851 11.5851 11.6548 11.6548 11.6549 11.6549 12.6553 12.6553 12.6553 12.6553 12.8509 12.8509 12.8509 12.8509 13.0500 13.0500 13.0500 13.0500 13.4746 13.4746 13.4746 13.4746 13.6159 13.6159 13.6160 13.6160 14.7955 14.7955 14.7956 14.7956 16.2840 16.2840 16.2840 16.2840 17.7835 17.7835 17.7836 17.7836 19.5172 19.5172 k = 0.3021 0.1744 0.3876 ( 2108 PWs) bands (ev): 4.4693 4.4693 4.4693 4.4693 8.5765 8.5765 8.5766 8.5766 10.4238 10.4238 10.4238 10.4238 10.5380 10.5380 10.5380 10.5380 11.5828 11.5828 11.5828 11.5828 11.6638 11.6638 11.6639 11.6639 12.6319 12.6319 12.6319 12.6319 12.8246 12.8246 12.8246 12.8246 13.0434 13.0434 13.0435 13.0435 13.4533 13.4533 13.4533 13.4533 13.6154 13.6154 13.6154 13.6154 14.7200 14.7200 14.7200 14.7200 16.2411 16.2411 16.2411 16.2411 17.7990 17.7990 17.7991 17.7991 19.5624 19.5624 k = 0.3125 0.1804 0.3876 ( 2106 PWs) bands (ev): 4.5376 4.5376 4.5377 4.5377 8.4977 8.4977 8.4977 8.4977 10.4513 10.4513 10.4513 10.4513 10.5323 10.5323 10.5323 10.5323 11.5797 11.5797 11.5798 11.5798 11.6726 11.6726 11.6727 11.6727 12.6096 12.6096 12.6096 12.6096 12.7985 12.7985 12.7985 12.7985 13.0387 13.0387 13.0387 13.0387 13.4312 13.4312 13.4313 13.4313 13.6151 13.6151 13.6152 13.6152 14.6482 14.6482 14.6482 14.6482 16.2011 16.2011 16.2011 16.2011 17.8143 17.8143 17.8144 17.8144 19.6097 19.6097 k = 0.3229 0.1864 0.3876 ( 2106 PWs) bands (ev): 4.6072 4.6072 4.6072 4.6072 8.4176 8.4176 8.4177 8.4177 10.4761 10.4761 10.4761 10.4761 10.5288 10.5288 10.5288 10.5288 11.5761 11.5761 11.5761 11.5761 11.6812 11.6812 11.6812 11.6812 12.5883 12.5883 12.5883 12.5883 12.7728 12.7728 12.7728 12.7728 13.0358 13.0358 13.0358 13.0358 13.4087 13.4087 13.4087 13.4087 13.6149 13.6149 13.6150 13.6150 14.5801 14.5801 14.5801 14.5801 16.1640 16.1640 16.1640 16.1640 17.8294 17.8294 17.8295 17.8295 19.6589 19.6589 k = 0.3333 0.1925 0.3876 ( 2106 PWs) bands (ev): 4.6777 4.6777 4.6778 4.6778 8.3366 8.3366 8.3367 8.3367 10.4910 10.4910 10.4910 10.4910 10.5345 10.5345 10.5345 10.5345 11.5720 11.5720 11.5720 11.5720 11.6894 11.6894 11.6894 11.6894 12.5681 12.5681 12.5681 12.5681 12.7477 12.7477 12.7477 12.7477 13.0347 13.0347 13.0347 13.0347 13.3858 13.3858 13.3859 13.3859 13.6149 13.6149 13.6150 13.6150 14.5155 14.5155 14.5155 14.5155 16.1298 16.1298 16.1298 16.1298 17.8441 17.8441 17.8442 17.8442 19.7102 19.7102 k = 0.3438 0.1985 0.3876 ( 2102 PWs) bands (ev): 4.7490 4.7490 4.7491 4.7491 8.2550 8.2550 8.2550 8.2550 10.4912 10.4912 10.4912 10.4912 10.5545 10.5545 10.5545 10.5545 11.5677 11.5677 11.5678 11.5678 11.6972 11.6972 11.6972 11.6972 12.5490 12.5490 12.5490 12.5490 12.7232 12.7232 12.7232 12.7232 13.0355 13.0355 13.0356 13.0356 13.3629 13.3629 13.3630 13.3630 13.6150 13.6150 13.6151 13.6151 14.4543 14.4543 14.4543 14.4543 16.0983 16.0983 16.0983 16.0983 17.8583 17.8583 17.8584 17.8584 19.7635 19.7635 k = 0.3542 0.2045 0.3876 ( 2102 PWs) bands (ev): 4.8208 4.8208 4.8208 4.8208 8.1730 8.1730 8.1731 8.1731 10.4848 10.4848 10.4848 10.4848 10.5805 10.5805 10.5805 10.5805 11.5631 11.5631 11.5631 11.5631 11.7045 11.7045 11.7046 11.7046 12.5309 12.5309 12.5309 12.5309 12.6993 12.6993 12.6994 12.6994 13.0381 13.0381 13.0382 13.0382 13.3402 13.3402 13.3403 13.3403 13.6152 13.6152 13.6152 13.6152 14.3965 14.3965 14.3965 14.3965 16.0694 16.0694 16.0694 16.0694 17.8720 17.8720 17.8720 17.8721 19.8187 19.8187 k = 0.3646 0.2105 0.3876 ( 2110 PWs) bands (ev): 4.8927 4.8927 4.8928 4.8928 8.0910 8.0910 8.0911 8.0911 10.4764 10.4764 10.4764 10.4764 10.6078 10.6078 10.6078 10.6078 11.5581 11.5581 11.5581 11.5581 11.7112 11.7112 11.7113 11.7113 12.5138 12.5138 12.5138 12.5138 12.6765 12.6765 12.6765 12.6765 13.0423 13.0423 13.0423 13.0423 13.3178 13.3178 13.3178 13.3178 13.6153 13.6153 13.6153 13.6153 14.3420 14.3420 14.3420 14.3420 16.0430 16.0430 16.0430 16.0430 17.8849 17.8849 17.8850 17.8850 19.8757 19.8757 k = 0.3750 0.2165 0.3876 ( 2108 PWs) bands (ev): 4.9645 4.9645 4.9645 4.9645 8.0096 8.0096 8.0096 8.0096 10.4673 10.4673 10.4673 10.4673 10.6351 10.6351 10.6351 10.6351 11.5534 11.5534 11.5534 11.5534 11.7174 11.7174 11.7174 11.7174 12.4980 12.4980 12.4980 12.4980 12.6547 12.6547 12.6547 12.6547 13.0480 13.0480 13.0480 13.0480 13.2961 13.2961 13.2962 13.2962 13.6155 13.6155 13.6155 13.6155 14.2906 14.2906 14.2907 14.2907 16.0191 16.0191 16.0191 16.0191 17.8971 17.8971 17.8972 17.8972 19.9344 19.9344 k = 0.3854 0.2225 0.3876 ( 2106 PWs) bands (ev): 5.0356 5.0356 5.0356 5.0356 7.9291 7.9291 7.9292 7.9292 10.4581 10.4581 10.4581 10.4581 10.6619 10.6619 10.6619 10.6619 11.5488 11.5488 11.5488 11.5488 11.7230 11.7230 11.7230 11.7230 12.4831 12.4831 12.4831 12.4831 12.6341 12.6341 12.6341 12.6341 13.0550 13.0550 13.0551 13.0551 13.2754 13.2754 13.2754 13.2754 13.6156 13.6156 13.6157 13.6157 14.2425 14.2425 14.2425 14.2425 15.9974 15.9974 15.9975 15.9975 17.9086 17.9086 17.9087 17.9087 19.9948 19.9948 k = 0.3958 0.2285 0.3876 ( 2098 PWs) bands (ev): 5.1055 5.1055 5.1055 5.1055 7.8503 7.8503 7.8503 7.8503 10.4490 10.4490 10.4490 10.4490 10.6878 10.6878 10.6879 10.6879 11.5445 11.5445 11.5445 11.5445 11.7277 11.7277 11.7277 11.7277 12.4694 12.4694 12.4694 12.4694 12.6149 12.6149 12.6149 12.6149 13.0632 13.0632 13.0633 13.0633 13.2559 13.2559 13.2559 13.2559 13.6158 13.6158 13.6158 13.6158 14.1977 14.1977 14.1977 14.1977 15.9781 15.9781 15.9781 15.9781 17.9192 17.9192 17.9193 17.9193 20.0564 20.0564 k = 0.4062 0.2345 0.3876 ( 2098 PWs) bands (ev): 5.1736 5.1736 5.1737 5.1737 7.7738 7.7738 7.7738 7.7738 10.4402 10.4402 10.4402 10.4402 10.7125 10.7125 10.7125 10.7125 11.5404 11.5404 11.5404 11.5404 11.7317 11.7317 11.7317 11.7317 12.4567 12.4567 12.4567 12.4567 12.5971 12.5971 12.5972 12.5972 13.0719 13.0719 13.0719 13.0719 13.2376 13.2376 13.2377 13.2377 13.6159 13.6159 13.6159 13.6159 14.1562 14.1562 14.1562 14.1562 15.9609 15.9609 15.9609 15.9609 17.9289 17.9289 17.9290 17.9290 20.1191 20.1191 k = 0.4167 0.2406 0.3876 ( 2100 PWs) bands (ev): 5.2392 5.2392 5.2393 5.2393 7.7005 7.7005 7.7005 7.7005 10.4318 10.4318 10.4319 10.4319 10.7357 10.7357 10.7357 10.7357 11.5367 11.5367 11.5367 11.5367 11.7348 11.7348 11.7349 11.7349 12.4451 12.4451 12.4452 12.4452 12.5810 12.5810 12.5810 12.5810 13.0808 13.0808 13.0809 13.0809 13.2210 13.2210 13.2211 13.2211 13.6159 13.6159 13.6160 13.6160 14.1182 14.1182 14.1182 14.1182 15.9457 15.9457 15.9457 15.9457 17.9376 17.9376 17.9377 17.9377 20.1825 20.1825 k = 0.4271 0.2466 0.3876 ( 2100 PWs) bands (ev): 5.3015 5.3015 5.3015 5.3015 7.6312 7.6312 7.6312 7.6312 10.4242 10.4242 10.4242 10.4242 10.7571 10.7571 10.7571 10.7571 11.5333 11.5333 11.5333 11.5333 11.7374 11.7374 11.7374 11.7374 12.4348 12.4348 12.4348 12.4348 12.5665 12.5665 12.5665 12.5665 13.0896 13.0896 13.0896 13.0896 13.2065 13.2065 13.2065 13.2065 13.6159 13.6159 13.6159 13.6159 14.0837 14.0837 14.0838 14.0838 15.9325 15.9325 15.9325 15.9325 17.9454 17.9454 17.9455 17.9455 20.2460 20.2460 k = 0.4375 0.2526 0.3876 ( 2104 PWs) bands (ev): 5.3592 5.3592 5.3593 5.3593 7.5671 7.5671 7.5672 7.5672 10.4173 10.4173 10.4173 10.4173 10.7764 10.7764 10.7764 10.7764 11.5303 11.5303 11.5303 11.5303 11.7393 11.7393 11.7393 11.7393 12.4256 12.4256 12.4256 12.4256 12.5537 12.5537 12.5537 12.5537 13.0976 13.0976 13.0976 13.0976 13.1942 13.1942 13.1943 13.1943 13.6158 13.6158 13.6159 13.6159 14.0531 14.0531 14.0532 14.0532 15.9212 15.9212 15.9212 15.9212 17.9522 17.9522 17.9523 17.9523 20.3087 20.3088 k = 0.4479 0.2586 0.3876 ( 2108 PWs) bands (ev): 5.4115 5.4115 5.4115 5.4115 7.5095 7.5095 7.5095 7.5095 10.4113 10.4113 10.4113 10.4113 10.7933 10.7933 10.7933 10.7933 11.5276 11.5276 11.5277 11.5277 11.7407 11.7407 11.7407 11.7407 12.4177 12.4177 12.4177 12.4177 12.5429 12.5429 12.5429 12.5429 13.1042 13.1042 13.1042 13.1042 13.1846 13.1846 13.1846 13.1846 13.6157 13.6157 13.6157 13.6157 14.0266 14.0266 14.0266 14.0266 15.9117 15.9117 15.9118 15.9118 17.9580 17.9580 17.9581 17.9581 20.3697 20.3697 k = 0.4583 0.2646 0.3876 ( 2110 PWs) bands (ev): 5.4568 5.4568 5.4568 5.4568 7.4596 7.4596 7.4596 7.4596 10.4062 10.4062 10.4062 10.4062 10.8076 10.8076 10.8076 10.8076 11.5255 11.5255 11.5255 11.5255 11.7416 11.7416 11.7416 11.7416 12.4112 12.4112 12.4113 12.4113 12.5340 12.5340 12.5340 12.5340 13.1089 13.1089 13.1089 13.1089 13.1780 13.1780 13.1781 13.1781 13.6155 13.6155 13.6155 13.6155 14.0044 14.0044 14.0044 14.0044 15.9041 15.9041 15.9041 15.9041 17.9628 17.9628 17.9629 17.9629 20.4272 20.4272 k = 0.4688 0.2706 0.3876 ( 2110 PWs) bands (ev): 5.4940 5.4940 5.4940 5.4940 7.4189 7.4189 7.4189 7.4189 10.4022 10.4022 10.4022 10.4022 10.8190 10.8190 10.8190 10.8190 11.5238 11.5238 11.5238 11.5238 11.7422 11.7422 11.7422 11.7422 12.4061 12.4061 12.4062 12.4062 12.5270 12.5270 12.5270 12.5270 13.1116 13.1116 13.1116 13.1116 13.1743 13.1743 13.1743 13.1743 13.6153 13.6153 13.6154 13.6154 13.9868 13.9868 13.9868 13.9868 15.8982 15.8982 15.8982 15.8982 17.9665 17.9665 17.9666 17.9666 20.4787 20.4787 k = 0.4792 0.2766 0.3876 ( 2110 PWs) bands (ev): 5.5217 5.5217 5.5217 5.5217 7.3886 7.3886 7.3886 7.3886 10.3993 10.3993 10.3993 10.3993 10.8273 10.8273 10.8273 10.8273 11.5226 11.5226 11.5226 11.5226 11.7425 11.7425 11.7425 11.7425 12.4025 12.4025 12.4025 12.4025 12.5221 12.5221 12.5221 12.5221 13.1127 13.1127 13.1127 13.1127 13.1727 13.1727 13.1727 13.1727 13.6152 13.6152 13.6152 13.6152 13.9740 13.9740 13.9740 13.9740 15.8940 15.8940 15.8940 15.8940 17.9692 17.9692 17.9693 17.9693 20.5207 20.5208 k = 0.4896 0.2827 0.3876 ( 2114 PWs) bands (ev): 5.5388 5.5388 5.5388 5.5388 7.3699 7.3699 7.3699 7.3699 10.3976 10.3976 10.3976 10.3976 10.8324 10.8324 10.8324 10.8324 11.5219 11.5219 11.5219 11.5219 11.7426 11.7426 11.7426 11.7426 12.4002 12.4002 12.4002 12.4002 12.5190 12.5190 12.5190 12.5190 13.1128 13.1128 13.1129 13.1129 13.1722 13.1722 13.1723 13.1723 13.6150 13.6150 13.6151 13.6151 13.9662 13.9662 13.9662 13.9662 15.8915 15.8915 15.8915 15.8915 17.9708 17.9708 17.9709 17.9709 20.5488 20.5488 k = 0.5000 0.2887 0.3876 ( 2120 PWs) bands (ev): 5.5446 5.5446 5.5446 5.5446 7.3636 7.3636 7.3636 7.3636 10.3971 10.3971 10.3971 10.3971 10.8340 10.8340 10.8340 10.8340 11.5216 11.5216 11.5216 11.5216 11.7424 11.7424 11.7424 11.7424 12.3994 12.3994 12.3994 12.3994 12.5180 12.5180 12.5180 12.5180 13.1128 13.1128 13.1128 13.1128 13.1721 13.1721 13.1722 13.1722 13.6149 13.6149 13.6150 13.6150 13.9636 13.9636 13.9636 13.9636 15.8907 15.8907 15.8907 15.8907 17.9713 17.9713 17.9714 17.9714 20.5588 20.5588 k = 0.5000 0.2887 0.3876 ( 2120 PWs) bands (ev): 5.5446 5.5446 5.5446 5.5446 7.3636 7.3636 7.3636 7.3636 10.3971 10.3971 10.3971 10.3971 10.8340 10.8340 10.8340 10.8340 11.5216 11.5216 11.5216 11.5216 11.7424 11.7424 11.7424 11.7424 12.3994 12.3994 12.3994 12.3994 12.5180 12.5180 12.5180 12.5180 13.1128 13.1128 13.1128 13.1128 13.1721 13.1721 13.1722 13.1722 13.6149 13.6149 13.6150 13.6150 13.9636 13.9636 13.9636 13.9636 15.8907 15.8907 15.8907 15.8907 17.9713 17.9713 17.9714 17.9714 20.5588 20.5588 k = 0.4940 0.2990 0.3876 ( 2116 PWs) bands (ev): 5.5453 5.5453 5.5454 5.5454 7.3648 7.3648 7.3649 7.3649 10.3918 10.3918 10.3941 10.3941 10.8309 10.8309 10.8352 10.8352 11.5193 11.5193 11.5258 11.5258 11.7393 11.7393 11.7486 11.7486 12.3951 12.3951 12.4004 12.4004 12.5159 12.5159 12.5228 12.5228 13.1117 13.1117 13.1124 13.1124 13.1733 13.1733 13.1740 13.1740 13.6127 13.6127 13.6167 13.6167 13.9628 13.9628 13.9647 13.9647 15.8804 15.8804 15.8850 15.8850 17.9822 17.9822 17.9843 17.9843 20.5606 20.5607 k = 0.4881 0.3093 0.3876 ( 2116 PWs) bands (ev): 5.5475 5.5475 5.5478 5.5478 7.3684 7.3684 7.3687 7.3687 10.3785 10.3785 10.3829 10.3829 10.8259 10.8259 10.8343 10.8343 11.5190 11.5190 11.5320 11.5320 11.7386 11.7386 11.7570 11.7570 12.3882 12.3882 12.3976 12.3976 12.5166 12.5166 12.5292 12.5292 13.1092 13.1092 13.1105 13.1105 13.1771 13.1771 13.1785 13.1785 13.6097 13.6097 13.6178 13.6178 13.9624 13.9624 13.9661 13.9661 15.8548 15.8548 15.8639 15.8639 18.0164 18.0164 18.0203 18.0203 20.5661 20.5664 k = 0.4821 0.3196 0.3876 ( 2110 PWs) bands (ev): 5.5513 5.5513 5.5517 5.5517 7.3745 7.3745 7.3749 7.3749 10.3573 10.3573 10.3634 10.3634 10.8199 10.8199 10.8318 10.8318 11.5203 11.5203 11.5397 11.5397 11.7407 11.7407 11.7678 11.7678 12.3796 12.3796 12.3917 12.3917 12.5198 12.5198 12.5366 12.5366 13.1061 13.1061 13.1081 13.1081 13.1830 13.1830 13.1848 13.1848 13.6063 13.6063 13.6184 13.6184 13.9623 13.9623 13.9678 13.9678 15.8156 15.8156 15.8287 15.8287 18.0722 18.0722 18.0776 18.0776 20.5754 20.5756 k = 0.4762 0.3299 0.3876 ( 2110 PWs) bands (ev): 5.5566 5.5566 5.5571 5.5571 7.3830 7.3830 7.3835 7.3835 10.3281 10.3281 10.3354 10.3354 10.8136 10.8136 10.8281 10.8281 11.5229 11.5229 11.5483 11.5483 11.7453 11.7453 11.7805 11.7805 12.3699 12.3699 12.3831 12.3831 12.5249 12.5249 12.5441 12.5441 13.1031 13.1031 13.1056 13.1056 13.1903 13.1903 13.1923 13.1923 13.6021 13.6021 13.6183 13.6183 13.9625 13.9625 13.9697 13.9697 15.7653 15.7653 15.7819 15.7819 18.1472 18.1472 18.1535 18.1535 20.5884 20.5885 k = 0.4702 0.3402 0.3876 ( 2106 PWs) bands (ev): 5.5633 5.5633 5.5640 5.5640 7.3939 7.3939 7.3946 7.3946 10.2911 10.2911 10.2990 10.2990 10.8077 10.8077 10.8240 10.8240 11.5264 11.5264 11.5574 11.5574 11.7523 11.7523 11.7948 11.7948 12.3599 12.3599 12.3729 12.3729 12.5311 12.5311 12.5512 12.5512 13.1007 13.1007 13.1035 13.1035 13.1987 13.1987 13.2006 13.2006 13.5974 13.5974 13.6177 13.6177 13.9629 13.9629 13.9717 13.9717 15.7063 15.7063 15.7260 15.7260 18.2386 18.2386 18.2453 18.2453 20.6053 20.6062 k = 0.4643 0.3505 0.3876 ( 2102 PWs) bands (ev): 5.5716 5.5716 5.5724 5.5724 7.4073 7.4073 7.4081 7.4081 10.2465 10.2465 10.2547 10.2547 10.8026 10.8026 10.8200 10.8200 11.5303 11.5303 11.5664 11.5664 11.7614 11.7614 11.8102 11.8102 12.3499 12.3499 12.3618 12.3618 12.5376 12.5376 12.5575 12.5575 13.0995 13.0995 13.1024 13.1024 13.2077 13.2077 13.2092 13.2092 13.5921 13.5921 13.6166 13.6166 13.9635 13.9635 13.9737 13.9737 15.6410 15.6410 15.6634 15.6634 18.3436 18.3436 18.3501 18.3501 20.6263 20.6271 k = 0.4583 0.3608 0.3876 ( 2102 PWs) bands (ev): 5.5812 5.5812 5.5821 5.5821 7.4230 7.4230 7.4239 7.4239 10.1950 10.1950 10.2029 10.2029 10.7987 10.7987 10.8166 10.8166 11.5344 11.5344 11.5750 11.5750 11.7723 11.7723 11.8263 11.8263 12.3404 12.3404 12.3503 12.3503 12.5439 12.5439 12.5625 12.5625 13.0996 13.0996 13.1022 13.1022 13.2173 13.2173 13.2179 13.2179 13.5862 13.5862 13.6149 13.6149 13.9641 13.9641 13.9757 13.9757 15.5716 15.5716 15.5962 15.5962 18.4595 18.4595 18.4655 18.4655 20.6517 20.6524 k = 0.4524 0.3712 0.3876 ( 2106 PWs) bands (ev): 5.5922 5.5922 5.5932 5.5932 7.4410 7.4410 7.4421 7.4421 10.1369 10.1369 10.1444 10.1444 10.7961 10.7961 10.8139 10.8139 11.5384 11.5384 11.5830 11.5830 11.7842 11.7842 11.8425 11.8425 12.3316 12.3316 12.3387 12.3387 12.5499 12.5499 12.5663 12.5663 13.1011 13.1011 13.1032 13.1032 13.2266 13.2266 13.2273 13.2273 13.5796 13.5796 13.6127 13.6127 13.9646 13.9646 13.9774 13.9774 15.4999 15.4999 15.5263 15.5263 18.5840 18.5840 18.5889 18.5889 20.6803 20.6812 k = 0.4464 0.3815 0.3876 ( 2102 PWs) bands (ev): 5.6045 5.6045 5.6057 5.6057 7.4613 7.4613 7.4626 7.4626 10.0731 10.0731 10.0800 10.0800 10.7947 10.7947 10.8121 10.8121 11.5425 11.5425 11.5905 11.5905 11.7969 11.7969 11.8585 11.8585 12.3239 12.3239 12.3276 12.3276 12.5554 12.5554 12.5687 12.5687 13.1042 13.1042 13.1056 13.1056 13.2354 13.2354 13.2377 13.2377 13.5726 13.5726 13.6101 13.6101 13.9650 13.9650 13.9787 13.9787 15.4274 15.4274 15.4554 15.4554 18.7148 18.7148 18.7183 18.7183 20.7128 20.7131 k = 0.4405 0.3918 0.3876 ( 2098 PWs) bands (ev): 5.6180 5.6180 5.6193 5.6193 7.4838 7.4838 7.4853 7.4853 10.0041 10.0041 10.0104 10.0104 10.7944 10.7944 10.8111 10.8111 11.5463 11.5463 11.5974 11.5974 11.8098 11.8098 11.8738 11.8738 12.3169 12.3169 12.3175 12.3175 12.5604 12.5604 12.5699 12.5699 13.1089 13.1089 13.1092 13.1092 13.2441 13.2441 13.2484 13.2484 13.5652 13.5652 13.6070 13.6070 13.9650 13.9650 13.9795 13.9795 15.3553 15.3553 15.3846 15.3846 18.8499 18.8499 18.8516 18.8516 20.7494 20.7513 k = 0.4345 0.4021 0.3876 ( 2098 PWs) bands (ev): 5.6328 5.6328 5.6341 5.6341 7.5085 7.5085 7.5102 7.5102 9.9307 9.9307 9.9364 9.9364 10.7952 10.7952 10.8110 10.8110 11.5498 11.5498 11.6038 11.6038 11.8223 11.8223 11.8879 11.8879 12.3070 12.3070 12.3124 12.3124 12.5647 12.5647 12.5696 12.5696 13.1139 13.1139 13.1149 13.1149 13.2528 13.2528 13.2596 13.2596 13.5572 13.5572 13.6035 13.6035 13.9644 13.9644 13.9795 13.9795 15.2845 15.2845 15.3149 15.3149 18.9870 18.9870 18.9873 18.9873 20.7896 20.7905 k = 0.4286 0.4124 0.3876 ( 2094 PWs) bands (ev): 5.6485 5.6485 5.6500 5.6500 7.5353 7.5353 7.5372 7.5372 9.8535 9.8535 9.8587 9.8587 10.7967 10.7967 10.8117 10.8117 11.5531 11.5531 11.6097 11.6097 11.8341 11.8341 11.9007 11.9007 12.2978 12.2978 12.3089 12.3089 12.5681 12.5681 12.5684 12.5684 13.1197 13.1197 13.1222 13.1222 13.2616 13.2616 13.2713 13.2713 13.5490 13.5490 13.5998 13.5998 13.9630 13.9630 13.9784 13.9784 15.2159 15.2159 15.2472 15.2472 19.1226 19.1226 19.1253 19.1253 20.8326 20.8335 k = 0.4226 0.4227 0.3876 ( 2098 PWs) bands (ev): 5.6653 5.6653 5.6669 5.6669 7.5640 7.5640 7.5662 7.5662 9.7733 9.7733 9.7780 9.7780 10.7990 10.7990 10.8130 10.8130 11.5560 11.5560 11.6152 11.6152 11.8449 11.8449 11.9119 11.9119 12.2893 12.2893 12.3066 12.3066 12.5655 12.5655 12.5714 12.5714 13.1263 13.1263 13.1304 13.1304 13.2707 13.2707 13.2836 13.2836 13.5405 13.5405 13.5958 13.5958 13.9605 13.9605 13.9761 13.9761 15.1501 15.1501 15.1822 15.1822 19.2568 19.2568 19.2619 19.2619 20.8775 20.8776 k = 0.4167 0.4330 0.3876 ( 2100 PWs) bands (ev): 5.6829 5.6829 5.6845 5.6845 7.5946 7.5946 7.5971 7.5971 9.6908 9.6908 9.6951 9.6951 10.8018 10.8018 10.8149 10.8149 11.5585 11.5585 11.6204 11.6204 11.8545 11.8545 11.9217 11.9217 12.2816 12.2816 12.3057 12.3057 12.5621 12.5621 12.5740 12.5740 13.1334 13.1334 13.1392 13.1392 13.2803 13.2803 13.2967 13.2967 13.5320 13.5320 13.5916 13.5916 13.9567 13.9567 13.9722 13.9722 15.0877 15.0877 15.1205 15.1205 19.3877 19.3877 19.3955 19.3955 20.9216 20.9225 k = 0.4107 0.4433 0.3876 ( 2096 PWs) bands (ev): 5.7011 5.7011 5.7029 5.7029 7.6269 7.6269 7.6297 7.6297 9.6066 9.6066 9.6106 9.6106 10.8051 10.8051 10.8172 10.8172 11.5609 11.5609 11.6253 11.6253 11.8631 11.8631 11.9300 11.9300 12.2747 12.2747 12.3060 12.3060 12.5582 12.5582 12.5764 12.5764 13.1408 13.1408 13.1484 13.1484 13.2907 13.2907 13.3107 13.3107 13.5235 13.5235 13.5874 13.5874 13.9514 13.9514 13.9665 13.9665 15.0292 15.0292 15.0625 15.0625 19.5140 19.5140 19.5244 19.5244 20.9609 20.9621 k = 0.4048 0.4536 0.3876 ( 2102 PWs) bands (ev): 5.7200 5.7200 5.7218 5.7218 7.6608 7.6608 7.6639 7.6639 9.5212 9.5212 9.5251 9.5251 10.8086 10.8086 10.8199 10.8199 11.5628 11.5628 11.6299 11.6299 11.8703 11.8703 11.9369 11.9369 12.2684 12.2684 12.3072 12.3072 12.5537 12.5537 12.5784 12.5784 13.1479 13.1479 13.1575 13.1575 13.3022 13.3022 13.3257 13.3257 13.5153 13.5153 13.5832 13.5832 13.9441 13.9441 13.9586 13.9586 14.9749 14.9749 15.0086 15.0086 19.6342 19.6342 19.6470 19.6470 20.9960 20.9960 k = 0.3988 0.4639 0.3876 ( 2106 PWs) bands (ev): 5.7391 5.7391 5.7410 5.7410 7.6959 7.6959 7.6994 7.6994 9.4357 9.4357 9.4396 9.4396 10.8125 10.8125 10.8229 10.8229 11.5644 11.5644 11.6341 11.6341 11.8765 11.8765 11.9426 11.9426 12.2627 12.2627 12.3091 12.3091 12.5490 12.5490 12.5801 12.5801 13.1545 13.1545 13.1663 13.1663 13.3149 13.3149 13.3417 13.3417 13.5077 13.5077 13.5790 13.5790 13.9348 13.9348 13.9483 13.9483 14.9253 14.9253 14.9594 14.9594 19.7472 19.7472 19.7623 19.7623 21.0246 21.0247 k = 0.3929 0.4743 0.3876 ( 2098 PWs) bands (ev): 5.7585 5.7585 5.7605 5.7605 7.7320 7.7320 7.7360 7.7360 9.3507 9.3507 9.3547 9.3547 10.8166 10.8166 10.8262 10.8262 11.5657 11.5657 11.6380 11.6380 11.8818 11.8818 11.9475 11.9475 12.2576 12.2576 12.3115 12.3115 12.5444 12.5444 12.5818 12.5818 13.1605 13.1605 13.1747 13.1747 13.3293 13.3293 13.3587 13.3587 13.5011 13.5011 13.5750 13.5750 13.9232 13.9232 13.9354 13.9354 14.8807 14.8807 14.9151 14.9151 19.8524 19.8524 19.8695 19.8695 21.0461 21.0461 k = 0.3869 0.4846 0.3876 ( 2098 PWs) bands (ev): 5.7778 5.7778 5.7798 5.7798 7.7687 7.7687 7.7732 7.7732 9.2671 9.2671 9.2713 9.2713 10.8206 10.8206 10.8294 10.8294 11.5667 11.5667 11.6415 11.6415 11.8862 11.8862 11.9515 11.9515 12.2528 12.2528 12.3139 12.3139 12.5397 12.5397 12.5832 12.5832 13.1654 13.1654 13.1821 13.1821 13.3453 13.3453 13.3763 13.3763 13.4960 13.4960 13.5712 13.5712 13.9093 13.9093 13.9197 13.9197 14.8411 14.8411 14.8757 14.8757 19.9494 19.9494 19.9680 19.9680 21.0603 21.0603 k = 0.3810 0.4949 0.3876 ( 2094 PWs) bands (ev): 5.7967 5.7967 5.7988 5.7988 7.8056 7.8056 7.8106 7.8106 9.1859 9.1859 9.1903 9.1903 10.8246 10.8246 10.8327 10.8327 11.5673 11.5673 11.6447 11.6447 11.8899 11.8899 11.9550 11.9550 12.2485 12.2485 12.3164 12.3164 12.5353 12.5353 12.5845 12.5845 13.1693 13.1693 13.1885 13.1885 13.3630 13.3630 13.3936 13.3936 13.4936 13.4936 13.5677 13.5677 13.8930 13.8930 13.9011 13.9011 14.8066 14.8066 14.8414 14.8414 20.0380 20.0380 20.0576 20.0576 21.0679 21.0679 k = 0.3750 0.5052 0.3876 ( 2094 PWs) bands (ev): 5.8150 5.8150 5.8171 5.8171 7.8420 7.8420 7.8477 7.8477 9.1081 9.1081 9.1130 9.1130 10.8285 10.8285 10.8359 10.8359 11.5678 11.5678 11.6475 11.6475 11.8930 11.8930 11.9580 11.9580 12.2445 12.2445 12.3185 12.3185 12.5310 12.5310 12.5855 12.5855 13.1723 13.1723 13.1939 13.1939 13.3821 13.3821 13.4088 13.4088 13.4954 13.4954 13.5644 13.5644 13.8746 13.8746 13.8798 13.8798 14.7773 14.7773 14.8122 14.8122 20.1182 20.1182 20.1385 20.1385 21.0694 21.0694 k = 0.3690 0.5155 0.3876 ( 2090 PWs) bands (ev): 5.8323 5.8323 5.8345 5.8345 7.8772 7.8772 7.8835 7.8835 9.0351 9.0351 9.0405 9.0405 10.8321 10.8321 10.8390 10.8390 11.5680 11.5680 11.6499 11.6499 11.8957 11.8957 11.9607 11.9607 12.2408 12.2408 12.3204 12.3204 12.5272 12.5272 12.5863 12.5863 13.1745 13.1745 13.1984 13.1984 13.4024 13.4024 13.4201 13.4201 13.5038 13.5038 13.5614 13.5614 13.8545 13.8545 13.8557 13.8557 14.7529 14.7529 14.7879 14.7879 20.1901 20.1901 20.2107 20.2107 21.0657 21.0657 k = 0.3631 0.5258 0.3876 ( 2094 PWs) bands (ev): 5.8483 5.8483 5.8505 5.8505 7.9101 7.9101 7.9172 7.9172 8.9684 8.9684 8.9744 8.9744 10.8354 10.8354 10.8418 10.8418 11.5680 11.5680 11.6519 11.6519 11.8980 11.8980 11.9630 11.9630 12.2374 12.2374 12.3217 12.3217 12.5236 12.5236 12.5867 12.5867 13.1759 13.1759 13.2018 13.2018 13.4233 13.4233 13.4262 13.4262 13.5196 13.5196 13.5586 13.5586 13.8291 13.8291 13.8332 13.8332 14.7331 14.7331 14.7681 14.7681 20.2537 20.2537 20.2742 20.2742 21.0577 21.0577 k = 0.3571 0.5361 0.3876 ( 2094 PWs) bands (ev): 5.8624 5.8624 5.8646 5.8646 7.9395 7.9395 7.9474 7.9474 8.9099 8.9099 8.9166 8.9166 10.8383 10.8383 10.8442 10.8442 11.5679 11.5679 11.6535 11.6535 11.8999 11.8999 11.9651 11.9651 12.2346 12.2346 12.3228 12.3228 12.5205 12.5205 12.5869 12.5869 13.1767 13.1767 13.2044 13.2044 13.4286 13.4286 13.4442 13.4442 13.5414 13.5414 13.5560 13.5560 13.8005 13.8005 13.8116 13.8116 14.7179 14.7179 14.7529 14.7529 20.3085 20.3085 20.3286 20.3286 21.0466 21.0466 k = 0.3512 0.5464 0.3876 ( 2094 PWs) bands (ev): 5.8744 5.8744 5.8766 5.8766 7.9641 7.9641 7.9727 7.9727 8.8616 8.8616 8.8689 8.8689 10.8407 10.8407 10.8463 10.8463 11.5678 11.5678 11.6547 11.6547 11.9015 11.9015 11.9669 11.9669 12.2321 12.2321 12.3234 12.3234 12.5179 12.5179 12.5869 12.5869 13.1773 13.1773 13.2062 13.2062 13.4292 13.4292 13.4643 13.4643 13.5536 13.5536 13.5672 13.5672 13.7703 13.7703 13.7911 13.7911 14.7066 14.7066 14.7417 14.7417 20.3536 20.3536 20.3732 20.3732 21.0341 21.0341 k = 0.3452 0.5567 0.3876 ( 2094 PWs) bands (ev): 5.8835 5.8835 5.8858 5.8858 7.9824 7.9824 7.9916 7.9916 8.8255 8.8255 8.8334 8.8334 10.8425 10.8425 10.8478 10.8478 11.5676 11.5676 11.6555 11.6555 11.9028 11.9028 11.9683 11.9683 12.2303 12.2303 12.3238 12.3238 12.5159 12.5159 12.5867 12.5867 13.1776 13.1776 13.2073 13.2073 13.4291 13.4291 13.4819 13.4819 13.5511 13.5511 13.5952 13.5952 13.7394 13.7394 13.7735 13.7735 14.6991 14.6991 14.7341 14.7341 20.3879 20.3879 20.4069 20.4069 21.0223 21.0223 k = 0.3393 0.5670 0.3876 ( 2090 PWs) bands (ev): 5.8895 5.8895 5.8917 5.8917 7.9934 7.9934 8.0031 8.0031 8.8033 8.8033 8.8116 8.8116 10.8437 10.8437 10.8489 10.8489 11.5676 11.5676 11.6561 11.6561 11.9036 11.9036 11.9693 11.9693 12.2292 12.2292 12.3240 12.3240 12.5146 12.5146 12.5865 12.5865 13.1777 13.1777 13.2079 13.2079 13.4289 13.4289 13.4948 13.4948 13.5488 13.5488 13.6228 13.6228 13.7099 13.7099 13.7611 13.7611 14.6948 14.6948 14.7299 14.7299 20.4096 20.4096 20.4281 20.4281 21.0136 21.0136 k = 0.3333 0.5774 0.3876 ( 2082 PWs) bands (ev): 5.8916 5.8916 5.8938 5.8938 7.9970 7.9970 8.0068 8.0068 8.7958 8.7958 8.8043 8.8043 10.8441 10.8441 10.8492 10.8492 11.5676 11.5676 11.6563 11.6563 11.9040 11.9040 11.9697 11.9697 12.2289 12.2289 12.3241 12.3241 12.5141 12.5141 12.5865 12.5865 13.1778 13.1778 13.2081 13.2081 13.4289 13.4289 13.4998 13.4998 13.5478 13.5478 13.6389 13.6389 13.6934 13.6934 13.7566 13.7566 14.6936 14.6936 14.7286 14.7286 20.4170 20.4170 20.4355 20.4355 21.0103 21.0103 k = 0.3333 0.5774 0.3876 ( 2082 PWs) bands (ev): 5.8916 5.8916 5.8938 5.8938 7.9970 7.9970 8.0068 8.0068 8.7958 8.7958 8.8043 8.8043 10.8441 10.8441 10.8492 10.8492 11.5676 11.5676 11.6563 11.6563 11.9040 11.9040 11.9697 11.9697 12.2289 12.2289 12.3241 12.3241 12.5141 12.5141 12.5865 12.5865 13.1778 13.1778 13.2081 13.2081 13.4289 13.4289 13.4998 13.4998 13.5478 13.5478 13.6389 13.6389 13.6934 13.6934 13.7566 13.7566 14.6936 14.6936 14.7286 14.7286 20.4170 20.4170 20.4355 20.4355 21.0103 21.0103 k = 0.3273 0.5669 0.3876 ( 2094 PWs) bands (ev): 5.8892 5.8892 5.8914 5.8914 7.9937 7.9937 8.0034 8.0034 8.8032 8.8032 8.8116 8.8116 10.8436 10.8436 10.8488 10.8488 11.5676 11.5676 11.6561 11.6561 11.9036 11.9036 11.9692 11.9692 12.2292 12.2292 12.3240 12.3240 12.5146 12.5146 12.5866 12.5866 13.1777 13.1777 13.2079 13.2079 13.4289 13.4289 13.4944 13.4944 13.5489 13.5489 13.6217 13.6217 13.7112 13.7112 13.7615 13.7615 14.6947 14.6947 14.7297 14.7297 20.4092 20.4092 20.4278 20.4278 21.0141 21.0141 k = 0.3212 0.5564 0.3876 ( 2094 PWs) bands (ev): 5.8818 5.8818 5.8840 5.8840 7.9855 7.9855 7.9948 7.9948 8.8243 8.8243 8.8323 8.8323 10.8423 10.8423 10.8477 10.8477 11.5677 11.5677 11.6556 11.6556 11.9025 11.9025 11.9679 11.9679 12.2306 12.2306 12.3240 12.3240 12.5165 12.5165 12.5873 12.5873 13.1775 13.1775 13.2075 13.2075 13.4288 13.4288 13.4800 13.4800 13.5513 13.5513 13.5913 13.5913 13.7443 13.7443 13.7761 13.7761 14.6984 14.6984 14.7334 14.7334 20.3861 20.3861 20.4052 20.4052 21.0253 21.0253 k = 0.3152 0.5459 0.3876 ( 2098 PWs) bands (ev): 5.8688 5.8688 5.8711 5.8711 7.9746 7.9746 7.9833 7.9833 8.8571 8.8571 8.8645 8.8645 10.8400 10.8400 10.8456 10.8456 11.5679 11.5679 11.6547 11.6547 11.9005 11.9005 11.9655 11.9655 12.2329 12.2329 12.3240 12.3240 12.5200 12.5200 12.5888 12.5888 13.1770 13.1770 13.2068 13.2068 13.4281 13.4281 13.4596 13.4596 13.5540 13.5540 13.5597 13.5597 13.7813 13.7813 13.7986 13.7986 14.7042 14.7042 14.7393 14.7393 20.3495 20.3495 20.3692 20.3692 21.0429 21.0429 k = 0.3091 0.5354 0.3876 ( 2102 PWs) bands (ev): 5.8500 5.8500 5.8522 5.8522 7.9636 7.9636 7.9716 7.9716 8.8992 8.8992 8.9061 8.9061 10.8367 10.8367 10.8427 10.8427 11.5683 11.5683 11.6534 11.6534 11.8977 11.8977 11.9620 11.9620 12.2362 12.2362 12.3242 12.3242 12.5252 12.5252 12.5912 12.5912 13.1758 13.1758 13.2058 13.2058 13.4257 13.4257 13.4359 13.4359 13.5302 13.5302 13.5566 13.5566 13.8204 13.8204 13.8271 13.8271 14.7119 14.7119 14.7470 14.7470 20.3016 20.3016 20.3219 20.3219 21.0650 21.0650 k = 0.3030 0.5249 0.3876 ( 2102 PWs) bands (ev): 5.8251 5.8251 5.8273 5.8273 7.9544 7.9544 7.9618 7.9618 8.9488 8.9488 8.9551 8.9551 10.8324 10.8324 10.8389 10.8389 11.5687 11.5687 11.6519 11.6519 11.8938 11.8938 11.9572 11.9572 12.2406 12.2406 12.3248 12.3248 12.5323 12.5323 12.5950 12.5950 13.1738 13.1738 13.2045 13.2045 13.4111 13.4111 13.4192 13.4192 13.5059 13.5059 13.5592 13.5592 13.8600 13.8600 13.8610 13.8610 14.7214 14.7214 14.7566 14.7566 20.2448 20.2448 20.2656 20.2656 21.0897 21.0897 k = 0.2970 0.5144 0.3876 ( 2104 PWs) bands (ev): 5.7940 5.7940 5.7961 5.7961 7.9488 7.9488 7.9555 7.9555 9.0042 9.0042 9.0099 9.0099 10.8271 10.8271 10.8341 10.8341 11.5693 11.5693 11.6500 11.6500 11.8889 11.8889 11.9510 11.9510 12.2462 12.2462 12.3259 12.3259 12.5415 12.5415 12.6003 12.6003 13.1703 13.1703 13.2024 13.2024 13.3867 13.3867 13.4061 13.4061 13.4901 13.4901 13.5621 13.5621 13.8962 13.8962 13.9029 13.9029 14.7325 14.7325 14.7678 14.7678 20.1811 20.1811 20.2022 20.2022 21.1153 21.1153 k = 0.2909 0.5039 0.3876 ( 2104 PWs) bands (ev): 5.7567 5.7567 5.7588 5.7588 7.9477 7.9477 7.9539 7.9539 9.0640 9.0640 9.0692 9.0692 10.8208 10.8208 10.8285 10.8285 11.5697 11.5697 11.6477 11.6477 11.8829 11.8829 11.9435 11.9435 12.2529 12.2529 12.3277 12.3277 12.5528 12.5528 12.6072 12.6072 13.1646 13.1646 13.1992 13.1992 13.3642 13.3642 13.3868 13.3868 13.4830 13.4830 13.5651 13.5651 13.9352 13.9352 13.9462 13.9462 14.7452 14.7452 14.7805 14.7805 20.1121 20.1121 20.1333 20.1333 21.1404 21.1404 k = 0.2848 0.4934 0.3876 ( 2104 PWs) bands (ev): 5.7135 5.7135 5.7156 5.7156 7.9520 7.9520 7.9576 7.9576 9.1272 9.1272 9.1320 9.1320 10.8135 10.8135 10.8218 10.8218 11.5702 11.5702 11.6450 11.6450 11.8758 11.8758 11.9347 11.9347 12.2609 12.2609 12.3305 12.3305 12.5662 12.5662 12.6159 12.6159 13.1560 13.1560 13.1943 13.1943 13.3449 13.3449 13.3649 13.3649 13.4819 13.4819 13.5685 13.5685 13.9764 13.9764 13.9907 13.9907 14.7592 14.7592 14.7946 14.7946 20.0392 20.0392 20.0603 20.0603 21.1636 21.1636 k = 0.2788 0.4829 0.3876 ( 2100 PWs) bands (ev): 5.6649 5.6649 5.6669 5.6669 7.9618 7.9618 7.9669 7.9669 9.1929 9.1929 9.1973 9.1973 10.8052 10.8052 10.8142 10.8142 11.5705 11.5705 11.6420 11.6420 11.8677 11.8677 11.9245 11.9245 12.2702 12.2702 12.3344 12.3344 12.5816 12.5816 12.6264 12.6264 13.1439 13.1439 13.1867 13.1867 13.3297 13.3297 13.3442 13.3442 13.4840 13.4840 13.5722 13.5722 14.0196 14.0196 14.0364 14.0364 14.7748 14.7748 14.8102 14.8102 19.9632 19.9632 19.9842 19.9842 21.1841 21.1841 k = 0.2727 0.4724 0.3876 ( 2100 PWs) bands (ev): 5.6112 5.6112 5.6131 5.6131 7.9772 7.9772 7.9818 7.9818 9.2604 9.2604 9.2646 9.2646 10.7959 10.7959 10.8057 10.8057 11.5706 11.5706 11.6385 11.6385 11.8585 11.8585 11.9130 11.9130 12.2809 12.2809 12.3395 12.3395 12.5990 12.5990 12.6388 12.6388 13.1282 13.1282 13.1755 13.1755 13.3189 13.3189 13.3269 13.3269 13.4878 13.4878 13.5762 13.5762 14.0645 14.0645 14.0834 14.0834 14.7916 14.7916 14.8271 14.8271 19.8852 19.8852 19.9058 19.9058 21.2009 21.2010 k = 0.2667 0.4619 0.3876 ( 2100 PWs) bands (ev): 5.5530 5.5530 5.5549 5.5549 7.9981 7.9981 8.0022 8.0022 9.3291 9.3291 9.3330 9.3330 10.7857 10.7857 10.7963 10.7963 11.5706 11.5706 11.6347 11.6347 11.8484 11.8484 11.9004 11.9004 12.2928 12.2928 12.3461 12.3461 12.6181 12.6181 12.6530 12.6530 13.1095 13.1095 13.1604 13.1604 13.3124 13.3124 13.3145 13.3145 13.4929 13.4929 13.5805 13.5805 14.1112 14.1112 14.1316 14.1316 14.8099 14.8099 14.8454 14.8454 19.8056 19.8056 19.8259 19.8259 21.2135 21.2135 k = 0.2606 0.4514 0.3876 ( 2096 PWs) bands (ev): 5.4910 5.4910 5.4927 5.4927 8.0240 8.0240 8.0278 8.0278 9.3984 9.3984 9.4021 9.4021 10.7746 10.7746 10.7860 10.7860 11.5703 11.5703 11.6307 11.6307 11.8375 11.8375 11.8869 11.8869 12.3063 12.3063 12.3544 12.3544 12.6389 12.6389 12.6690 12.6690 13.0888 13.0888 13.1419 13.1419 13.3068 13.3068 13.3095 13.3095 13.4987 13.4987 13.5853 13.5853 14.1595 14.1595 14.1812 14.1812 14.8295 14.8295 14.8651 14.8651 19.7251 19.7251 19.7449 19.7449 21.2213 21.2214 k = 0.2545 0.4409 0.3876 ( 2088 PWs) bands (ev): 5.4256 5.4256 5.4273 5.4273 8.0548 8.0548 8.0582 8.0582 9.4678 9.4678 9.4714 9.4714 10.7628 10.7628 10.7749 10.7749 11.5699 11.5699 11.6264 11.6264 11.8259 11.8259 11.8726 11.8726 12.3213 12.3213 12.3643 12.3643 12.6612 12.6612 12.6865 12.6865 13.0668 13.0668 13.1209 13.1209 13.3032 13.3032 13.3094 13.3094 13.5052 13.5052 13.5903 13.5903 14.2096 14.2096 14.2322 14.2322 14.8506 14.8506 14.8863 14.8863 19.6441 19.6441 19.6633 19.6633 21.2240 21.2240 k = 0.2485 0.4304 0.3876 ( 2088 PWs) bands (ev): 5.3575 5.3575 5.3591 5.3591 8.0899 8.0899 8.0929 8.0929 9.5368 9.5368 9.5403 9.5403 10.7502 10.7502 10.7630 10.7630 11.5691 11.5691 11.6219 11.6219 11.8138 11.8138 11.8577 11.8577 12.3376 12.3376 12.3759 12.3759 12.6848 12.6848 12.7054 12.7054 13.0447 13.0447 13.0985 13.0985 13.3027 13.3027 13.3113 13.3113 13.5120 13.5120 13.5956 13.5956 14.2613 14.2613 14.2846 14.2846 14.8732 14.8732 14.9088 14.9088 19.5630 19.5630 19.5815 19.5815 21.2215 21.2215 k = 0.2424 0.4199 0.3876 ( 2096 PWs) bands (ev): 5.2872 5.2872 5.2887 5.2887 8.1287 8.1287 8.1314 8.1314 9.6048 9.6048 9.6083 9.6083 10.7369 10.7369 10.7504 10.7504 11.5682 11.5682 11.6174 11.6174 11.8012 11.8012 11.8424 11.8424 12.3552 12.3552 12.3890 12.3890 12.7093 12.7093 12.7252 12.7252 13.0230 13.0230 13.0758 13.0758 13.3046 13.3046 13.3149 13.3149 13.5191 13.5191 13.6011 13.6011 14.3148 14.3148 14.3385 14.3385 14.8972 14.8972 14.9328 14.9328 19.4820 19.4820 19.4999 19.4999 21.2136 21.2137 k = 0.2364 0.4094 0.3876 ( 2104 PWs) bands (ev): 5.2152 5.2152 5.2166 5.2166 8.1711 8.1711 8.1735 8.1735 9.6713 9.6713 9.6750 9.6750 10.7230 10.7230 10.7371 10.7371 11.5670 11.5670 11.6128 11.6128 11.7884 11.7884 11.8268 11.8268 12.3740 12.3740 12.4037 12.4037 12.7350 12.7350 12.7459 12.7459 13.0025 13.0025 13.0535 13.0535 13.3082 13.3082 13.3196 13.3196 13.5266 13.5266 13.6068 13.6068 14.3701 14.3701 14.3942 14.3942 14.9228 14.9228 14.9584 14.9584 19.4014 19.4014 19.4186 19.4186 21.2005 21.2007 k = 0.2303 0.3989 0.3876 ( 2104 PWs) bands (ev): 5.1420 5.1420 5.1434 5.1434 8.2167 8.2167 8.2188 8.2188 9.7360 9.7360 9.7398 9.7398 10.7087 10.7087 10.7234 10.7234 11.5660 11.5660 11.6085 11.6085 11.7754 11.7754 11.8112 11.8112 12.3942 12.3942 12.4200 12.4200 12.7613 12.7613 12.7670 12.7670 12.9840 12.9840 13.0324 13.0324 13.3133 13.3133 13.3255 13.3255 13.5343 13.5343 13.6129 13.6129 14.4275 14.4275 14.4517 14.4517 14.9503 14.9503 14.9858 14.9858 19.3215 19.3215 19.3379 19.3379 21.1824 21.1840 k = 0.2242 0.3884 0.3876 ( 2100 PWs) bands (ev): 5.0680 5.0680 5.0693 5.0693 8.2649 8.2649 8.2667 8.2667 9.7982 9.7982 9.8022 9.8022 10.6941 10.6941 10.7093 10.7093 11.5651 11.5651 11.6047 11.6047 11.7625 11.7625 11.7957 11.7957 12.4156 12.4156 12.4379 12.4379 12.7879 12.7879 12.7882 12.7882 12.9682 12.9682 13.0128 13.0128 13.3196 13.3196 13.3321 13.3321 13.5422 13.5422 13.6191 13.6191 14.4870 14.4870 14.5111 14.5111 14.9796 14.9796 15.0150 15.0150 19.2425 19.2425 19.2580 19.2580 21.1603 21.1614 k = 0.2182 0.3779 0.3876 ( 2104 PWs) bands (ev): 4.9937 4.9937 4.9948 4.9948 8.3155 8.3155 8.3170 8.3170 9.8574 9.8574 9.8616 9.8616 10.6792 10.6792 10.6948 10.6948 11.5643 11.5643 11.6012 11.6012 11.7495 11.7495 11.7802 11.7802 12.4380 12.4380 12.4571 12.4571 12.8078 12.8078 12.8154 12.8154 12.9559 12.9559 12.9951 12.9951 13.3268 13.3268 13.3395 13.3395 13.5502 13.5502 13.6254 13.6254 14.5487 14.5487 14.5726 14.5726 15.0108 15.0108 15.0461 15.0461 19.1644 19.1644 19.1792 19.1792 21.1109 21.1110 k = 0.2121 0.3674 0.3876 ( 2098 PWs) bands (ev): 4.9192 4.9192 4.9203 4.9203 8.3680 8.3680 8.3693 8.3693 9.9131 9.9131 9.9177 9.9177 10.6645 10.6645 10.6804 10.6804 11.5639 11.5639 11.5983 11.5983 11.7368 11.7368 11.7651 11.7651 12.4615 12.4615 12.4776 12.4776 12.8252 12.8252 12.8425 12.8425 12.9489 12.9489 12.9800 12.9800 13.3349 13.3349 13.3475 13.3475 13.5584 13.5584 13.6320 13.6320 14.6127 14.6127 14.6363 14.6363 15.0442 15.0442 15.0793 15.0793 19.0876 19.0876 19.1015 19.1015 21.0234 21.0234 k = 0.2061 0.3569 0.3876 ( 2094 PWs) bands (ev): 4.8450 4.8450 4.8460 4.8460 8.4223 8.4223 8.4234 8.4234 9.9648 9.9648 9.9697 9.9697 10.6500 10.6500 10.6660 10.6660 11.5637 11.5637 11.5960 11.5960 11.7243 11.7243 11.7504 11.7504 12.4858 12.4858 12.4993 12.4993 12.8386 12.8386 12.8688 12.8688 12.9485 12.9485 12.9680 12.9680 13.3439 13.3439 13.3561 13.3561 13.5666 13.5666 13.6386 13.6386 14.6793 14.6793 14.7023 14.7023 15.0797 15.0797 15.1148 15.1148 19.0121 19.0121 19.0251 19.0251 20.9222 20.9222 k = 0.2000 0.3464 0.3876 ( 2102 PWs) bands (ev): 4.7713 4.7713 4.7722 4.7722 8.4780 8.4780 8.4788 8.4788 10.0119 10.0119 10.0172 10.0172 10.6359 10.6359 10.6520 10.6520 11.5637 11.5637 11.5941 11.5941 11.7119 11.7119 11.7359 11.7359 12.5106 12.5106 12.5217 12.5217 12.8471 12.8471 12.8928 12.8928 12.9557 12.9557 12.9606 12.9606 13.3535 13.3535 13.3652 13.3652 13.5748 13.5748 13.6452 13.6452 14.7485 14.7485 14.7708 14.7708 15.1177 15.1177 15.1527 15.1527 18.9380 18.9380 18.9501 18.9501 20.8193 20.8193 k = 0.1939 0.3359 0.3876 ( 2098 PWs) bands (ev): 4.6983 4.6983 4.6991 4.6991 8.5349 8.5349 8.5355 8.5355 10.0541 10.0541 10.0596 10.0596 10.6228 10.6228 10.6387 10.6387 11.5643 11.5643 11.5930 11.5930 11.6998 11.6998 11.7218 11.7218 12.5362 12.5362 12.5452 12.5452 12.8520 12.8520 12.9110 12.9110 12.9616 12.9616 12.9695 12.9695 13.3639 13.3639 13.3748 13.3748 13.5830 13.5830 13.6518 13.6518 14.8207 14.8207 14.8420 14.8420 15.1582 15.1582 15.1932 15.1932 18.8655 18.8655 18.8767 18.8767 20.7171 20.7171 k = 0.1879 0.3254 0.3876 ( 2098 PWs) bands (ev): 4.6262 4.6262 4.6270 4.6270 8.5927 8.5927 8.5931 8.5931 10.0908 10.0908 10.0965 10.0965 10.6107 10.6107 10.6263 10.6263 11.5652 11.5652 11.5924 11.5924 11.6879 11.6879 11.7081 11.7081 12.5622 12.5622 12.5695 12.5695 12.8553 12.8553 12.9193 12.9193 12.9747 12.9747 12.9874 12.9874 13.3749 13.3749 13.3849 13.3849 13.5911 13.5911 13.6583 13.6583 14.8958 14.8958 14.9160 14.9160 15.2014 15.2014 15.2366 15.2366 18.7947 18.7947 18.8049 18.8049 20.6163 20.6163 k = 0.1818 0.3149 0.3876 ( 2102 PWs) bands (ev): 4.5553 4.5553 4.5560 4.5560 8.6512 8.6512 8.6515 8.6515 10.1217 10.1217 10.1275 10.1275 10.6000 10.6000 10.6151 10.6151 11.5665 11.5665 11.5923 11.5923 11.6764 11.6764 11.6948 11.6948 12.5887 12.5887 12.5944 12.5944 12.8590 12.8590 12.9220 12.9220 12.9959 12.9959 13.0076 13.0076 13.3865 13.3865 13.3955 13.3955 13.5991 13.5991 13.6646 13.6646 14.9742 14.9742 14.9927 14.9927 15.2474 15.2474 15.2829 15.2829 18.7256 18.7256 18.7349 18.7349 20.5173 20.5173 k = 0.1758 0.3044 0.3876 ( 2102 PWs) bands (ev): 4.4857 4.4857 4.4863 4.4863 8.7102 8.7102 8.7103 8.7103 10.1465 10.1465 10.1521 10.1521 10.5910 10.5910 10.6052 10.6052 11.5681 11.5681 11.5925 11.5925 11.6653 11.6653 11.6820 11.6820 12.6157 12.6157 12.6201 12.6201 12.8644 12.8644 12.9244 12.9244 13.0196 13.0196 13.0289 13.0289 13.3987 13.3987 13.4066 13.4066 13.6069 13.6069 13.6708 13.6708 15.0558 15.0558 15.0723 15.0723 15.2964 15.2964 15.3326 15.3326 18.6584 18.6584 18.6667 18.6667 20.4202 20.4202 k = 0.1697 0.2939 0.3876 ( 2102 PWs) bands (ev): 4.4175 4.4175 4.4181 4.4181 8.7694 8.7694 8.7695 8.7695 10.1653 10.1653 10.1705 10.1705 10.5839 10.5839 10.5970 10.5970 11.5697 11.5697 11.5927 11.5927 11.6544 11.6544 11.6696 11.6696 12.6430 12.6430 12.6463 12.6463 12.8719 12.8719 12.9285 12.9285 13.0437 13.0437 13.0504 13.0504 13.4113 13.4113 13.4180 13.4180 13.6146 13.6146 13.6768 13.6768 15.1410 15.1410 15.1548 15.1548 15.3485 15.3485 15.3859 15.3859 18.5932 18.5932 18.6004 18.6004 20.3253 20.3253 k = 0.1636 0.2834 0.3876 ( 2098 PWs) bands (ev): 4.3509 4.3509 4.3514 4.3514 8.8287 8.8287 8.8290 8.8290 10.1780 10.1780 10.1827 10.1827 10.5785 10.5785 10.5904 10.5904 11.5714 11.5714 11.5930 11.5930 11.6440 11.6440 11.6576 11.6576 12.6708 12.6708 12.6731 12.6731 12.8820 12.8820 12.9350 12.9350 13.0674 13.0674 13.0716 13.0716 13.4245 13.4245 13.4298 13.4298 13.6221 13.6221 13.6825 13.6825 15.2299 15.2299 15.2400 15.2400 15.4039 15.4039 15.4435 15.4435 18.5300 18.5300 18.5362 18.5362 20.2326 20.2327 k = 0.1576 0.2729 0.3876 ( 2098 PWs) bands (ev): 4.2860 4.2860 4.2865 4.2865 8.8879 8.8879 8.8883 8.8883 10.1852 10.1852 10.1891 10.1891 10.5749 10.5749 10.5853 10.5853 11.5727 11.5727 11.5928 11.5928 11.6339 11.6339 11.6460 11.6460 12.6988 12.6988 12.7003 12.7003 12.8946 12.8946 12.9439 12.9439 13.0903 13.0903 13.0922 13.0922 13.4380 13.4380 13.4420 13.4420 13.6292 13.6292 13.6877 13.6877 15.3223 15.3223 15.3274 15.3274 15.4627 15.4627 15.5058 15.5058 18.4689 18.4689 18.4740 18.4740 20.1422 20.1422 k = 0.1515 0.2624 0.3876 ( 2098 PWs) bands (ev): 4.2229 4.2229 4.2234 4.2234 8.9469 8.9469 8.9475 8.9475 10.1872 10.1872 10.1903 10.1903 10.5725 10.5725 10.5814 10.5814 11.5736 11.5736 11.5919 11.5919 11.6243 11.6243 11.6348 11.6348 12.7271 12.7271 12.7279 12.7279 12.9097 12.9097 12.9551 12.9551 13.1121 13.1121 13.1123 13.1123 13.4518 13.4518 13.4544 13.4544 13.6360 13.6360 13.6926 13.6926 15.4163 15.4163 15.4184 15.4184 15.5252 15.5252 15.5737 15.5737 18.4101 18.4101 18.4141 18.4141 20.0543 20.0543 k = 0.1455 0.2519 0.3876 ( 2102 PWs) bands (ev): 4.1618 4.1618 4.1621 4.1621 9.0055 9.0055 9.0062 9.0062 10.1848 10.1848 10.1870 10.1870 10.5710 10.5710 10.5784 10.5784 11.5739 11.5739 11.5901 11.5901 11.6153 11.6153 11.6240 11.6240 12.7555 12.7555 12.7558 12.7558 12.9270 12.9270 12.9686 12.9686 13.1310 13.1310 13.1333 13.1333 13.4657 13.4657 13.4670 13.4670 13.6423 13.6423 13.6969 13.6969 15.5057 15.5057 15.5176 15.5176 15.5919 15.5919 15.6486 15.6486 18.3536 18.3536 18.3565 18.3565 19.9688 19.9688 k = 0.1394 0.2414 0.3876 ( 2098 PWs) bands (ev): 4.1026 4.1026 4.1029 4.1029 9.0637 9.0637 9.0645 9.0645 10.1788 10.1788 10.1802 10.1802 10.5701 10.5701 10.5761 10.5761 11.5734 11.5734 11.5871 11.5871 11.6072 11.6072 11.6137 11.6137 12.7840 12.7840 12.7842 12.7842 12.9464 12.9464 12.9842 12.9842 13.1492 13.1492 13.1533 13.1533 13.4796 13.4796 13.4798 13.4798 13.6482 13.6482 13.7008 13.7008 15.5942 15.5942 15.6183 15.6183 15.6646 15.6646 15.7318 15.7318 18.2996 18.2996 18.3013 18.3013 19.8859 19.8859 k = 0.1333 0.2309 0.3876 ( 2098 PWs) bands (ev): 4.0455 4.0455 4.0458 4.0458 9.1212 9.1212 9.1221 9.1221 10.1698 10.1698 10.1704 10.1704 10.5690 10.5690 10.5738 10.5738 11.5721 11.5721 11.5825 11.5825 11.6001 11.6001 11.6038 11.6038 12.8121 12.8121 12.8129 12.8129 12.9677 12.9677 13.0016 13.0016 13.1664 13.1664 13.1723 13.1723 13.4923 13.4923 13.4938 13.4938 13.6536 13.6536 13.7040 13.7040 15.6812 15.6812 15.7132 15.7132 15.7506 15.7506 15.8240 15.8240 18.2481 18.2481 18.2485 18.2485 19.8057 19.8058 k = 0.1273 0.2204 0.3876 ( 2102 PWs) bands (ev): 3.9905 3.9905 3.9908 3.9908 9.1780 9.1780 9.1790 9.1790 10.1585 10.1585 10.1585 10.1585 10.5677 10.5677 10.5714 10.5714 11.5697 11.5697 11.5764 11.5764 11.5938 11.5938 11.5944 11.5944 12.8400 12.8400 12.8412 12.8412 12.9905 12.9905 13.0205 13.0205 13.1827 13.1827 13.1903 13.1903 13.5048 13.5048 13.5075 13.5075 13.6584 13.6584 13.7065 13.7065 15.7669 15.7669 15.7967 15.7967 15.8553 15.8553 15.9250 15.9250 18.1984 18.1984 18.1993 18.1993 19.7283 19.7284 k = 0.1212 0.2099 0.3876 ( 2106 PWs) bands (ev): 3.9377 3.9377 3.9380 3.9380 9.2338 9.2338 9.2349 9.2349 10.1450 10.1450 10.1455 10.1455 10.5658 10.5658 10.5686 10.5686 11.5662 11.5662 11.5695 11.5695 11.5857 11.5857 11.5880 11.5880 12.8675 12.8675 12.8689 12.8689 13.0147 13.0147 13.0408 13.0408 13.1984 13.1984 13.2075 13.2075 13.5171 13.5171 13.5209 13.5209 13.6626 13.6626 13.7084 13.7084 15.8522 15.8522 15.8779 15.8779 15.9694 15.9694 16.0335 16.0335 18.1511 18.1511 18.1533 18.1533 19.6538 19.6538 k = 0.1152 0.1994 0.3876 ( 2104 PWs) bands (ev): 3.8872 3.8872 3.8874 3.8874 9.2887 9.2887 9.2898 9.2898 10.1305 10.1305 10.1314 10.1314 10.5632 10.5632 10.5652 10.5652 11.5617 11.5617 11.5620 11.5620 11.5777 11.5777 11.5823 11.5823 12.8943 12.8943 12.8960 12.8960 13.0402 13.0402 13.0623 13.0623 13.2135 13.2135 13.2242 13.2242 13.5289 13.5289 13.5338 13.5338 13.6662 13.6662 13.7096 13.7096 15.9382 15.9382 15.9607 15.9607 16.0888 16.0888 16.1484 16.1484 18.1068 18.1068 18.1104 18.1104 19.5823 19.5823 k = 0.1091 0.1890 0.3876 ( 2104 PWs) bands (ev): 3.8391 3.8391 3.8392 3.8392 9.3423 9.3423 9.3435 9.3435 10.1152 10.1152 10.1164 10.1164 10.5598 10.5598 10.5612 10.5612 11.5546 11.5546 11.5560 11.5560 11.5706 11.5706 11.5764 11.5764 12.9202 12.9202 12.9219 12.9219 13.0667 13.0667 13.0849 13.0849 13.2281 13.2281 13.2402 13.2402 13.5403 13.5403 13.5462 13.5462 13.6691 13.6691 13.7101 13.7101 16.0255 16.0255 16.0459 16.0459 16.2123 16.2123 16.2687 16.2687 18.0656 18.0656 18.0707 18.0707 19.5139 19.5139 k = 0.1030 0.1785 0.3876 ( 2092 PWs) bands (ev): 3.7933 3.7933 3.7934 3.7934 9.3948 9.3948 9.3961 9.3961 10.0998 10.0998 10.1011 10.1011 10.5556 10.5556 10.5566 10.5566 11.5473 11.5473 11.5497 11.5497 11.5641 11.5641 11.5702 11.5702 12.9448 12.9448 12.9464 12.9464 13.0942 13.0942 13.1084 13.1084 13.2426 13.2426 13.2561 13.2561 13.5511 13.5511 13.5578 13.5578 13.6714 13.6714 13.7099 13.7099 16.1144 16.1144 16.1335 16.1335 16.3394 16.3394 16.3936 16.3936 18.0277 18.0277 18.0345 18.0345 19.4487 19.4487 k = 0.0970 0.1680 0.3876 ( 2096 PWs) bands (ev): 3.7499 3.7499 3.7500 3.7500 9.4458 9.4458 9.4470 9.4470 10.0840 10.0840 10.0856 10.0856 10.5505 10.5505 10.5511 10.5511 11.5401 11.5401 11.5428 11.5428 11.5577 11.5577 11.5637 11.5637 12.9677 12.9677 12.9693 12.9693 13.1220 13.1220 13.1324 13.1324 13.2569 13.2569 13.2716 13.2716 13.5610 13.5610 13.5684 13.5684 13.6729 13.6729 13.7087 13.7087 16.2049 16.2049 16.2232 16.2232 16.4698 16.4698 16.5224 16.5224 17.9936 17.9936 18.0022 18.0022 19.3869 19.3869 k = 0.0909 0.1575 0.3876 ( 2092 PWs) bands (ev): 3.7089 3.7089 3.7090 3.7090 9.4953 9.4953 9.4966 9.4966 10.0686 10.0686 10.0702 10.0702 10.5447 10.5447 10.5450 10.5450 11.5331 11.5331 11.5358 11.5358 11.5516 11.5516 11.5570 11.5570 12.9890 12.9890 12.9903 12.9903 13.1502 13.1502 13.1569 13.1569 13.2714 13.2714 13.2871 13.2871 13.5702 13.5702 13.5781 13.5781 13.6737 13.6737 13.7069 13.7069 16.2968 16.2968 16.3144 16.3144 16.6030 16.6030 16.6547 16.6547 17.9635 17.9635 17.9741 17.9741 19.3285 19.3285 k = 0.0848 0.1470 0.3876 ( 2092 PWs) bands (ev): 3.6705 3.6705 3.6706 3.6706 9.5432 9.5432 9.5444 9.5444 10.0535 10.0535 10.0551 10.0551 10.5381 10.5381 10.5382 10.5382 11.5264 11.5264 11.5289 11.5289 11.5454 11.5454 11.5501 11.5501 13.0083 13.0083 13.0094 13.0094 13.1783 13.1783 13.1816 13.1816 13.2862 13.2862 13.3026 13.3026 13.5784 13.5784 13.5867 13.5867 13.6738 13.6738 13.7044 13.7044 16.3896 16.3896 16.4066 16.4066 16.7387 16.7387 16.7898 16.7898 17.9380 17.9380 17.9508 17.9508 19.2737 19.2737 k = 0.0788 0.1365 0.3876 ( 2092 PWs) bands (ev): 3.6345 3.6345 3.6346 3.6346 9.5892 9.5892 9.5904 9.5904 10.0389 10.0389 10.0405 10.0405 10.5307 10.5307 10.5307 10.5307 11.5200 11.5200 11.5222 11.5222 11.5393 11.5393 11.5433 11.5433 13.0256 13.0256 13.0266 13.0266 13.2061 13.2061 13.2064 13.2064 13.3014 13.3014 13.3183 13.3183 13.5856 13.5856 13.5941 13.5941 13.6732 13.6732 13.7010 13.7010 16.4825 16.4825 16.4988 16.4988 16.8764 16.8764 16.9272 16.9272 17.9177 17.9177 17.9329 17.9329 19.2227 19.2228 k = 0.0727 0.1260 0.3876 ( 2092 PWs) bands (ev): 3.6012 3.6012 3.6012 3.6012 9.6333 9.6333 9.6345 9.6345 10.0250 10.0250 10.0266 10.0266 10.5225 10.5225 10.5226 10.5226 11.5139 11.5139 11.5158 11.5158 11.5332 11.5332 11.5365 11.5365 13.0410 13.0410 13.0417 13.0417 13.2309 13.2309 13.2331 13.2331 13.3172 13.3172 13.3342 13.3342 13.5918 13.5918 13.6002 13.6002 13.6721 13.6721 13.6971 13.6971 16.5746 16.5746 16.5901 16.5901 17.0155 17.0155 17.0664 17.0664 17.9033 17.9033 17.9212 17.9212 19.1757 19.1757 k = 0.0667 0.1155 0.3876 ( 2088 PWs) bands (ev): 3.5704 3.5704 3.5704 3.5704 9.6753 9.6753 9.6764 9.6764 10.0119 10.0119 10.0134 10.0134 10.5139 10.5139 10.5140 10.5140 11.5083 11.5083 11.5098 11.5098 11.5275 11.5275 11.5301 11.5301 13.0544 13.0544 13.0550 13.0550 13.2549 13.2549 13.2590 13.2590 13.3336 13.3336 13.3503 13.3503 13.5969 13.5969 13.6049 13.6049 13.6704 13.6704 13.6925 13.6925 16.6648 16.6648 16.6792 16.6792 17.1554 17.1554 17.2066 17.2066 17.8959 17.8959 17.9168 17.9168 19.1330 19.1330 k = 0.0606 0.1050 0.3876 ( 2092 PWs) bands (ev): 3.5422 3.5422 3.5422 3.5422 9.7150 9.7150 9.7161 9.7161 9.9997 9.9997 10.0011 10.0011 10.5049 10.5049 10.5051 10.5051 11.5029 11.5029 11.5040 11.5040 11.5219 11.5219 11.5239 11.5239 13.0660 13.0660 13.0664 13.0664 13.2780 13.2780 13.2832 13.2832 13.3507 13.3507 13.3664 13.3664 13.6008 13.6008 13.6083 13.6083 13.6681 13.6681 13.6872 13.6872 16.7515 16.7515 16.7644 16.7644 17.2953 17.2953 17.3470 17.3470 17.8965 17.8965 17.9209 17.9209 19.0947 19.0947 k = 0.0545 0.0945 0.3876 ( 2092 PWs) bands (ev): 3.5166 3.5166 3.5166 3.5166 9.7522 9.7522 9.7533 9.7533 9.9885 9.9885 9.9898 9.9898 10.4956 10.4956 10.4958 10.4958 11.4978 11.4978 11.4987 11.4987 11.5166 11.5166 11.5181 11.5181 13.0758 13.0758 13.0762 13.0762 13.3002 13.3002 13.3059 13.3059 13.3683 13.3683 13.3824 13.3824 13.6036 13.6036 13.6103 13.6103 13.6655 13.6655 13.6815 13.6815 16.8329 16.8329 16.8439 16.8439 17.4344 17.4344 17.4865 17.4865 17.9066 17.9066 17.9345 17.9345 19.0614 19.0614 k = 0.0485 0.0840 0.3876 ( 2086 PWs) bands (ev): 3.4936 3.4936 3.4937 3.4937 9.7867 9.7867 9.7877 9.7877 9.9786 9.9786 9.9797 9.9797 10.4862 10.4862 10.4864 10.4864 11.4933 11.4933 11.4939 11.4939 11.5118 11.5118 11.5129 11.5129 13.0842 13.0842 13.0844 13.0844 13.3212 13.3212 13.3266 13.3266 13.3863 13.3863 13.3984 13.3984 13.6054 13.6054 13.6111 13.6111 13.6626 13.6626 13.6755 13.6755 16.9071 16.9071 16.9160 16.9160 17.5714 17.5714 17.6240 17.6240 17.9273 17.9273 17.9589 17.9589 19.0335 19.0335 k = 0.0424 0.0735 0.3876 ( 2086 PWs) bands (ev): 3.4734 3.4734 3.4734 3.4734 9.8180 9.8180 9.8189 9.8189 9.9698 9.9698 9.9709 9.9709 10.4768 10.4768 10.4769 10.4769 11.4891 11.4891 11.4896 11.4896 11.5075 11.5075 11.5083 11.5083 13.0911 13.0911 13.0912 13.0912 13.3407 13.3407 13.3453 13.3453 13.4041 13.4041 13.4138 13.4138 13.6060 13.6060 13.6105 13.6105 13.6592 13.6592 13.6692 13.6692 16.9723 16.9723 16.9789 16.9789 17.7048 17.7048 17.7575 17.7575 17.9595 17.9595 17.9945 17.9945 19.0119 19.0119 k = 0.0364 0.0630 0.3876 ( 2084 PWs) bands (ev): 3.4558 3.4558 3.4558 3.4558 9.8460 9.8460 9.8467 9.8467 9.9625 9.9625 9.9634 9.9634 10.4676 10.4676 10.4677 10.4677 11.4855 11.4855 11.4858 11.4858 11.5038 11.5038 11.5043 11.5043 13.0967 13.0967 13.0969 13.0969 13.3586 13.3586 13.3622 13.3622 13.4214 13.4214 13.4286 13.4286 13.6057 13.6057 13.6090 13.6090 13.6556 13.6556 13.6628 13.6628 17.0272 17.0272 17.0318 17.0318 17.8329 17.8329 17.8849 17.8849 18.0033 18.0033 18.0407 18.0407 18.9977 18.9977 k = 0.0303 0.0525 0.3876 ( 2080 PWs) bands (ev): 3.4409 3.4409 3.4409 3.4409 9.8699 9.8699 9.8706 9.8706 9.9569 9.9569 9.9576 9.9576 10.4591 10.4591 10.4592 10.4592 11.4822 11.4822 11.4825 11.4825 11.5005 11.5005 11.5008 11.5008 13.1014 13.1014 13.1014 13.1014 13.3745 13.3745 13.3770 13.3770 13.4374 13.4374 13.4423 13.4423 13.6047 13.6047 13.6068 13.6068 13.6520 13.6520 13.6566 13.6566 17.0715 17.0715 17.0742 17.0742 17.9532 17.9532 18.0028 18.0028 18.0575 18.0575 18.0956 18.0956 18.9924 18.9924 k = 0.0242 0.0420 0.3876 ( 2072 PWs) bands (ev): 3.4286 3.4286 3.4287 3.4287 9.8893 9.8893 9.8898 9.8898 9.9534 9.9534 9.9539 9.9539 10.4515 10.4515 10.4516 10.4516 11.4796 11.4796 11.4797 11.4797 11.4978 11.4978 11.4980 11.4980 13.1049 13.1049 13.1050 13.1050 13.3883 13.3883 13.3897 13.3897 13.4517 13.4517 13.4545 13.4545 13.6032 13.6032 13.6044 13.6044 13.6483 13.6483 13.6510 13.6510 17.1054 17.1054 17.1068 17.1068 18.0626 18.0626 18.1056 18.1056 18.1208 18.1208 18.1554 18.1554 18.9980 18.9980 k = 0.0182 0.0315 0.3876 ( 2072 PWs) bands (ev): 3.4191 3.4191 3.4192 3.4192 9.9032 9.9032 9.9035 9.9035 9.9523 9.9523 9.9526 9.9526 10.4451 10.4451 10.4451 10.4451 11.4774 11.4774 11.4775 11.4775 11.4956 11.4956 11.4957 11.4957 13.1076 13.1076 13.1076 13.1076 13.3994 13.3994 13.4000 13.4000 13.4634 13.4634 13.4647 13.4647 13.6014 13.6014 13.6019 13.6019 13.6448 13.6448 13.6460 13.6460 17.1299 17.1299 17.1305 17.1305 18.1569 18.1569 18.1786 18.1786 18.1976 18.1976 18.2141 18.2141 19.0165 19.0167 k = 0.0121 0.0210 0.3876 ( 2072 PWs) bands (ev): 3.4123 3.4123 3.4124 3.4124 9.9115 9.9115 9.9116 9.9116 9.9535 9.9535 9.9536 9.9536 10.4402 10.4402 10.4402 10.4402 11.4758 11.4758 11.4759 11.4759 11.4941 11.4941 11.4941 11.4941 13.1094 13.1094 13.1095 13.1095 13.4076 13.4076 13.4078 13.4078 13.4722 13.4722 13.4726 13.4726 13.5996 13.5996 13.5998 13.5998 13.6418 13.6418 13.6422 13.6422 17.1463 17.1463 17.1465 17.1465 18.2313 18.2313 18.2374 18.2374 18.2604 18.2604 18.2643 18.2643 19.0477 19.0478 k = 0.0061 0.0105 0.3876 ( 2068 PWs) bands (ev): 3.4083 3.4083 3.4083 3.4083 9.9153 9.9153 9.9153 9.9153 9.9556 9.9556 9.9556 9.9556 10.4371 10.4371 10.4371 10.4371 11.4750 11.4750 11.4750 11.4750 11.4932 11.4932 11.4933 11.4933 13.1105 13.1105 13.1105 13.1105 13.4127 13.4127 13.4127 13.4127 13.4776 13.4776 13.4776 13.4776 13.5984 13.5984 13.5985 13.5985 13.6397 13.6397 13.6398 13.6398 17.1556 17.1556 17.1557 17.1557 18.2810 18.2810 18.2816 18.2816 18.2967 18.2967 18.2969 18.2969 19.0840 19.0848 k = 0.0000 0.0000 0.3876 ( 2060 PWs) bands (ev): 3.4069 3.4069 3.4070 3.4070 9.9163 9.9163 9.9163 9.9163 9.9565 9.9565 9.9566 9.9566 10.4361 10.4361 10.4361 10.4361 11.4747 11.4747 11.4747 11.4747 11.4930 11.4930 11.4930 11.4930 13.1110 13.1110 13.1110 13.1110 13.4145 13.4145 13.4145 13.4145 13.4795 13.4795 13.4795 13.4795 13.5980 13.5980 13.5980 13.5980 13.6390 13.6390 13.6390 13.6390 17.1586 17.1586 17.1587 17.1587 18.3009 18.3009 18.3009 18.3009 18.3058 18.3058 18.3058 18.3058 19.1023 19.1024 k = 0.5000 0.2887 0.3876 ( 2120 PWs) bands (ev): 5.5446 5.5446 5.5446 5.5446 7.3636 7.3636 7.3636 7.3636 10.3971 10.3971 10.3971 10.3971 10.8340 10.8340 10.8340 10.8340 11.5216 11.5216 11.5216 11.5216 11.7424 11.7424 11.7424 11.7424 12.3994 12.3994 12.3994 12.3994 12.5180 12.5180 12.5180 12.5180 13.1128 13.1128 13.1128 13.1128 13.1721 13.1721 13.1722 13.1722 13.6149 13.6149 13.6150 13.6150 13.9636 13.9636 13.9636 13.9636 15.8907 15.8907 15.8907 15.8907 17.9713 17.9713 17.9714 17.9714 20.5588 20.5588 k = 0.5000 0.2887 0.3755 ( 2118 PWs) bands (ev): 5.5062 5.5062 5.5801 5.5801 7.3175 7.3175 7.4156 7.4156 10.3564 10.3564 10.4381 10.4381 10.8343 10.8343 10.8346 10.8346 11.4950 11.4950 11.5477 11.5477 11.7188 11.7188 11.7670 11.7670 12.3968 12.3968 12.4006 12.4006 12.5051 12.5051 12.5300 12.5300 13.0978 13.0978 13.1253 13.1253 13.1590 13.1590 13.1884 13.1884 13.6145 13.6145 13.6151 13.6151 13.9628 13.9628 13.9652 13.9652 15.8009 15.8009 15.9821 15.9821 17.9455 17.9455 17.9963 17.9963 20.3932 20.3932 k = 0.5000 0.2887 0.3634 ( 2120 PWs) bands (ev): 5.4654 5.4654 5.6122 5.6122 7.2777 7.2777 7.4730 7.4730 10.3166 10.3166 10.4794 10.4794 10.8352 10.8352 10.8360 10.8360 11.4681 11.4681 11.5732 11.5732 11.6957 11.6957 11.7919 11.7919 12.3923 12.3923 12.4008 12.4008 12.4924 12.4924 12.5405 12.5405 13.0798 13.0798 13.1361 13.1361 13.1497 13.1497 13.2064 13.2064 13.6137 13.6137 13.6146 13.6146 13.9626 13.9626 13.9677 13.9677 15.7128 15.7128 16.0749 16.0749 17.9187 17.9187 18.0203 18.0203 20.2111 20.2111 k = 0.5000 0.2887 0.3513 ( 2120 PWs) bands (ev): 5.4230 5.4230 5.6402 5.6402 7.2448 7.2448 7.5351 7.5351 10.2777 10.2777 10.5207 10.5207 10.8369 10.8369 10.8382 10.8382 11.4407 11.4407 11.5979 11.5979 11.6737 11.6737 11.8174 11.8174 12.3849 12.3849 12.4000 12.4000 12.4809 12.4809 12.5491 12.5491 13.0594 13.0594 13.1432 13.1432 13.1470 13.1470 13.2248 13.2248 13.6125 13.6125 13.6136 13.6136 13.9629 13.9629 13.9714 13.9714 15.6264 15.6264 16.1693 16.1693 17.8911 17.8911 18.0429 18.0429 20.0255 20.0255 k = 0.5000 0.2887 0.3392 ( 2116 PWs) bands (ev): 5.3793 5.3793 5.6636 5.6636 7.2193 7.2193 7.6016 7.6016 10.2401 10.2401 10.5616 10.5616 10.8394 10.8394 10.8412 10.8412 11.4130 11.4130 11.6205 11.6205 11.6540 11.6540 11.8433 11.8433 12.3738 12.3738 12.3986 12.3986 12.4720 12.4720 12.5557 12.5557 13.0378 13.0378 13.1409 13.1409 13.1566 13.1566 13.2426 13.2426 13.6112 13.6112 13.6121 13.6121 13.9635 13.9635 13.9763 13.9763 15.5418 15.5418 16.2652 16.2652 17.8623 17.8623 18.0635 18.0635 19.8411 19.8411 k = 0.5000 0.2887 0.3271 ( 2116 PWs) bands (ev): 5.3348 5.3348 5.6819 5.6819 7.2015 7.2015 7.6720 7.6720 10.2039 10.2039 10.6019 10.6019 10.8426 10.8426 10.8450 10.8450 11.3849 11.3849 11.6244 11.6244 11.6534 11.6534 11.8695 11.8695 12.3586 12.3586 12.3962 12.3962 12.4661 12.4661 12.5597 12.5597 13.0156 13.0156 13.1406 13.1406 13.1665 13.1665 13.2594 13.2594 13.6095 13.6095 13.6102 13.6102 13.9644 13.9644 13.9825 13.9825 15.4591 15.4591 16.3624 16.3624 17.8319 17.8319 18.0814 18.0814 19.6601 19.6601 k = 0.5000 0.2887 0.3150 ( 2112 PWs) bands (ev): 5.2900 5.2900 5.6948 5.6948 7.1916 7.1916 7.7459 7.7459 10.1694 10.1694 10.6413 10.6413 10.8465 10.8465 10.8497 10.8497 11.3566 11.3566 11.6071 11.6071 11.6742 11.6742 11.8960 11.8960 12.3396 12.3396 12.3931 12.3931 12.4634 12.4634 12.5614 12.5614 12.9936 12.9936 13.1423 13.1423 13.1764 13.1764 13.2745 13.2745 13.6070 13.6070 13.6084 13.6084 13.9653 13.9653 13.9902 13.9902 15.3782 15.3782 16.4608 16.4608 17.7996 17.7996 18.0955 18.0955 19.4843 19.4843 k = 0.5000 0.2887 0.3028 ( 2108 PWs) bands (ev): 5.2451 5.2451 5.7023 5.7023 7.1895 7.1895 7.8230 7.8230 10.1367 10.1367 10.6792 10.6792 10.8512 10.8512 10.8552 10.8552 11.3278 11.3278 11.5885 11.5885 11.6967 11.6967 11.9226 11.9226 12.3176 12.3176 12.3892 12.3892 12.4630 12.4630 12.5608 12.5608 12.9722 12.9722 13.1458 13.1458 13.1865 13.1865 13.2879 13.2879 13.6039 13.6039 13.6068 13.6068 13.9661 13.9661 13.9995 13.9995 15.2994 15.2994 16.5605 16.5605 17.7645 17.7645 18.1044 18.1044 19.3149 19.3149 k = 0.5000 0.2887 0.2907 ( 2104 PWs) bands (ev): 5.2005 5.2005 5.7044 5.7044 7.1948 7.1948 7.9028 7.9028 10.1062 10.1062 10.7153 10.7153 10.8565 10.8565 10.8616 10.8616 11.2987 11.2987 11.5705 11.5705 11.7191 11.7191 11.9493 11.9493 12.2933 12.2933 12.3844 12.3844 12.4646 12.4646 12.5578 12.5578 12.9519 12.9519 13.1507 13.1507 13.1965 13.1965 13.2991 13.2991 13.6003 13.6003 13.6054 13.6054 13.9669 13.9669 14.0102 14.0102 15.2225 15.2225 16.6612 16.6612 17.7258 17.7258 18.1062 18.1062 19.1534 19.1534 k = 0.5000 0.2887 0.2786 ( 2104 PWs) bands (ev): 5.1564 5.1564 5.7014 5.7014 7.2072 7.2072 7.9851 7.9851 10.0780 10.0780 10.7492 10.7492 10.8625 10.8625 10.8690 10.8690 11.2691 11.2691 11.5533 11.5533 11.7411 11.7411 11.9759 11.9759 12.2674 12.2674 12.3787 12.3787 12.4676 12.4676 12.5528 12.5528 12.9328 12.9328 13.1566 13.1566 13.2064 13.2064 13.3082 13.3082 13.5963 13.5963 13.6041 13.6041 13.9673 13.9673 14.0224 14.0224 15.1477 15.1477 16.7629 16.7629 17.6824 17.6824 18.0990 18.0990 19.0012 19.0012 k = 0.5000 0.2887 0.2665 ( 2104 PWs) bands (ev): 5.1130 5.1130 5.6939 5.6939 7.2260 7.2260 8.0697 8.0697 10.0523 10.0523 10.7802 10.7802 10.8690 10.8690 10.8776 10.8776 11.2390 11.2390 11.5371 11.5371 11.7627 11.7627 12.0022 12.0022 12.2405 12.2405 12.3718 12.3718 12.4718 12.4718 12.5462 12.5462 12.9153 12.9153 13.1633 13.1633 13.2161 13.2161 13.3150 13.3150 13.5919 13.5919 13.6031 13.6031 13.9673 13.9673 14.0359 14.0359 15.0752 15.0752 16.8655 16.8655 17.6333 17.6333 18.0807 18.0807 18.8598 18.8598 k = 0.5000 0.2887 0.2544 ( 2104 PWs) bands (ev): 5.0706 5.0706 5.6823 5.6823 7.2502 7.2502 8.1561 8.1561 10.0294 10.0294 10.8075 10.8075 10.8760 10.8760 10.8875 10.8875 11.2085 11.2085 11.5221 11.5221 11.7842 11.7842 12.0279 12.0279 12.2130 12.2130 12.3638 12.3638 12.4769 12.4769 12.5383 12.5383 12.8997 12.8997 13.1705 13.1705 13.2255 13.2255 13.3197 13.3197 13.5874 13.5874 13.6023 13.6023 13.9670 13.9670 14.0507 14.0507 15.0048 15.0048 16.9688 16.9688 17.5772 17.5772 18.0496 18.0496 18.7308 18.7308 k = 0.5000 0.2887 0.2423 ( 2108 PWs) bands (ev): 5.0294 5.0294 5.6675 5.6675 7.2791 7.2791 8.2442 8.2442 10.0094 10.0094 10.8307 10.8307 10.8835 10.8835 10.8987 10.8987 11.1773 11.1773 11.5081 11.5081 11.8054 11.8054 12.0521 12.0521 12.1860 12.1860 12.3549 12.3549 12.4824 12.4824 12.5296 12.5296 12.8861 12.8861 13.1777 13.1777 13.2346 13.2346 13.3223 13.3223 13.5829 13.5829 13.6018 13.6018 13.9662 13.9662 14.0665 14.0665 14.9368 14.9368 17.0727 17.0727 17.5131 17.5131 18.0049 18.0049 18.6154 18.6154 k = 0.5000 0.2887 0.2302 ( 2104 PWs) bands (ev): 4.9895 4.9895 5.6500 5.6500 7.3118 7.3118 8.3337 8.3337 9.9927 9.9927 10.8497 10.8497 10.8914 10.8914 10.9111 10.9111 11.1457 11.1457 11.4955 11.4955 11.8266 11.8266 12.0725 12.0725 12.1619 12.1619 12.3446 12.3446 12.4873 12.4873 12.5218 12.5218 12.8747 12.8747 13.1848 13.1848 13.2431 13.2431 13.3233 13.3233 13.5782 13.5782 13.6019 13.6019 13.9648 13.9648 14.0832 14.0832 14.8712 14.8712 17.1768 17.1768 17.4407 17.4407 17.9472 17.9472 18.5145 18.5145 k = 0.5000 0.2887 0.2180 ( 2096 PWs) bands (ev): 4.9509 4.9509 5.6305 5.6305 7.3473 7.3473 8.4243 8.4243 9.9792 9.9792 10.8650 10.8650 10.8995 10.8995 10.9236 10.9236 11.1136 11.1136 11.4844 11.4844 11.8480 11.8480 12.0813 12.0813 12.1485 12.1485 12.3333 12.3333 12.4888 12.4888 12.5177 12.5177 12.8655 12.8655 13.1913 13.1913 13.2511 13.2511 13.3230 13.3230 13.5734 13.5734 13.6023 13.6023 13.9629 13.9629 14.1007 14.1007 14.8081 14.8081 17.2792 17.2792 17.3620 17.3620 17.8780 17.8780 18.4281 18.4281 k = 0.5000 0.2887 0.2059 ( 2096 PWs) bands (ev): 4.9140 4.9140 5.6096 5.6096 7.3847 7.3847 8.5158 8.5158 9.9694 9.9694 10.8772 10.8772 10.9079 10.9079 10.9349 10.9349 11.0808 11.0808 11.4747 11.4747 11.8697 11.8697 12.0690 12.0690 12.1548 12.1548 12.3211 12.3211 12.4839 12.4839 12.5203 12.5203 12.8583 12.8583 13.1967 13.1967 13.2583 13.2583 13.3220 13.3220 13.5685 13.5685 13.6030 13.6030 13.9603 13.9603 14.1185 14.1185 14.7476 14.7476 17.2678 17.2678 17.3897 17.3897 17.7999 17.7999 18.3556 18.3556 k = 0.5000 0.2887 0.1938 ( 2100 PWs) bands (ev): 4.8787 4.8787 5.5878 5.5878 7.4232 7.4232 8.6078 8.6078 9.9632 9.9632 10.8869 10.8869 10.9162 10.9162 10.9439 10.9439 11.0475 11.0475 11.4665 11.4665 11.8918 11.8918 12.0445 12.0445 12.1718 12.1718 12.3084 12.3084 12.4752 12.4752 12.5272 12.5272 12.8532 12.8532 13.2006 13.2006 13.2646 13.2646 13.3208 13.3208 13.5634 13.5634 13.6042 13.6042 13.9570 13.9570 14.1364 14.1364 14.6898 14.6898 17.1752 17.1752 17.4924 17.4924 17.7160 17.7160 18.2954 18.2954 k = 0.5000 0.2887 0.1817 ( 2098 PWs) bands (ev): 4.8452 4.8452 5.5657 5.5657 7.4621 7.4621 8.7001 8.7001 9.9609 9.9609 10.8944 10.8944 10.9243 10.9243 10.9501 10.9501 11.0138 11.0138 11.4600 11.4600 11.9142 11.9142 12.0165 12.0165 12.1905 12.1905 12.2956 12.2956 12.4658 12.4658 12.5360 12.5360 12.8501 12.8501 13.2027 13.2027 13.2700 13.2700 13.3202 13.3202 13.5582 13.5582 13.6060 13.6060 13.9531 13.9531 14.1546 14.1546 14.6348 14.6348 17.0778 17.0778 17.5880 17.5880 17.6365 17.6365 18.2459 18.2459 k = 0.5000 0.2887 0.1696 ( 2094 PWs) bands (ev): 4.8135 4.8135 5.5435 5.5435 7.5008 7.5008 8.7923 8.7923 9.9627 9.9627 10.8991 10.8991 10.9310 10.9310 10.9529 10.9529 10.9817 10.9817 11.4552 11.4552 11.9363 11.9363 11.9883 11.9883 12.2070 12.2070 12.2839 12.2839 12.4570 12.4570 12.5455 12.5455 12.8488 12.8488 13.2027 13.2027 13.2743 13.2743 13.3205 13.3205 13.5529 13.5529 13.6085 13.6085 13.9486 13.9486 14.1726 14.1726 14.5827 14.5827 16.9787 16.9787 17.5340 17.5340 17.7047 17.7047 18.2054 18.2054 k = 0.5000 0.2887 0.1575 ( 2092 PWs) bands (ev): 4.7837 4.7837 5.5218 5.5218 7.5386 7.5386 8.8841 8.8841 9.9684 9.9684 10.8998 10.8998 10.9266 10.9266 10.9513 10.9513 10.9628 10.9628 11.4522 11.4522 11.9457 11.9457 11.9729 11.9729 12.2180 12.2180 12.2758 12.2758 12.4499 12.4499 12.5550 12.5550 12.8492 12.8492 13.2004 13.2004 13.2778 13.2778 13.3218 13.3218 13.5473 13.5473 13.6114 13.6114 13.9431 13.9431 14.1901 14.1901 14.5337 14.5337 16.8800 16.8800 17.4464 17.4464 17.8062 17.8062 18.1722 18.1722 k = 0.5000 0.2887 0.1454 ( 2096 PWs) bands (ev): 4.7559 4.7559 5.5007 5.5007 7.5750 7.5750 8.9751 8.9751 9.9781 9.9781 10.8916 10.8916 10.9009 10.9009 10.9553 10.9553 10.9618 10.9618 11.4512 11.4512 11.9216 11.9216 11.9916 11.9916 12.2194 12.2194 12.2743 12.2743 12.4454 12.4454 12.5641 12.5641 12.8508 12.8508 13.1962 13.1962 13.2806 13.2806 13.3241 13.3241 13.5417 13.5417 13.6148 13.6148 13.9368 13.9368 14.2069 14.2069 14.4877 14.4877 16.7834 16.7834 17.3602 17.3602 17.9071 17.9071 18.1449 18.1449 k = 0.5000 0.2887 0.1332 ( 2096 PWs) bands (ev): 4.7301 4.7301 5.4806 5.4806 7.6095 7.6095 9.0650 9.0650 9.9920 9.9920 10.8587 10.8587 10.8868 10.8868 10.9624 10.9624 10.9644 10.9644 11.4521 11.4521 11.8922 11.8922 12.0163 12.0163 12.2121 12.2121 12.2780 12.2780 12.4441 12.4441 12.5726 12.5726 12.8536 12.8536 13.1906 13.1906 13.2828 13.2828 13.3268 13.3268 13.5359 13.5359 13.6188 13.6188 13.9298 13.9298 14.2230 14.2230 14.4450 14.4450 16.6903 16.6903 17.2773 17.2773 18.0061 18.0061 18.1226 18.1226 k = 0.5000 0.2887 0.1211 ( 2094 PWs) bands (ev): 4.7065 4.7065 5.4617 5.4617 7.6419 7.6419 9.1531 9.1531 10.0098 10.0098 10.8203 10.8203 10.8703 10.8703 10.9676 10.9676 10.9704 10.9704 11.4550 11.4550 11.8623 11.8623 12.0419 12.0419 12.2010 12.2010 12.2820 12.2820 12.4466 12.4466 12.5800 12.5800 12.8574 12.8574 13.1841 13.1841 13.2845 13.2845 13.3299 13.3299 13.5300 13.5300 13.6235 13.6235 13.9221 13.9221 14.2381 14.2381 14.4057 14.4057 16.6020 16.6020 17.1990 17.1990 18.0967 18.0967 18.1099 18.1099 k = 0.5000 0.2887 0.1090 ( 2088 PWs) bands (ev): 4.6849 4.6849 5.4441 5.4441 7.6718 7.6718 9.2391 9.2391 10.0314 10.0314 10.7804 10.7804 10.8489 10.8489 10.9722 10.9722 10.9778 10.9778 11.4600 11.4600 11.8326 11.8326 12.0677 12.0677 12.1886 12.1886 12.2840 12.2840 12.4529 12.4529 12.5861 12.5861 12.8618 12.8618 13.1772 13.1772 13.2856 13.2856 13.3329 13.3329 13.5242 13.5242 13.6288 13.6288 13.9138 13.9138 14.2520 14.2520 14.3701 14.3701 16.5195 16.5195 17.1262 17.1262 18.0877 18.0877 18.1968 18.1968 k = 0.5000 0.2887 0.0969 ( 2080 PWs) bands (ev): 4.6655 4.6655 5.4280 5.4280 7.6989 7.6989 9.3220 9.3220 10.0566 10.0566 10.7393 10.7393 10.8234 10.8234 10.9765 10.9765 10.9850 10.9850 11.4672 11.4672 11.8033 11.8033 12.0931 12.0931 12.1765 12.1765 12.2835 12.2835 12.4618 12.4618 12.5909 12.5909 12.8666 12.8666 13.1706 13.1706 13.2862 13.2862 13.3357 13.3357 13.5185 13.5185 13.6348 13.6348 13.9049 13.9049 14.2645 14.2645 14.3383 14.3383 16.4437 16.4437 17.0594 17.0594 18.0752 18.0752 18.2856 18.2856 k = 0.5000 0.2887 0.0848 ( 2084 PWs) bands (ev): 4.6484 4.6484 5.4136 5.4136 7.7230 7.7230 9.4010 9.4010 10.0851 10.0851 10.6973 10.6973 10.7947 10.7947 10.9805 10.9805 10.9916 10.9916 11.4761 11.4761 11.7745 11.7745 12.1174 12.1174 12.1652 12.1652 12.2809 12.2809 12.4726 12.4726 12.5938 12.5938 12.8716 12.8716 13.1644 13.1644 13.2860 13.2860 13.3382 13.3382 13.5130 13.5130 13.6412 13.6412 13.8957 13.8957 14.2744 14.2744 14.3112 14.3112 16.3751 16.3751 16.9994 16.9994 18.0648 18.0648 18.3692 18.3692 k = 0.5000 0.2887 0.0727 ( 2080 PWs) bands (ev): 4.6334 4.6334 5.4008 5.4008 7.7440 7.7440 9.4752 9.4752 10.1166 10.1166 10.6546 10.6546 10.7641 10.7641 10.9841 10.9841 10.9975 10.9975 11.4870 11.4870 11.7463 11.7463 12.1383 12.1383 12.1574 12.1574 12.2771 12.2771 12.4841 12.4841 12.5950 12.5950 12.8765 12.8765 13.1591 13.1591 13.2854 13.2854 13.3404 13.3404 13.5080 13.5080 13.6478 13.6478 13.8863 13.8863 14.2743 14.2743 14.2968 14.2968 16.3146 16.3146 16.9465 16.9465 18.0562 18.0562 18.4462 18.4462 k = 0.5000 0.2887 0.0606 ( 2090 PWs) bands (ev): 4.6207 4.6207 5.3899 5.3899 7.7619 7.7619 9.5431 9.5431 10.1504 10.1504 10.6116 10.6116 10.7330 10.7330 10.9871 10.9871 11.0027 11.0027 11.4995 11.4995 11.7188 11.7188 12.1409 12.1409 12.1673 12.1673 12.2726 12.2726 12.4954 12.4954 12.5945 12.5945 12.8811 12.8811 13.1547 13.1547 13.2843 13.2843 13.3422 13.3422 13.5034 13.5034 13.6546 13.6546 13.8769 13.8769 14.2582 14.2582 14.3003 14.3003 16.2626 16.2626 16.9012 16.9012 18.0493 18.0493 18.5152 18.5152 k = 0.5000 0.2887 0.0485 ( 2084 PWs) bands (ev): 4.6103 4.6103 5.3809 5.3809 7.7766 7.7766 9.6032 9.6032 10.1861 10.1861 10.5688 10.5688 10.7029 10.7029 10.9896 10.9896 11.0072 11.0072 11.5140 11.5140 11.6924 11.6924 12.1346 12.1346 12.1857 12.1857 12.2682 12.2682 12.5060 12.5060 12.5930 12.5930 12.8852 12.8852 13.1513 13.1513 13.2831 13.2831 13.3438 13.3438 13.4995 13.4995 13.6612 13.6612 13.8682 13.8682 14.2418 14.2418 14.3065 14.3065 16.2194 16.2194 16.8637 16.8637 18.0440 18.0440 18.5747 18.5747 k = 0.5000 0.2887 0.0363 ( 2084 PWs) bands (ev): 4.6022 4.6022 5.3739 5.3739 7.7880 7.7880 9.6536 9.6536 10.2224 10.2224 10.5270 10.5270 10.6760 10.6760 10.9916 10.9916 11.0107 11.0107 11.5299 11.5299 11.6672 11.6672 12.1287 12.1287 12.2021 12.2021 12.2639 12.2639 12.5151 12.5151 12.5905 12.5905 12.8886 12.8886 13.1489 13.1489 13.2818 13.2818 13.3449 13.3449 13.4963 13.4963 13.6671 13.6671 13.8606 13.8606 14.2286 14.2286 14.3119 14.3119 16.1856 16.1856 16.8343 16.8343 18.0399 18.0399 18.6232 18.6232 k = 0.5000 0.2887 0.0242 ( 2080 PWs) bands (ev): 4.5964 4.5964 5.3688 5.3688 7.7961 7.7961 9.6919 9.6919 10.2575 10.2575 10.4882 10.4882 10.6543 10.6543 10.9931 10.9931 11.0132 11.0132 11.5468 11.5468 11.6437 11.6437 12.1243 12.1243 12.2152 12.2152 12.2601 12.2601 12.5223 12.5223 12.5879 12.5879 12.8913 12.8913 13.1473 13.1473 13.2807 13.2807 13.3456 13.3456 13.4940 13.4940 13.6720 13.6720 13.8545 13.8545 14.2191 14.2191 14.3161 14.3161 16.1612 16.1612 16.8132 16.8132 18.0371 18.0371 18.6592 18.6592 k = 0.5000 0.2887 0.0121 ( 2076 PWs) bands (ev): 4.5930 4.5930 5.3657 5.3657 7.8010 7.8010 9.7160 9.7160 10.2866 10.2866 10.4570 10.4570 10.6402 10.6402 10.9940 10.9940 11.0148 11.0148 11.5632 11.5632 11.6234 11.6234 12.1217 12.1217 12.2240 12.2240 12.2570 12.2570 12.5270 12.5270 12.5859 12.5859 12.8929 12.8929 13.1464 13.1464 13.2799 13.2799 13.3461 13.3461 13.4927 13.4927 13.6751 13.6751 13.8506 13.8506 14.2134 14.2134 14.3185 14.3185 16.1465 16.1465 16.8005 16.8005 18.0354 18.0354 18.6813 18.6813 k = 0.5000 0.2887-0.0000 ( 2066 PWs) bands (ev): 4.5918 4.5918 5.3647 5.3647 7.8027 7.8027 9.7243 9.7243 10.2992 10.2992 10.4439 10.4439 10.6353 10.6353 10.9942 10.9942 11.0153 11.0153 11.5721 11.5721 11.6134 11.6134 12.1210 12.1210 12.2273 12.2273 12.2559 12.2559 12.5286 12.5286 12.5851 12.5851 12.8934 12.8934 13.1461 13.1461 13.2798 13.2798 13.3463 13.3463 13.4924 13.4924 13.6763 13.6763 13.8492 13.8492 14.2115 14.2115 14.3194 14.3194 16.1416 16.1416 16.7963 16.7963 18.0349 18.0349 18.6888 18.6888 k = 0.3333 0.5774-0.0000 ( 2082 PWs) bands (ev): 5.3497 5.3497 5.3499 5.3499 7.5423 7.5423 9.4495 9.4495 9.4676 9.4676 10.4429 10.4429 10.4594 10.4594 10.5501 10.5501 11.5781 11.5781 11.7314 11.7314 11.9796 11.9796 12.0325 12.0325 12.3309 12.3309 12.4817 12.4817 12.6361 12.6361 12.7726 12.7726 12.8220 12.8220 12.8547 12.8547 13.0304 13.0304 13.2175 13.2175 13.2986 13.2986 13.5512 13.5512 13.6405 13.6405 14.3086 14.3086 15.3933 15.3933 15.4865 15.4865 16.4247 16.4247 16.4880 16.4880 19.3456 19.3456 k = 0.3333 0.5774 0.0121 ( 2082 PWs) bands (ev): 5.3507 5.3507 5.3509 5.3509 7.5436 7.5436 9.4448 9.4448 9.4628 9.4628 10.4453 10.4453 10.4616 10.4616 10.5474 10.5474 11.5781 11.5781 11.7313 11.7313 11.9796 11.9796 12.0326 12.0326 12.3310 12.3310 12.4804 12.4804 12.6335 12.6335 12.7749 12.7749 12.8231 12.8231 12.8542 12.8542 13.0313 13.0313 13.2183 13.2183 13.2993 13.2993 13.5515 13.5515 13.6406 13.6406 14.3080 14.3080 15.3887 15.3887 15.4808 15.4808 16.4346 16.4346 16.4969 16.4969 19.3505 19.3505 k = 0.3333 0.5774 0.0242 ( 2082 PWs) bands (ev): 5.3536 5.3536 5.3538 5.3538 7.5476 7.5476 9.4309 9.4309 9.4485 9.4485 10.4524 10.4524 10.4681 10.4681 10.5395 10.5395 11.5779 11.5779 11.7309 11.7309 11.9798 11.9798 12.0327 12.0327 12.3314 12.3314 12.4765 12.4765 12.6263 12.6263 12.7814 12.7814 12.8264 12.8264 12.8526 12.8526 13.0342 13.0342 13.2205 13.2205 13.3014 13.3014 13.5521 13.5521 13.6411 13.6411 14.3062 14.3062 15.3751 15.3751 15.4644 15.4644 16.4638 16.4638 16.5233 16.5233 19.3651 19.3651 k = 0.3333 0.5774 0.0363 ( 2082 PWs) bands (ev): 5.3585 5.3585 5.3587 5.3587 7.5544 7.5544 9.4083 9.4083 9.4253 9.4253 10.4638 10.4638 10.4785 10.4785 10.5263 10.5263 11.5776 11.5776 11.7303 11.7303 11.9800 11.9800 12.0328 12.0328 12.3321 12.3321 12.4702 12.4702 12.6157 12.6157 12.7908 12.7908 12.8318 12.8318 12.8501 12.8501 13.0391 13.0391 13.2242 13.2242 13.3049 13.3049 13.5532 13.5532 13.6417 13.6417 14.3033 14.3033 15.3539 15.3539 15.4391 15.4391 16.5103 16.5103 16.5658 16.5658 19.3893 19.3893 k = 0.3333 0.5774 0.0485 ( 2082 PWs) bands (ev): 5.3652 5.3652 5.3654 5.3654 7.5638 7.5638 9.3777 9.3777 9.3939 9.3939 10.4787 10.4787 10.4920 10.4920 10.5082 10.5082 11.5772 11.5772 11.7294 11.7294 11.9803 11.9803 12.0329 12.0329 12.3331 12.3331 12.4619 12.4619 12.6028 12.6028 12.8018 12.8018 12.8388 12.8388 12.8469 12.8469 13.0457 13.0457 13.2293 13.2293 13.3097 13.3097 13.5547 13.5547 13.6426 13.6426 14.2991 14.2991 15.3265 15.3265 15.4072 15.4072 16.5718 16.5718 16.6228 16.6228 19.4231 19.4231 k = 0.3333 0.5774 0.0606 ( 2076 PWs) bands (ev): 5.3739 5.3739 5.3741 5.3741 7.5759 7.5759 9.3400 9.3400 9.3554 9.3554 10.4842 10.4842 10.4964 10.4964 10.5091 10.5091 11.5766 11.5766 11.7282 11.7282 11.9806 11.9806 12.0329 12.0329 12.3343 12.3343 12.4522 12.4522 12.5888 12.5888 12.8127 12.8127 12.8442 12.8442 12.8474 12.8474 13.0542 13.0542 13.2357 13.2357 13.3157 13.3157 13.5565 13.5565 13.6437 13.6437 14.2938 14.2938 15.2947 15.2947 15.3707 15.3707 16.6462 16.6462 16.6926 16.6926 19.4664 19.4664 k = 0.3333 0.5774 0.0727 ( 2079 PWs) bands (ev): 5.3845 5.3845 5.3846 5.3846 7.5906 7.5906 9.2960 9.2960 9.3106 9.3106 10.4562 10.4562 10.5161 10.5161 10.5272 10.5272 11.5760 11.5760 11.7268 11.7268 11.9806 11.9806 12.0328 12.0328 12.3358 12.3358 12.4411 12.4411 12.5739 12.5739 12.8197 12.8197 12.8450 12.8450 12.8570 12.8570 13.0642 13.0642 13.2433 13.2433 13.3229 13.3229 13.5586 13.5586 13.6449 13.6449 14.2871 14.2871 15.2599 15.2599 15.3315 15.3315 16.7315 16.7315 16.7736 16.7736 19.5189 19.5189 k = 0.3333 0.5774 0.0848 ( 2067 PWs) bands (ev): 5.3968 5.3968 5.3969 5.3969 7.6080 7.6080 9.2467 9.2467 9.2604 9.2604 10.4234 10.4234 10.5373 10.5373 10.5468 10.5468 11.5754 11.5754 11.7252 11.7252 11.9806 11.9806 12.0325 12.0325 12.3378 12.3378 12.4292 12.4292 12.5590 12.5590 12.8191 12.8191 12.8534 12.8534 12.8676 12.8676 13.0761 13.0761 13.2521 13.2521 13.3312 13.3312 13.5611 13.5611 13.6465 13.6465 14.2793 14.2793 15.2234 15.2234 15.2909 15.2909 16.8262 16.8262 16.8643 16.8643 19.5804 19.5804 k = 0.3333 0.5774 0.0969 ( 2076 PWs) bands (ev): 5.4109 5.4109 5.4110 5.4110 7.6280 7.6280 9.1929 9.1929 9.2058 9.2058 10.3859 10.3859 10.5591 10.5591 10.5672 10.5672 11.5746 11.5746 11.7232 11.7232 11.9801 11.9801 12.0317 12.0317 12.3396 12.3396 12.4168 12.4168 12.5442 12.5442 12.8136 12.8136 12.8659 12.8659 12.8788 12.8788 13.0895 13.0895 13.2618 13.2618 13.3401 13.3401 13.5635 13.5635 13.6478 13.6478 14.2701 14.2701 15.1861 15.1861 15.2500 15.2500 16.9291 16.9291 16.9638 16.9638 19.6507 19.6507 k = 0.3333 0.5774 0.1090 ( 2070 PWs) bands (ev): 5.4268 5.4268 5.4268 5.4268 7.6506 7.6506 9.1353 9.1353 9.1475 9.1475 10.3441 10.3441 10.5812 10.5812 10.5878 10.5878 11.5738 11.5738 11.7210 11.7210 11.9793 11.9793 12.0307 12.0307 12.3418 12.3418 12.4042 12.4042 12.5300 12.5300 12.8061 12.8061 12.8804 12.8804 12.8909 12.8909 13.1045 13.1045 13.2724 13.2724 13.3499 13.3499 13.5660 13.5660 13.6492 13.6492 14.2600 14.2600 15.1488 15.1488 15.2094 15.2094 17.0395 17.0395 17.0711 17.0711 19.7296 19.7296 k = 0.3333 0.5774 0.1211 ( 2073 PWs) bands (ev): 5.4442 5.4442 5.4443 5.4443 7.6758 7.6758 9.0746 9.0746 9.0862 9.0862 10.2983 10.2983 10.6031 10.6031 10.6084 10.6084 11.5729 11.5729 11.7186 11.7186 11.9780 11.9780 12.0292 12.0292 12.3441 12.3441 12.3915 12.3915 12.5163 12.5163 12.7976 12.7976 12.8954 12.8954 12.9034 12.9034 13.1209 13.1209 13.2836 13.2836 13.3604 13.3604 13.5685 13.5685 13.6505 13.6505 14.2484 14.2484 15.1118 15.1118 15.1695 15.1695 17.1565 17.1565 17.1854 17.1854 19.8167 19.8167 k = 0.3333 0.5774 0.1332 ( 2076 PWs) bands (ev): 5.4632 5.4632 5.4633 5.4633 7.7036 7.7036 9.0115 9.0115 9.0226 9.0226 10.2487 10.2487 10.6246 10.6246 10.6286 10.6286 11.5720 11.5720 11.7159 11.7159 11.9762 11.9762 12.0273 12.0273 12.3465 12.3465 12.3790 12.3790 12.5035 12.5035 12.7883 12.7883 12.9109 12.9109 12.9163 12.9163 13.1386 13.1386 13.2953 13.2953 13.3712 13.3712 13.5708 13.5708 13.6516 13.6516 14.2354 14.2354 15.0758 15.0758 15.1310 15.1310 17.2796 17.2796 17.3062 17.3062 19.9117 19.9117 k = 0.3333 0.5774 0.1454 ( 2094 PWs) bands (ev): 5.4836 5.4836 5.4838 5.4838 7.7339 7.7339 8.9466 8.9466 8.9573 8.9573 10.1956 10.1956 10.6454 10.6454 10.6481 10.6481 11.5710 11.5710 11.7130 11.7130 11.9737 11.9737 12.0248 12.0248 12.3486 12.3486 12.3667 12.3667 12.4916 12.4916 12.7784 12.7784 12.9267 12.9267 12.9294 12.9294 13.1574 13.1574 13.3073 13.3073 13.3823 13.3823 13.5727 13.5727 13.6523 13.6523 14.2211 14.2211 15.0408 15.0408 15.0937 15.0937 17.4085 17.4085 17.4330 17.4330 20.0144 20.0144 k = 0.3333 0.5774 0.1575 ( 2094 PWs) bands (ev): 5.5054 5.5054 5.5057 5.5057 7.7667 7.7667 8.8804 8.8804 8.8907 8.8907 10.1393 10.1393 10.6655 10.6655 10.6671 10.6671 11.5702 11.5702 11.7099 11.7099 11.9708 11.9708 12.0220 12.0220 12.3511 12.3511 12.3549 12.3549 12.4809 12.4809 12.7682 12.7682 12.9431 12.9431 12.9432 12.9432 13.1777 13.1777 13.3195 13.3195 13.3937 13.3937 13.5745 13.5745 13.6530 13.6530 14.2056 14.2056 15.0073 15.0073 15.0581 15.0581 17.5426 17.5426 17.5653 17.5653 20.1245 20.1245 k = 0.3333 0.5774 0.1696 ( 2094 PWs) bands (ev): 5.5285 5.5285 5.5288 5.5288 7.8020 7.8020 8.8135 8.8135 8.8234 8.8234 10.0801 10.0801 10.6846 10.6846 10.6852 10.6852 11.5694 11.5694 11.7066 11.7066 11.9675 11.9675 12.0189 12.0189 12.3434 12.3434 12.3533 12.3533 12.4715 12.4715 12.7577 12.7577 12.9575 12.9575 12.9598 12.9598 13.1992 13.1992 13.3318 13.3318 13.4050 13.4050 13.5761 13.5761 13.6535 13.6535 14.1889 14.1889 14.9752 14.9752 15.0243 15.0243 17.6817 17.6817 17.7028 17.7028 20.2416 20.2416 k = 0.3333 0.5774 0.1817 ( 2088 PWs) bands (ev): 5.5526 5.5526 5.5530 5.5530 7.8397 7.8397 8.7462 8.7462 8.7559 8.7559 10.0182 10.0182 10.7026 10.7026 10.7029 10.7029 11.5686 11.5686 11.7032 11.7032 11.9637 11.9637 12.0154 12.0154 12.3325 12.3325 12.3551 12.3551 12.4637 12.4637 12.7470 12.7470 12.9722 12.9722 12.9770 12.9770 13.2219 13.2219 13.3438 13.3438 13.4164 13.4164 13.5772 13.5772 13.6537 13.6537 14.1710 14.1710 14.9448 14.9448 14.9922 14.9922 17.8255 17.8255 17.8451 17.8451 20.3654 20.3654 k = 0.3333 0.5774 0.1938 ( 2088 PWs) bands (ev): 5.5776 5.5776 5.5782 5.5782 7.8799 7.8799 8.6791 8.6791 8.6886 8.6886 9.9539 9.9539 10.7188 10.7188 10.7199 10.7199 11.5679 11.5679 11.6996 11.6996 11.9595 11.9595 12.0116 12.0116 12.3221 12.3221 12.3565 12.3565 12.4575 12.4575 12.7360 12.7360 12.9872 12.9872 12.9943 12.9943 13.2455 13.2455 13.3555 13.3555 13.4275 13.4275 13.5780 13.5780 13.6537 13.6537 14.1517 14.1517 14.9160 14.9160 14.9619 14.9619 17.9735 17.9735 17.9918 17.9918 20.4955 20.4955 k = 0.3333 0.5774 0.2059 ( 2085 PWs) bands (ev): 5.6035 5.6035 5.6041 5.6041 7.9223 7.9223 8.6126 8.6126 8.6220 8.6220 9.8875 9.8875 10.7342 10.7342 10.7361 10.7361 11.5674 11.5674 11.6960 11.6960 11.9549 11.9549 12.0076 12.0076 12.3120 12.3120 12.3570 12.3570 12.4530 12.4530 12.7250 12.7250 13.0026 13.0026 13.0120 13.0120 13.2701 13.2701 13.3667 13.3667 13.4383 13.4383 13.5782 13.5782 13.6533 13.6533 14.1315 14.1315 14.8889 14.8889 14.9334 14.9334 18.1256 18.1256 18.1426 18.1426 20.6318 20.6318 k = 0.3333 0.5774 0.2180 ( 2088 PWs) bands (ev): 5.6299 5.6299 5.6306 5.6306 7.9671 7.9671 8.5472 8.5472 8.5565 8.5565 9.8193 9.8193 10.7484 10.7484 10.7510 10.7510 11.5668 11.5668 11.6923 11.6923 11.9501 11.9501 12.0035 12.0035 12.3024 12.3024 12.3565 12.3565 12.4505 12.4505 12.7138 12.7138 13.0181 13.0181 13.0298 13.0298 13.2953 13.2953 13.3772 13.3772 13.4486 13.4486 13.5779 13.5779 13.6525 13.6525 14.1101 14.1101 14.8636 14.8636 14.9068 14.9068 18.2813 18.2813 18.2972 18.2972 20.7737 20.7737 k = 0.3333 0.5774 0.2302 ( 2088 PWs) bands (ev): 5.6566 5.6566 5.6575 5.6575 8.0141 8.0141 8.4832 8.4832 8.4924 8.4924 9.7495 9.7495 10.7617 10.7617 10.7648 10.7648 11.5664 11.5664 11.6885 11.6885 11.9452 11.9452 11.9994 11.9994 12.2933 12.2933 12.3552 12.3552 12.4498 12.4498 12.7026 12.7026 13.0339 13.0339 13.0477 13.0477 13.3214 13.3214 13.3869 13.3869 13.4585 13.4585 13.5771 13.5771 13.6515 13.6515 14.0877 14.0877 14.8400 14.8400 14.8821 14.8821 18.4405 18.4405 18.4553 18.4553 20.9210 20.9210 k = 0.3333 0.5774 0.2423 ( 2088 PWs) bands (ev): 5.6834 5.6834 5.6844 5.6844 8.0633 8.0633 8.4212 8.4212 8.4304 8.4304 9.6784 9.6784 10.7739 10.7739 10.7775 10.7775 11.5661 11.5661 11.6847 11.6847 11.9402 11.9402 11.9954 11.9954 12.2846 12.2846 12.3531 12.3531 12.4510 12.4510 12.6914 12.6914 13.0497 13.0497 13.0656 13.0656 13.3482 13.3482 13.3958 13.3958 13.4677 13.4677 13.5759 13.5759 13.6503 13.6503 14.0642 14.0642 14.8182 14.8182 14.8592 14.8592 18.6028 18.6028 18.6165 18.6165 21.0733 21.0733 k = 0.3333 0.5774 0.2544 ( 2094 PWs) bands (ev): 5.7100 5.7100 5.7111 5.7111 8.1146 8.1146 8.3616 8.3616 8.3708 8.3708 9.6061 9.6061 10.7851 10.7851 10.7891 10.7891 11.5659 11.5659 11.6810 11.6810 11.9352 11.9352 11.9915 11.9915 12.2765 12.2765 12.3502 12.3502 12.4537 12.4537 12.6802 12.6802 13.0654 13.0654 13.0833 13.0833 13.3754 13.3754 13.4036 13.4036 13.4762 13.4762 13.5744 13.5744 13.6488 13.6488 14.0398 14.0398 14.7981 14.7981 14.8382 14.8382 18.7678 18.7678 18.7804 18.7804 21.2302 21.2302 k = 0.3333 0.5774 0.2665 ( 2094 PWs) bands (ev): 5.7361 5.7361 5.7374 5.7374 8.1680 8.1680 8.3049 8.3049 8.3141 8.3141 9.5330 9.5330 10.7954 10.7954 10.7997 10.7997 11.5658 11.5658 11.6774 11.6774 11.9304 11.9304 11.9878 11.9878 12.2688 12.2688 12.3470 12.3470 12.4578 12.4578 12.6691 12.6691 13.0810 13.0810 13.1007 13.1007 13.4029 13.4029 13.4104 13.4104 13.4839 13.4839 13.5728 13.5728 13.6474 13.6474 14.0145 14.0145 14.7798 14.7798 14.8190 14.8190 18.9351 18.9351 18.9467 18.9467 21.3912 21.3912 k = 0.3333 0.5774 0.2786 ( 2094 PWs) bands (ev): 5.7614 5.7614 5.7628 5.7628 8.2232 8.2232 8.2518 8.2518 8.2607 8.2607 9.4594 9.4594 10.8047 10.8047 10.8092 10.8092 11.5659 11.5659 11.6739 11.6739 11.9258 11.9258 11.9844 11.9844 12.2617 12.2617 12.3435 12.3435 12.4630 12.4630 12.6581 12.6581 13.0961 13.0961 13.1176 13.1176 13.4161 13.4161 13.4303 13.4303 13.4909 13.4909 13.5715 13.5715 13.6459 13.6459 13.9884 13.9884 14.7633 14.7633 14.8017 14.8017 19.1044 19.1044 19.1148 19.1148 21.5558 21.5558 k = 0.3333 0.5774 0.2907 ( 2088 PWs) bands (ev): 5.7855 5.7855 5.7870 5.7870 8.2018 8.2018 8.2112 8.2112 8.2811 8.2811 9.3853 9.3853 10.8131 10.8131 10.8178 10.8178 11.5661 11.5661 11.6707 11.6707 11.9215 11.9215 11.9813 11.9813 12.2551 12.2551 12.3400 12.3400 12.4691 12.4691 12.6473 12.6473 13.1108 13.1108 13.1338 13.1338 13.4206 13.4206 13.4569 13.4569 13.4973 13.4973 13.5709 13.5709 13.6445 13.6445 13.9616 13.9616 14.7487 14.7487 14.7864 14.7864 19.2752 19.2752 19.2842 19.2842 21.7229 21.7229 k = 0.3333 0.5774 0.3028 ( 2094 PWs) bands (ev): 5.8080 5.8080 5.8097 5.8097 8.1565 8.1565 8.1660 8.1660 8.3403 8.3403 9.3110 9.3110 10.8203 10.8203 10.8252 10.8252 11.5662 11.5662 11.6676 11.6676 11.9175 11.9175 11.9785 11.9785 12.2491 12.2491 12.3366 12.3366 12.4756 12.4756 12.6367 12.6367 13.1245 13.1245 13.1491 13.1491 13.4239 13.4239 13.4803 13.4803 13.5043 13.5043 13.5719 13.5719 13.6432 13.6432 13.9341 13.9341 14.7357 14.7357 14.7727 14.7727 19.4467 19.4467 19.4543 19.4543 21.8517 21.8517 k = 0.3333 0.5774 0.3150 ( 2094 PWs) bands (ev): 5.8286 5.8286 5.8304 5.8304 8.1160 8.1160 8.1256 8.1256 8.4013 8.4013 9.2367 9.2367 10.8266 10.8266 10.8316 10.8316 11.5665 11.5665 11.6648 11.6648 11.9140 11.9140 11.9762 11.9762 12.2439 12.2439 12.3334 12.3334 12.4824 12.4824 12.6264 12.6264 13.1372 13.1372 13.1632 13.1632 13.4264 13.4264 13.4945 13.4945 13.5163 13.5163 13.5766 13.5766 13.6420 13.6420 13.9061 13.9061 14.7245 14.7245 14.7610 14.7610 19.6183 19.6183 19.6242 19.6242 21.7300 21.7300 k = 0.3333 0.5774 0.3271 ( 2100 PWs) bands (ev): 5.8469 5.8469 5.8488 5.8488 8.0807 8.0807 8.0903 8.0903 8.4640 8.4640 9.1625 9.1625 10.8319 10.8319 10.8369 10.8369 11.5667 11.5667 11.6623 11.6623 11.9110 11.9110 11.9741 11.9741 12.2393 12.2393 12.3306 12.3306 12.4896 12.4896 12.6166 12.6166 13.1487 13.1487 13.1759 13.1759 13.4279 13.4279 13.4993 13.4993 13.5303 13.5303 13.5880 13.5880 13.6409 13.6409 13.8777 13.8777 14.7148 14.7148 14.7509 14.7509 19.7889 19.7889 19.7927 19.7927 21.5925 21.5925 k = 0.3333 0.5774 0.3392 ( 2094 PWs) bands (ev): 5.8624 5.8624 5.8644 5.8644 8.0512 8.0512 8.0609 8.0609 8.5284 8.5284 9.0887 9.0887 10.8363 10.8363 10.8414 10.8414 11.5669 11.5669 11.6602 11.6602 11.9085 11.9085 11.9725 11.9725 12.2356 12.2356 12.3284 12.3284 12.4966 12.4966 12.6074 12.6074 13.1587 13.1587 13.1870 13.1870 13.4287 13.4287 13.5008 13.5008 13.5392 13.5392 13.6075 13.6075 13.6402 13.6402 13.8492 13.8492 14.7071 14.7071 14.7428 14.7428 19.9567 19.9567 19.9578 19.9578 21.4494 21.4494 k = 0.3333 0.5774 0.3513 ( 2094 PWs) bands (ev): 5.8749 5.8749 5.8770 5.8770 8.0277 8.0277 8.0375 8.0375 8.5943 8.5943 9.0155 9.0155 10.8397 10.8397 10.8448 10.8448 11.5672 11.5672 11.6585 11.6585 11.9065 11.9065 11.9713 11.9713 12.2326 12.2326 12.3265 12.3265 12.5032 12.5032 12.5993 12.5993 13.1668 13.1668 13.1959 13.1959 13.4290 13.4290 13.5009 13.5009 13.5438 13.5438 13.6318 13.6318 13.6396 13.6396 13.8207 13.8207 14.7011 14.7011 14.7365 14.7365 20.1159 20.1159 20.1184 20.1184 21.3057 21.3057 k = 0.3333 0.5774 0.3634 ( 2094 PWs) bands (ev): 5.8841 5.8841 5.8863 5.8863 8.0107 8.0107 8.0205 8.0205 8.6616 8.6616 8.9428 8.9428 10.8421 10.8421 10.8472 10.8472 11.5673 11.5673 11.6573 11.6573 11.9050 11.9050 11.9703 11.9703 12.2305 12.2305 12.3251 12.3251 12.5088 12.5088 12.5925 12.5925 13.1728 13.1728 13.2026 13.2026 13.4290 13.4290 13.5004 13.5004 13.5462 13.5462 13.6391 13.6391 13.6576 13.6576 13.7931 13.7931 14.6969 14.6969 14.7320 14.7320 20.2595 20.2595 20.2671 20.2671 21.1692 21.1692 k = 0.3333 0.5774 0.3755 ( 2094 PWs) bands (ev): 5.8897 5.8897 5.8919 5.8919 8.0004 8.0004 8.0102 8.0102 8.7301 8.7301 8.8711 8.8711 10.8435 10.8435 10.8487 10.8487 11.5675 11.5675 11.6565 11.6565 11.9042 11.9042 11.9698 11.9698 12.2292 12.2292 12.3243 12.3243 12.5126 12.5126 12.5880 12.5880 13.1765 13.1765 13.2067 13.2067 13.4289 13.4289 13.5000 13.5000 13.5474 13.5474 13.6389 13.6389 13.6813 13.6813 13.7686 13.7686 14.6943 14.6943 14.7294 14.7294 20.3713 20.3713 20.3856 20.3856 21.0578 21.0578 k = 0.3333 0.5774 0.3876 ( 2082 PWs) bands (ev): 5.8916 5.8916 5.8938 5.8938 7.9970 7.9970 8.0068 8.0068 8.7958 8.7958 8.8043 8.8043 10.8441 10.8441 10.8492 10.8492 11.5676 11.5676 11.6563 11.6563 11.9040 11.9040 11.9697 11.9697 12.2289 12.2289 12.3241 12.3241 12.5141 12.5141 12.5865 12.5865 13.1778 13.1778 13.2081 13.2081 13.4289 13.4289 13.4998 13.4998 13.5478 13.5478 13.6389 13.6389 13.6934 13.6934 13.7566 13.7566 14.6936 14.6936 14.7286 14.7286 20.4170 20.4170 20.4355 20.4355 21.0103 21.0103 Writing output data file SiNi2.save init_run : 0.17s CPU 0.45s WALL ( 1 calls) electrons : 176.25s CPU 179.40s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.19s WALL ( 1 calls) Called by electrons: c_bands : 176.24s CPU 179.40s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.04s WALL ( 367 calls) cegterg : 162.96s CPU 165.54s WALL ( 571 calls) Called by sum_band: Called by *egterg: h_psi : 70.74s CPU 72.57s WALL ( 9690 calls) s_psi : 9.00s CPU 9.23s WALL ( 9690 calls) g_psi : 0.17s CPU 0.17s WALL ( 8752 calls) cdiaghg : 78.95s CPU 79.89s WALL ( 9119 calls) cegterg:over : 5.81s CPU 5.79s WALL ( 8752 calls) cegterg:upda : 3.92s CPU 3.97s WALL ( 8752 calls) cegterg:last : 2.59s CPU 2.54s WALL ( 1506 calls) cdiaghg:chol : 4.34s CPU 4.36s WALL ( 9119 calls) cdiaghg:inve : 3.01s CPU 3.11s WALL ( 9119 calls) cdiaghg:para : 5.16s CPU 5.16s WALL ( 18238 calls) Called by h_psi: h_psi:vloc : 51.29s CPU 52.97s WALL ( 9690 calls) h_psi:vnl : 19.31s CPU 19.42s WALL ( 9690 calls) add_vuspsi : 11.04s CPU 11.22s WALL ( 9690 calls) General routines calbec : 8.24s CPU 8.17s WALL ( 9690 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 47.81s CPU 49.38s WALL ( 1102920 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.16s WALL ( 734 calls) Parallel routines fft_scatter : 23.48s CPU 24.30s WALL ( 1102943 calls) PWSCF : 3m10.46s CPU 3m25.10s WALL This run was terminated on: 20:59: 6 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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