Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:28:32 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: ./RbAu3Se2.save/ file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 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 108 42 12 4668 1156 180 Max 109 43 13 4672 1175 185 Sum 3889 1531 439 168125 41951 6507 bravais-lattice index = 14 lattice parameter (alat) = 11.5500 a.u. unit-cell volume = 1140.5045 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 54.00 number of Kohn-Sham states= 64 kinetic-energy cutoff = 42.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.550005 celldm(2)= 1.000000 celldm(3)= 0.854712 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 0.854712 ) 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 1.169985 ) PseudoPot. # 1 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Se 6.00 78.96000 Se( 1.00) Rb 9.00 85.46780 Rb( 1.00) Au 11.00 196.96660 Au( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 268 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 2) = ( 0.0166667 0.0096225 -0.0000000), wk = 0.0037313 k( 3) = ( 0.0333333 0.0192450 -0.0000000), wk = 0.0037313 k( 4) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0037313 k( 5) = ( 0.0666667 0.0384900 -0.0000000), wk = 0.0037313 k( 6) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0037313 k( 7) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0037313 k( 8) = ( 0.1166667 0.0673575 -0.0000000), wk = 0.0037313 k( 9) = ( 0.1333333 0.0769800 -0.0000000), wk = 0.0037313 k( 10) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0037313 k( 11) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0037313 k( 12) = ( 0.1833333 0.1058475 -0.0000000), wk = 0.0037313 k( 13) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0037313 k( 14) = ( 0.2166667 0.1250926 -0.0000000), wk = 0.0037313 k( 15) = ( 0.2333333 0.1347151 -0.0000000), wk = 0.0037313 k( 16) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0037313 k( 17) = ( 0.2666667 0.1539601 -0.0000000), wk = 0.0037313 k( 18) = ( 0.2833333 0.1635826 -0.0000000), wk = 0.0037313 k( 19) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0037313 k( 20) = ( 0.3166667 0.1828276 -0.0000000), wk = 0.0037313 k( 21) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0037313 k( 22) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0037313 k( 23) = ( 0.3666667 0.2116951 -0.0000000), wk = 0.0037313 k( 24) = ( 0.3833333 0.2213176 -0.0000000), wk = 0.0037313 k( 25) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0037313 k( 26) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0037313 k( 27) = ( 0.4333333 0.2501851 -0.0000000), wk = 0.0037313 k( 28) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0037313 k( 29) = ( 0.4666667 0.2694301 -0.0000000), wk = 0.0037313 k( 30) = ( 0.4833333 0.2790526 -0.0000000), wk = 0.0037313 k( 31) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0037313 k( 32) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0037313 k( 33) = ( 0.4907407 0.3047126 -0.0000000), wk = 0.0037313 k( 34) = ( 0.4814815 0.3207502 -0.0000000), wk = 0.0037313 k( 35) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0037313 k( 36) = ( 0.4629630 0.3528252 -0.0000000), wk = 0.0037313 k( 37) = ( 0.4537037 0.3688627 -0.0000000), wk = 0.0037313 k( 38) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0037313 k( 39) = ( 0.4351852 0.4009377 -0.0000000), wk = 0.0037313 k( 40) = ( 0.4259259 0.4169752 -0.0000000), wk = 0.0037313 k( 41) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0037313 k( 42) = ( 0.4074074 0.4490502 -0.0000000), wk = 0.0037313 k( 43) = ( 0.3981481 0.4650877 -0.0000000), wk = 0.0037313 k( 44) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0037313 k( 45) = ( 0.3796296 0.4971627 -0.0000000), wk = 0.0037313 k( 46) = ( 0.3703704 0.5132002 -0.0000000), wk = 0.0037313 k( 47) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0037313 k( 48) = ( 0.3518519 0.5452753 -0.0000000), wk = 0.0037313 k( 49) = ( 0.3425926 0.5613128 -0.0000000), wk = 0.0037313 k( 50) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0037313 k( 51) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0037313 k( 52) = ( 0.3238095 0.5608545 -0.0000000), wk = 0.0037313 k( 53) = ( 0.3142857 0.5443588 -0.0000000), wk = 0.0037313 k( 54) = ( 0.3047619 0.5278631 -0.0000000), wk = 0.0037313 k( 55) = ( 0.2952381 0.5113674 -0.0000000), wk = 0.0037313 k( 56) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0037313 k( 57) = ( 0.2761905 0.4783759 -0.0000000), wk = 0.0037313 k( 58) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0037313 k( 59) = ( 0.2571429 0.4453845 -0.0000000), wk = 0.0037313 k( 60) = ( 0.2476191 0.4288888 -0.0000000), wk = 0.0037313 k( 61) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0037313 k( 62) = ( 0.2285714 0.3958973 -0.0000000), wk = 0.0037313 k( 63) = ( 0.2190476 0.3794016 -0.0000000), wk = 0.0037313 k( 64) = ( 0.2095238 0.3629059 -0.0000000), wk = 0.0037313 k( 65) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0037313 k( 66) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0037313 k( 67) = ( 0.1809524 0.3134187 -0.0000000), wk = 0.0037313 k( 68) = ( 0.1714286 0.2969230 -0.0000000), wk = 0.0037313 k( 69) = ( 0.1619048 0.2804273 -0.0000000), wk = 0.0037313 k( 70) = ( 0.1523809 0.2639315 -0.0000000), wk = 0.0037313 k( 71) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0037313 k( 72) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0037313 k( 73) = ( 0.1238095 0.2144444 -0.0000000), wk = 0.0037313 k( 74) = ( 0.1142857 0.1979487 -0.0000000), wk = 0.0037313 k( 75) = ( 0.1047619 0.1814529 -0.0000000), wk = 0.0037313 k( 76) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0037313 k( 77) = ( 0.0857143 0.1484615 -0.0000000), wk = 0.0037313 k( 78) = ( 0.0761905 0.1319658 -0.0000000), wk = 0.0037313 k( 79) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0037313 k( 80) = ( 0.0571429 0.0989743 -0.0000000), wk = 0.0037313 k( 81) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0037313 k( 82) = ( 0.0380952 0.0659829 -0.0000000), wk = 0.0037313 k( 83) = ( 0.0285714 0.0494872 -0.0000000), wk = 0.0037313 k( 84) = ( 0.0190476 0.0329914 -0.0000000), wk = 0.0037313 k( 85) = ( 0.0095238 0.0164957 -0.0000000), wk = 0.0037313 k( 86) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 87) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 88) = ( 0.0000000 0.0000000 0.0188707), wk = 0.0037313 k( 89) = ( 0.0000000 0.0000000 0.0377414), wk = 0.0037313 k( 90) = ( 0.0000000 0.0000000 0.0566122), wk = 0.0037313 k( 91) = ( 0.0000000 0.0000000 0.0754829), wk = 0.0037313 k( 92) = ( 0.0000000 0.0000000 0.0943536), wk = 0.0037313 k( 93) = ( 0.0000000 0.0000000 0.1132243), wk = 0.0037313 k( 94) = ( 0.0000000 0.0000000 0.1320951), wk = 0.0037313 k( 95) = ( 0.0000000 0.0000000 0.1509658), wk = 0.0037313 k( 96) = ( 0.0000000 0.0000000 0.1698365), wk = 0.0037313 k( 97) = ( 0.0000000 0.0000000 0.1887072), wk = 0.0037313 k( 98) = ( 0.0000000 0.0000000 0.2075779), wk = 0.0037313 k( 99) = ( 0.0000000 0.0000000 0.2264487), wk = 0.0037313 k( 100) = ( 0.0000000 0.0000000 0.2453194), wk = 0.0037313 k( 101) = ( 0.0000000 0.0000000 0.2641901), wk = 0.0037313 k( 102) = ( 0.0000000 0.0000000 0.2830608), wk = 0.0037313 k( 103) = ( 0.0000000 0.0000000 0.3019315), wk = 0.0037313 k( 104) = ( 0.0000000 0.0000000 0.3208023), wk = 0.0037313 k( 105) = ( 0.0000000 0.0000000 0.3396730), wk = 0.0037313 k( 106) = ( 0.0000000 0.0000000 0.3585437), wk = 0.0037313 k( 107) = ( 0.0000000 0.0000000 0.3774144), wk = 0.0037313 k( 108) = ( 0.0000000 0.0000000 0.3962851), wk = 0.0037313 k( 109) = ( 0.0000000 0.0000000 0.4151559), wk = 0.0037313 k( 110) = ( 0.0000000 0.0000000 0.4340266), wk = 0.0037313 k( 111) = ( 0.0000000 0.0000000 0.4528973), wk = 0.0037313 k( 112) = ( 0.0000000 0.0000000 0.4717680), wk = 0.0037313 k( 113) = ( 0.0000000 0.0000000 0.4906387), wk = 0.0037313 k( 114) = ( 0.0000000 0.0000000 0.5095095), wk = 0.0037313 k( 115) = ( 0.0000000 0.0000000 0.5283802), wk = 0.0037313 k( 116) = ( 0.0000000 0.0000000 0.5472509), wk = 0.0037313 k( 117) = ( 0.0000000 0.0000000 0.5661216), wk = 0.0037313 k( 118) = ( 0.0000000 0.0000000 0.5849923), wk = 0.0037313 k( 119) = ( 0.0000000 0.0000000 0.5849923), wk = 0.0037313 k( 120) = ( 0.0166667 0.0096225 0.5849923), wk = 0.0037313 k( 121) = ( 0.0333333 0.0192450 0.5849923), wk = 0.0037313 k( 122) = ( 0.0500000 0.0288675 0.5849923), wk = 0.0037313 k( 123) = ( 0.0666667 0.0384900 0.5849923), wk = 0.0037313 k( 124) = ( 0.0833333 0.0481125 0.5849923), wk = 0.0037313 k( 125) = ( 0.1000000 0.0577350 0.5849923), wk = 0.0037313 k( 126) = ( 0.1166667 0.0673575 0.5849923), wk = 0.0037313 k( 127) = ( 0.1333333 0.0769800 0.5849923), wk = 0.0037313 k( 128) = ( 0.1500000 0.0866025 0.5849923), wk = 0.0037313 k( 129) = ( 0.1666667 0.0962250 0.5849923), wk = 0.0037313 k( 130) = ( 0.1833333 0.1058475 0.5849923), wk = 0.0037313 k( 131) = ( 0.2000000 0.1154701 0.5849923), wk = 0.0037313 k( 132) = ( 0.2166667 0.1250926 0.5849923), wk = 0.0037313 k( 133) = ( 0.2333333 0.1347151 0.5849923), wk = 0.0037313 k( 134) = ( 0.2500000 0.1443376 0.5849923), wk = 0.0037313 k( 135) = ( 0.2666667 0.1539601 0.5849923), wk = 0.0037313 k( 136) = ( 0.2833333 0.1635826 0.5849923), wk = 0.0037313 k( 137) = ( 0.3000000 0.1732051 0.5849923), wk = 0.0037313 k( 138) = ( 0.3166667 0.1828276 0.5849923), wk = 0.0037313 k( 139) = ( 0.3333333 0.1924501 0.5849923), wk = 0.0037313 k( 140) = ( 0.3500000 0.2020726 0.5849923), wk = 0.0037313 k( 141) = ( 0.3666667 0.2116951 0.5849923), wk = 0.0037313 k( 142) = ( 0.3833333 0.2213176 0.5849923), wk = 0.0037313 k( 143) = ( 0.4000000 0.2309401 0.5849923), wk = 0.0037313 k( 144) = ( 0.4166667 0.2405626 0.5849923), wk = 0.0037313 k( 145) = ( 0.4333333 0.2501851 0.5849923), wk = 0.0037313 k( 146) = ( 0.4500000 0.2598076 0.5849923), wk = 0.0037313 k( 147) = ( 0.4666667 0.2694301 0.5849923), wk = 0.0037313 k( 148) = ( 0.4833333 0.2790526 0.5849923), wk = 0.0037313 k( 149) = ( 0.5000000 0.2886751 0.5849923), wk = 0.0037313 k( 150) = ( 0.5000000 0.2886751 0.5849923), wk = 0.0037313 k( 151) = ( 0.4907407 0.3047126 0.5849923), wk = 0.0037313 k( 152) = ( 0.4814815 0.3207502 0.5849923), wk = 0.0037313 k( 153) = ( 0.4722222 0.3367877 0.5849923), wk = 0.0037313 k( 154) = ( 0.4629630 0.3528252 0.5849923), wk = 0.0037313 k( 155) = ( 0.4537037 0.3688627 0.5849923), wk = 0.0037313 k( 156) = ( 0.4444444 0.3849002 0.5849923), wk = 0.0037313 k( 157) = ( 0.4351852 0.4009377 0.5849923), wk = 0.0037313 k( 158) = ( 0.4259259 0.4169752 0.5849923), wk = 0.0037313 k( 159) = ( 0.4166667 0.4330127 0.5849923), wk = 0.0037313 k( 160) = ( 0.4074074 0.4490502 0.5849923), wk = 0.0037313 k( 161) = ( 0.3981481 0.4650877 0.5849923), wk = 0.0037313 k( 162) = ( 0.3888889 0.4811252 0.5849923), wk = 0.0037313 k( 163) = ( 0.3796296 0.4971627 0.5849923), wk = 0.0037313 k( 164) = ( 0.3703704 0.5132002 0.5849923), wk = 0.0037313 k( 165) = ( 0.3611111 0.5292377 0.5849923), wk = 0.0037313 k( 166) = ( 0.3518519 0.5452753 0.5849923), wk = 0.0037313 k( 167) = ( 0.3425926 0.5613128 0.5849923), wk = 0.0037313 k( 168) = ( 0.3333333 0.5773503 0.5849923), wk = 0.0037313 k( 169) = ( 0.3333333 0.5773503 0.5849923), wk = 0.0037313 k( 170) = ( 0.3238095 0.5608545 0.5849923), wk = 0.0037313 k( 171) = ( 0.3142857 0.5443588 0.5849923), wk = 0.0037313 k( 172) = ( 0.3047619 0.5278631 0.5849923), wk = 0.0037313 k( 173) = ( 0.2952381 0.5113674 0.5849923), wk = 0.0037313 k( 174) = ( 0.2857143 0.4948717 0.5849923), wk = 0.0037313 k( 175) = ( 0.2761905 0.4783759 0.5849923), wk = 0.0037313 k( 176) = ( 0.2666667 0.4618802 0.5849923), wk = 0.0037313 k( 177) = ( 0.2571429 0.4453845 0.5849923), wk = 0.0037313 k( 178) = ( 0.2476191 0.4288888 0.5849923), wk = 0.0037313 k( 179) = ( 0.2380952 0.4123931 0.5849923), wk = 0.0037313 k( 180) = ( 0.2285714 0.3958973 0.5849923), wk = 0.0037313 k( 181) = ( 0.2190476 0.3794016 0.5849923), wk = 0.0037313 k( 182) = ( 0.2095238 0.3629059 0.5849923), wk = 0.0037313 k( 183) = ( 0.2000000 0.3464102 0.5849923), wk = 0.0037313 k( 184) = ( 0.1904762 0.3299144 0.5849923), wk = 0.0037313 k( 185) = ( 0.1809524 0.3134187 0.5849923), wk = 0.0037313 k( 186) = ( 0.1714286 0.2969230 0.5849923), wk = 0.0037313 k( 187) = ( 0.1619048 0.2804273 0.5849923), wk = 0.0037313 k( 188) = ( 0.1523809 0.2639315 0.5849923), wk = 0.0037313 k( 189) = ( 0.1428571 0.2474358 0.5849923), wk = 0.0037313 k( 190) = ( 0.1333333 0.2309401 0.5849923), wk = 0.0037313 k( 191) = ( 0.1238095 0.2144444 0.5849923), wk = 0.0037313 k( 192) = ( 0.1142857 0.1979487 0.5849923), wk = 0.0037313 k( 193) = ( 0.1047619 0.1814529 0.5849923), wk = 0.0037313 k( 194) = ( 0.0952381 0.1649572 0.5849923), wk = 0.0037313 k( 195) = ( 0.0857143 0.1484615 0.5849923), wk = 0.0037313 k( 196) = ( 0.0761905 0.1319658 0.5849923), wk = 0.0037313 k( 197) = ( 0.0666667 0.1154701 0.5849923), wk = 0.0037313 k( 198) = ( 0.0571429 0.0989743 0.5849923), wk = 0.0037313 k( 199) = ( 0.0476191 0.0824786 0.5849923), wk = 0.0037313 k( 200) = ( 0.0380952 0.0659829 0.5849923), wk = 0.0037313 k( 201) = ( 0.0285714 0.0494872 0.5849923), wk = 0.0037313 k( 202) = ( 0.0190476 0.0329914 0.5849923), wk = 0.0037313 k( 203) = ( 0.0095238 0.0164957 0.5849923), wk = 0.0037313 k( 204) = ( 0.0000000 0.0000000 0.5849923), wk = 0.0037313 k( 205) = ( 0.5000000 0.2886751 0.5849923), wk = 0.0037313 k( 206) = ( 0.5000000 0.2886751 0.5661216), wk = 0.0037313 k( 207) = ( 0.5000000 0.2886751 0.5472509), wk = 0.0037313 k( 208) = ( 0.5000000 0.2886751 0.5283802), wk = 0.0037313 k( 209) = ( 0.5000000 0.2886751 0.5095095), wk = 0.0037313 k( 210) = ( 0.5000000 0.2886751 0.4906387), wk = 0.0037313 k( 211) = ( 0.5000000 0.2886751 0.4717680), wk = 0.0037313 k( 212) = ( 0.5000000 0.2886751 0.4528973), wk = 0.0037313 k( 213) = ( 0.5000000 0.2886751 0.4340266), wk = 0.0037313 k( 214) = ( 0.5000000 0.2886751 0.4151559), wk = 0.0037313 k( 215) = ( 0.5000000 0.2886751 0.3962851), wk = 0.0037313 k( 216) = ( 0.5000000 0.2886751 0.3774144), wk = 0.0037313 k( 217) = ( 0.5000000 0.2886751 0.3585437), wk = 0.0037313 k( 218) = ( 0.5000000 0.2886751 0.3396730), wk = 0.0037313 k( 219) = ( 0.5000000 0.2886751 0.3208023), wk = 0.0037313 k( 220) = ( 0.5000000 0.2886751 0.3019315), wk = 0.0037313 k( 221) = ( 0.5000000 0.2886751 0.2830608), wk = 0.0037313 k( 222) = ( 0.5000000 0.2886751 0.2641901), wk = 0.0037313 k( 223) = ( 0.5000000 0.2886751 0.2453194), wk = 0.0037313 k( 224) = ( 0.5000000 0.2886751 0.2264487), wk = 0.0037313 k( 225) = ( 0.5000000 0.2886751 0.2075779), wk = 0.0037313 k( 226) = ( 0.5000000 0.2886751 0.1887072), wk = 0.0037313 k( 227) = ( 0.5000000 0.2886751 0.1698365), wk = 0.0037313 k( 228) = ( 0.5000000 0.2886751 0.1509658), wk = 0.0037313 k( 229) = ( 0.5000000 0.2886751 0.1320951), wk = 0.0037313 k( 230) = ( 0.5000000 0.2886751 0.1132243), wk = 0.0037313 k( 231) = ( 0.5000000 0.2886751 0.0943536), wk = 0.0037313 k( 232) = ( 0.5000000 0.2886751 0.0754829), wk = 0.0037313 k( 233) = ( 0.5000000 0.2886751 0.0566122), wk = 0.0037313 k( 234) = ( 0.5000000 0.2886751 0.0377414), wk = 0.0037313 k( 235) = ( 0.5000000 0.2886751 0.0188707), wk = 0.0037313 k( 236) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0037313 k( 237) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0037313 k( 238) = ( 0.3333333 0.5773503 0.0188707), wk = 0.0037313 k( 239) = ( 0.3333333 0.5773503 0.0377414), wk = 0.0037313 k( 240) = ( 0.3333333 0.5773503 0.0566122), wk = 0.0037313 k( 241) = ( 0.3333333 0.5773503 0.0754829), wk = 0.0037313 k( 242) = ( 0.3333333 0.5773503 0.0943536), wk = 0.0037313 k( 243) = ( 0.3333333 0.5773503 0.1132243), wk = 0.0037313 k( 244) = ( 0.3333333 0.5773503 0.1320951), wk = 0.0037313 k( 245) = ( 0.3333333 0.5773503 0.1509658), wk = 0.0037313 k( 246) = ( 0.3333333 0.5773503 0.1698365), wk = 0.0037313 k( 247) = ( 0.3333333 0.5773503 0.1887072), wk = 0.0037313 k( 248) = ( 0.3333333 0.5773503 0.2075779), wk = 0.0037313 k( 249) = ( 0.3333333 0.5773503 0.2264487), wk = 0.0037313 k( 250) = ( 0.3333333 0.5773503 0.2453194), wk = 0.0037313 k( 251) = ( 0.3333333 0.5773503 0.2641901), wk = 0.0037313 k( 252) = ( 0.3333333 0.5773503 0.2830608), wk = 0.0037313 k( 253) = ( 0.3333333 0.5773503 0.3019315), wk = 0.0037313 k( 254) = ( 0.3333333 0.5773503 0.3208023), wk = 0.0037313 k( 255) = ( 0.3333333 0.5773503 0.3396730), wk = 0.0037313 k( 256) = ( 0.3333333 0.5773503 0.3585437), wk = 0.0037313 k( 257) = ( 0.3333333 0.5773503 0.3774144), wk = 0.0037313 k( 258) = ( 0.3333333 0.5773503 0.3962851), wk = 0.0037313 k( 259) = ( 0.3333333 0.5773503 0.4151559), wk = 0.0037313 k( 260) = ( 0.3333333 0.5773503 0.4340266), wk = 0.0037313 k( 261) = ( 0.3333333 0.5773503 0.4528973), wk = 0.0037313 k( 262) = ( 0.3333333 0.5773503 0.4717680), wk = 0.0037313 k( 263) = ( 0.3333333 0.5773503 0.4906387), wk = 0.0037313 k( 264) = ( 0.3333333 0.5773503 0.5095095), wk = 0.0037313 k( 265) = ( 0.3333333 0.5773503 0.5283802), wk = 0.0037313 k( 266) = ( 0.3333333 0.5773503 0.5472509), wk = 0.0037313 k( 267) = ( 0.3333333 0.5773503 0.5661216), wk = 0.0037313 k( 268) = ( 0.3333333 0.5773503 0.5849923), wk = 0.0037313 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 2) = ( 0.0166667 0.0000000 -0.0000000), wk = 0.0037313 k( 3) = ( 0.0333333 -0.0000000 -0.0000000), wk = 0.0037313 k( 4) = ( 0.0500000 0.0000000 -0.0000000), wk = 0.0037313 k( 5) = ( 0.0666667 0.0000000 -0.0000000), wk = 0.0037313 k( 6) = ( 0.0833333 -0.0000000 0.0000000), wk = 0.0037313 k( 7) = ( 0.1000000 0.0000000 -0.0000000), wk = 0.0037313 k( 8) = ( 0.1166667 0.0000000 -0.0000000), wk = 0.0037313 k( 9) = ( 0.1333333 0.0000000 -0.0000000), wk = 0.0037313 k( 10) = ( 0.1500000 -0.0000000 -0.0000000), wk = 0.0037313 k( 11) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0037313 k( 12) = ( 0.1833333 -0.0000000 -0.0000000), wk = 0.0037313 k( 13) = ( 0.2000000 0.0000000 -0.0000000), wk = 0.0037313 k( 14) = ( 0.2166667 0.0000000 0.0000000), wk = 0.0037313 k( 15) = ( 0.2333333 -0.0000000 0.0000000), wk = 0.0037313 k( 16) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0037313 k( 17) = ( 0.2666667 0.0000000 -0.0000000), wk = 0.0037313 k( 18) = ( 0.2833333 0.0000000 0.0000000), wk = 0.0037313 k( 19) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0037313 k( 20) = ( 0.3166667 -0.0000000 -0.0000000), wk = 0.0037313 k( 21) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0037313 k( 22) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0037313 k( 23) = ( 0.3666667 -0.0000000 0.0000000), wk = 0.0037313 k( 24) = ( 0.3833333 0.0000000 -0.0000000), wk = 0.0037313 k( 25) = ( 0.4000000 0.0000000 -0.0000000), wk = 0.0037313 k( 26) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0037313 k( 27) = ( 0.4333333 -0.0000000 0.0000000), wk = 0.0037313 k( 28) = ( 0.4500000 -0.0000000 -0.0000000), wk = 0.0037313 k( 29) = ( 0.4666667 -0.0000000 0.0000000), wk = 0.0037313 k( 30) = ( 0.4833333 -0.0000000 -0.0000000), wk = 0.0037313 k( 31) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0037313 k( 32) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0037313 k( 33) = ( 0.4907407 0.0185185 -0.0000000), wk = 0.0037313 k( 34) = ( 0.4814815 0.0370370 -0.0000000), wk = 0.0037313 k( 35) = ( 0.4722222 0.0555556 -0.0000000), wk = 0.0037313 k( 36) = ( 0.4629630 0.0740741 -0.0000000), wk = 0.0037313 k( 37) = ( 0.4537037 0.0925926 -0.0000000), wk = 0.0037313 k( 38) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0037313 k( 39) = ( 0.4351852 0.1296296 -0.0000000), wk = 0.0037313 k( 40) = ( 0.4259259 0.1481481 -0.0000000), wk = 0.0037313 k( 41) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0037313 k( 42) = ( 0.4074074 0.1851852 0.0000000), wk = 0.0037313 k( 43) = ( 0.3981481 0.2037037 -0.0000000), wk = 0.0037313 k( 44) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0037313 k( 45) = ( 0.3796296 0.2407407 -0.0000000), wk = 0.0037313 k( 46) = ( 0.3703704 0.2592593 -0.0000000), wk = 0.0037313 k( 47) = ( 0.3611111 0.2777778 -0.0000000), wk = 0.0037313 k( 48) = ( 0.3518519 0.2962963 0.0000000), wk = 0.0037313 k( 49) = ( 0.3425926 0.3148148 -0.0000000), wk = 0.0037313 k( 50) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0037313 k( 51) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0037313 k( 52) = ( 0.3238095 0.3238095 0.0000000), wk = 0.0037313 k( 53) = ( 0.3142857 0.3142857 -0.0000000), wk = 0.0037313 k( 54) = ( 0.3047619 0.3047619 -0.0000000), wk = 0.0037313 k( 55) = ( 0.2952381 0.2952381 -0.0000000), wk = 0.0037313 k( 56) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0037313 k( 57) = ( 0.2761905 0.2761905 0.0000000), wk = 0.0037313 k( 58) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0037313 k( 59) = ( 0.2571429 0.2571429 -0.0000000), wk = 0.0037313 k( 60) = ( 0.2476191 0.2476190 -0.0000000), wk = 0.0037313 k( 61) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0037313 k( 62) = ( 0.2285714 0.2285714 -0.0000000), wk = 0.0037313 k( 63) = ( 0.2190476 0.2190476 0.0000000), wk = 0.0037313 k( 64) = ( 0.2095238 0.2095238 -0.0000000), wk = 0.0037313 k( 65) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0037313 k( 66) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0037313 k( 67) = ( 0.1809524 0.1809524 -0.0000000), wk = 0.0037313 k( 68) = ( 0.1714286 0.1714286 0.0000000), wk = 0.0037313 k( 69) = ( 0.1619048 0.1619048 0.0000000), wk = 0.0037313 k( 70) = ( 0.1523809 0.1523809 -0.0000000), wk = 0.0037313 k( 71) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0037313 k( 72) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0037313 k( 73) = ( 0.1238095 0.1238095 -0.0000000), wk = 0.0037313 k( 74) = ( 0.1142857 0.1142857 0.0000000), wk = 0.0037313 k( 75) = ( 0.1047619 0.1047619 0.0000000), wk = 0.0037313 k( 76) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0037313 k( 77) = ( 0.0857143 0.0857143 -0.0000000), wk = 0.0037313 k( 78) = ( 0.0761905 0.0761905 -0.0000000), wk = 0.0037313 k( 79) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0037313 k( 80) = ( 0.0571429 0.0571429 0.0000000), wk = 0.0037313 k( 81) = ( 0.0476191 0.0476191 -0.0000000), wk = 0.0037313 k( 82) = ( 0.0380952 0.0380952 -0.0000000), wk = 0.0037313 k( 83) = ( 0.0285714 0.0285714 0.0000000), wk = 0.0037313 k( 84) = ( 0.0190476 0.0190476 -0.0000000), wk = 0.0037313 k( 85) = ( 0.0095238 0.0095238 -0.0000000), wk = 0.0037313 k( 86) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 87) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037313 k( 88) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0037313 k( 89) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0037313 k( 90) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0037313 k( 91) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0037313 k( 92) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0037313 k( 93) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0037313 k( 94) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0037313 k( 95) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0037313 k( 96) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0037313 k( 97) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0037313 k( 98) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0037313 k( 99) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0037313 k( 100) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0037313 k( 101) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0037313 k( 102) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0037313 k( 103) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0037313 k( 104) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0037313 k( 105) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0037313 k( 106) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0037313 k( 107) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0037313 k( 108) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0037313 k( 109) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0037313 k( 110) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0037313 k( 111) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0037313 k( 112) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0037313 k( 113) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0037313 k( 114) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0037313 k( 115) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0037313 k( 116) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0037313 k( 117) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0037313 k( 118) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037313 k( 119) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037313 k( 120) = ( 0.0166667 0.0000000 0.5000000), wk = 0.0037313 k( 121) = ( 0.0333333 -0.0000000 0.5000000), wk = 0.0037313 k( 122) = ( 0.0500000 0.0000000 0.5000000), wk = 0.0037313 k( 123) = ( 0.0666667 0.0000000 0.5000000), wk = 0.0037313 k( 124) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0037313 k( 125) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0037313 k( 126) = ( 0.1166667 0.0000000 0.5000000), wk = 0.0037313 k( 127) = ( 0.1333333 0.0000000 0.5000000), wk = 0.0037313 k( 128) = ( 0.1500000 -0.0000000 0.5000000), wk = 0.0037313 k( 129) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0037313 k( 130) = ( 0.1833333 -0.0000000 0.5000000), wk = 0.0037313 k( 131) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0037313 k( 132) = ( 0.2166667 0.0000000 0.5000000), wk = 0.0037313 k( 133) = ( 0.2333333 -0.0000000 0.5000000), wk = 0.0037313 k( 134) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0037313 k( 135) = ( 0.2666667 0.0000000 0.5000000), wk = 0.0037313 k( 136) = ( 0.2833333 0.0000000 0.5000000), wk = 0.0037313 k( 137) = ( 0.3000000 -0.0000000 0.5000000), wk = 0.0037313 k( 138) = ( 0.3166667 -0.0000000 0.5000000), wk = 0.0037313 k( 139) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0037313 k( 140) = ( 0.3500000 -0.0000000 0.5000000), wk = 0.0037313 k( 141) = ( 0.3666667 -0.0000000 0.5000000), wk = 0.0037313 k( 142) = ( 0.3833333 0.0000000 0.5000000), wk = 0.0037313 k( 143) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0037313 k( 144) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0037313 k( 145) = ( 0.4333333 -0.0000000 0.5000000), wk = 0.0037313 k( 146) = ( 0.4500000 -0.0000000 0.5000000), wk = 0.0037313 k( 147) = ( 0.4666667 -0.0000000 0.5000000), wk = 0.0037313 k( 148) = ( 0.4833333 -0.0000000 0.5000000), wk = 0.0037313 k( 149) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0037313 k( 150) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0037313 k( 151) = ( 0.4907407 0.0185185 0.5000000), wk = 0.0037313 k( 152) = ( 0.4814815 0.0370370 0.5000000), wk = 0.0037313 k( 153) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0037313 k( 154) = ( 0.4629630 0.0740741 0.5000000), wk = 0.0037313 k( 155) = ( 0.4537037 0.0925926 0.5000000), wk = 0.0037313 k( 156) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0037313 k( 157) = ( 0.4351852 0.1296296 0.5000000), wk = 0.0037313 k( 158) = ( 0.4259259 0.1481481 0.5000000), wk = 0.0037313 k( 159) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0037313 k( 160) = ( 0.4074074 0.1851852 0.5000000), wk = 0.0037313 k( 161) = ( 0.3981481 0.2037037 0.5000000), wk = 0.0037313 k( 162) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0037313 k( 163) = ( 0.3796296 0.2407407 0.5000000), wk = 0.0037313 k( 164) = ( 0.3703704 0.2592593 0.5000000), wk = 0.0037313 k( 165) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0037313 k( 166) = ( 0.3518519 0.2962963 0.5000000), wk = 0.0037313 k( 167) = ( 0.3425926 0.3148148 0.5000000), wk = 0.0037313 k( 168) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0037313 k( 169) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0037313 k( 170) = ( 0.3238095 0.3238095 0.5000000), wk = 0.0037313 k( 171) = ( 0.3142857 0.3142857 0.5000000), wk = 0.0037313 k( 172) = ( 0.3047619 0.3047619 0.5000000), wk = 0.0037313 k( 173) = ( 0.2952381 0.2952381 0.5000000), wk = 0.0037313 k( 174) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0037313 k( 175) = ( 0.2761905 0.2761905 0.5000000), wk = 0.0037313 k( 176) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0037313 k( 177) = ( 0.2571429 0.2571429 0.5000000), wk = 0.0037313 k( 178) = ( 0.2476191 0.2476190 0.5000000), wk = 0.0037313 k( 179) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0037313 k( 180) = ( 0.2285714 0.2285714 0.5000000), wk = 0.0037313 k( 181) = ( 0.2190476 0.2190476 0.5000000), wk = 0.0037313 k( 182) = ( 0.2095238 0.2095238 0.5000000), wk = 0.0037313 k( 183) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0037313 k( 184) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0037313 k( 185) = ( 0.1809524 0.1809524 0.5000000), wk = 0.0037313 k( 186) = ( 0.1714286 0.1714286 0.5000000), wk = 0.0037313 k( 187) = ( 0.1619048 0.1619048 0.5000000), wk = 0.0037313 k( 188) = ( 0.1523809 0.1523809 0.5000000), wk = 0.0037313 k( 189) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0037313 k( 190) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0037313 k( 191) = ( 0.1238095 0.1238095 0.5000000), wk = 0.0037313 k( 192) = ( 0.1142857 0.1142857 0.5000000), wk = 0.0037313 k( 193) = ( 0.1047619 0.1047619 0.5000000), wk = 0.0037313 k( 194) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0037313 k( 195) = ( 0.0857143 0.0857143 0.5000000), wk = 0.0037313 k( 196) = ( 0.0761905 0.0761905 0.5000000), wk = 0.0037313 k( 197) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0037313 k( 198) = ( 0.0571429 0.0571429 0.5000000), wk = 0.0037313 k( 199) = ( 0.0476191 0.0476191 0.5000000), wk = 0.0037313 k( 200) = ( 0.0380952 0.0380952 0.5000000), wk = 0.0037313 k( 201) = ( 0.0285714 0.0285714 0.5000000), wk = 0.0037313 k( 202) = ( 0.0190476 0.0190476 0.5000000), wk = 0.0037313 k( 203) = ( 0.0095238 0.0095238 0.5000000), wk = 0.0037313 k( 204) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037313 k( 205) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0037313 k( 206) = ( 0.5000000 0.0000000 0.4838710), wk = 0.0037313 k( 207) = ( 0.5000000 0.0000000 0.4677419), wk = 0.0037313 k( 208) = ( 0.5000000 0.0000000 0.4516129), wk = 0.0037313 k( 209) = ( 0.5000000 0.0000000 0.4354839), wk = 0.0037313 k( 210) = ( 0.5000000 0.0000000 0.4193548), wk = 0.0037313 k( 211) = ( 0.5000000 0.0000000 0.4032258), wk = 0.0037313 k( 212) = ( 0.5000000 0.0000000 0.3870968), wk = 0.0037313 k( 213) = ( 0.5000000 0.0000000 0.3709677), wk = 0.0037313 k( 214) = ( 0.5000000 0.0000000 0.3548387), wk = 0.0037313 k( 215) = ( 0.5000000 0.0000000 0.3387097), wk = 0.0037313 k( 216) = ( 0.5000000 0.0000000 0.3225807), wk = 0.0037313 k( 217) = ( 0.5000000 0.0000000 0.3064516), wk = 0.0037313 k( 218) = ( 0.5000000 0.0000000 0.2903226), wk = 0.0037313 k( 219) = ( 0.5000000 0.0000000 0.2741936), wk = 0.0037313 k( 220) = ( 0.5000000 0.0000000 0.2580645), wk = 0.0037313 k( 221) = ( 0.5000000 0.0000000 0.2419355), wk = 0.0037313 k( 222) = ( 0.5000000 0.0000000 0.2258065), wk = 0.0037313 k( 223) = ( 0.5000000 0.0000000 0.2096774), wk = 0.0037313 k( 224) = ( 0.5000000 0.0000000 0.1935484), wk = 0.0037313 k( 225) = ( 0.5000000 0.0000000 0.1774194), wk = 0.0037313 k( 226) = ( 0.5000000 0.0000000 0.1612903), wk = 0.0037313 k( 227) = ( 0.5000000 0.0000000 0.1451613), wk = 0.0037313 k( 228) = ( 0.5000000 0.0000000 0.1290323), wk = 0.0037313 k( 229) = ( 0.5000000 0.0000000 0.1129032), wk = 0.0037313 k( 230) = ( 0.5000000 0.0000000 0.0967742), wk = 0.0037313 k( 231) = ( 0.5000000 0.0000000 0.0806452), wk = 0.0037313 k( 232) = ( 0.5000000 0.0000000 0.0645161), wk = 0.0037313 k( 233) = ( 0.5000000 0.0000000 0.0483871), wk = 0.0037313 k( 234) = ( 0.5000000 0.0000000 0.0322581), wk = 0.0037313 k( 235) = ( 0.5000000 0.0000000 0.0161290), wk = 0.0037313 k( 236) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0037313 k( 237) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0037313 k( 238) = ( 0.3333333 0.3333333 0.0161290), wk = 0.0037313 k( 239) = ( 0.3333333 0.3333333 0.0322581), wk = 0.0037313 k( 240) = ( 0.3333333 0.3333333 0.0483871), wk = 0.0037313 k( 241) = ( 0.3333333 0.3333333 0.0645161), wk = 0.0037313 k( 242) = ( 0.3333333 0.3333333 0.0806452), wk = 0.0037313 k( 243) = ( 0.3333333 0.3333333 0.0967742), wk = 0.0037313 k( 244) = ( 0.3333333 0.3333333 0.1129032), wk = 0.0037313 k( 245) = ( 0.3333333 0.3333333 0.1290323), wk = 0.0037313 k( 246) = ( 0.3333333 0.3333333 0.1451613), wk = 0.0037313 k( 247) = ( 0.3333333 0.3333333 0.1612903), wk = 0.0037313 k( 248) = ( 0.3333333 0.3333333 0.1774194), wk = 0.0037313 k( 249) = ( 0.3333333 0.3333333 0.1935484), wk = 0.0037313 k( 250) = ( 0.3333333 0.3333333 0.2096774), wk = 0.0037313 k( 251) = ( 0.3333333 0.3333333 0.2258064), wk = 0.0037313 k( 252) = ( 0.3333333 0.3333333 0.2419355), wk = 0.0037313 k( 253) = ( 0.3333333 0.3333333 0.2580645), wk = 0.0037313 k( 254) = ( 0.3333333 0.3333333 0.2741936), wk = 0.0037313 k( 255) = ( 0.3333333 0.3333333 0.2903226), wk = 0.0037313 k( 256) = ( 0.3333333 0.3333333 0.3064516), wk = 0.0037313 k( 257) = ( 0.3333333 0.3333333 0.3225807), wk = 0.0037313 k( 258) = ( 0.3333333 0.3333333 0.3387097), wk = 0.0037313 k( 259) = ( 0.3333333 0.3333333 0.3548387), wk = 0.0037313 k( 260) = ( 0.3333333 0.3333333 0.3709677), wk = 0.0037313 k( 261) = ( 0.3333333 0.3333333 0.3870968), wk = 0.0037313 k( 262) = ( 0.3333333 0.3333333 0.4032258), wk = 0.0037313 k( 263) = ( 0.3333333 0.3333333 0.4193548), wk = 0.0037313 k( 264) = ( 0.3333333 0.3333333 0.4354839), wk = 0.0037313 k( 265) = ( 0.3333333 0.3333333 0.4516129), wk = 0.0037313 k( 266) = ( 0.3333333 0.3333333 0.4677419), wk = 0.0037313 k( 267) = ( 0.3333333 0.3333333 0.4838710), wk = 0.0037313 k( 268) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0037313 Dense grid: 168125 G-vectors FFT dimensions: ( 75, 75, 72) Smooth grid: 41951 G-vectors FFT dimensions: ( 48, 48, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.29 Mb ( 302, 64) NL pseudopotentials 0.38 Mb ( 151, 164) Each V/rho on FFT grid 0.17 Mb ( 11250) Each G-vector array 0.04 Mb ( 4672) G-vector shells 0.02 Mb ( 2147) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.18 Mb ( 302, 256) Each subspace H/S matrix 0.06 Mb ( 64, 64) Each matrix 0.32 Mb ( 164, 2, 64) The potential is recalculated from file : ./RbAu3Se2.save/charge-density.dat Starting wfc are 86 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 4.5 secs Computing kpt #: 3 total cpu time spent up to now is 5.4 secs Computing kpt #: 4 total cpu time spent up to now is 6.3 secs Computing kpt #: 5 total cpu time spent up to now is 7.2 secs Computing kpt #: 6 total cpu time spent up to now is 8.1 secs Computing kpt #: 7 total cpu time spent up to now is 9.0 secs Computing kpt #: 8 total cpu time spent up to now is 9.9 secs Computing kpt #: 9 total cpu time spent up to now is 10.8 secs Computing kpt #: 10 total cpu time spent up to now is 11.8 secs Computing kpt #: 11 total cpu time spent up to now is 12.7 secs Computing kpt #: 12 total cpu time spent up to now is 13.6 secs Computing kpt #: 13 total cpu time spent up to now is 14.6 secs Computing kpt #: 14 total cpu time spent up to now is 15.6 secs Computing kpt #: 15 total cpu time spent up to now is 16.5 secs Computing kpt #: 16 total cpu time spent up to now is 17.5 secs Computing kpt #: 17 total cpu time spent up to now is 18.4 secs Computing kpt #: 18 total cpu time spent up to now is 19.3 secs Computing kpt #: 19 total cpu time spent up to now is 20.3 secs Computing kpt #: 20 total cpu time spent up to now is 21.2 secs Computing kpt #: 21 total cpu time spent up to now is 22.2 secs Computing kpt #: 22 total cpu time spent up to now is 23.2 secs Computing kpt #: 23 total cpu time spent up to now is 24.1 secs Computing kpt #: 24 total cpu time spent up to now is 25.1 secs Computing kpt #: 25 total cpu time spent up to now is 26.0 secs Computing kpt #: 26 total cpu time spent up to now is 27.0 secs Computing kpt #: 27 total cpu time spent up to now is 27.9 secs Computing kpt #: 28 total cpu time spent up to now is 28.9 secs Computing kpt #: 29 total cpu time spent up to now is 29.9 secs Computing kpt #: 30 total cpu time spent up to now is 30.8 secs Computing kpt #: 31 total cpu time spent up to now is 31.8 secs Computing kpt #: 32 total cpu time spent up to now is 32.7 secs Computing kpt #: 33 total cpu time spent up to now is 33.7 secs Computing kpt #: 34 total cpu time spent up to now is 34.6 secs Computing kpt #: 35 total cpu time spent up to now is 35.6 secs Computing kpt #: 36 total cpu time spent up to now is 36.6 secs Computing kpt #: 37 total cpu time spent up to now is 37.5 secs Computing kpt #: 38 total cpu time spent up to now is 38.5 secs Computing kpt #: 39 total cpu time spent up to now is 39.4 secs Computing kpt #: 40 total cpu time spent up to now is 40.4 secs Computing kpt #: 41 total cpu time spent up to now is 41.4 secs Computing kpt #: 42 total cpu time spent up to now is 42.3 secs Computing kpt #: 43 total cpu time spent up to now is 43.3 secs Computing kpt #: 44 total cpu time spent up to now is 44.3 secs Computing kpt #: 45 total cpu time spent up to now is 45.2 secs Computing kpt #: 46 total cpu time spent up to now is 46.2 secs Computing kpt #: 47 total cpu time spent up to now is 47.2 secs Computing kpt #: 48 total cpu time spent up to now is 48.2 secs Computing kpt #: 49 total cpu time spent up to now is 49.2 secs Computing kpt #: 50 total cpu time spent up to now is 50.1 secs Computing kpt #: 51 total cpu time spent up to now is 51.1 secs Computing kpt #: 52 total cpu time spent up to now is 52.1 secs Computing kpt #: 53 total cpu time spent up to now is 53.1 secs Computing kpt #: 54 total cpu time spent up to now is 54.1 secs Computing kpt #: 55 total cpu time spent up to now is 55.0 secs Computing kpt #: 56 total cpu time spent up to now is 56.0 secs Computing kpt #: 57 total cpu time spent up to now is 56.9 secs Computing kpt #: 58 total cpu time spent up to now is 57.8 secs Computing kpt #: 59 total cpu time spent up to now is 58.7 secs Computing kpt #: 60 total cpu time spent up to now is 59.5 secs Computing kpt #: 61 total cpu time spent up to now is 60.3 secs Computing kpt #: 62 total cpu time spent up to now is 61.2 secs Computing kpt #: 63 total cpu time spent up to now is 62.0 secs Computing kpt #: 64 total cpu time spent up to now is 62.8 secs Computing kpt #: 65 total cpu time spent up to now is 63.7 secs Computing kpt #: 66 total cpu time spent up to now is 64.5 secs Computing kpt #: 67 total cpu time spent up to now is 65.4 secs Computing kpt #: 68 total cpu time spent up to now is 66.2 secs Computing kpt #: 69 total cpu time spent up to now is 67.1 secs Computing kpt #: 70 total cpu time spent up to now is 67.9 secs Computing kpt #: 71 total cpu time spent up to now is 68.7 secs Computing kpt #: 72 total cpu time spent up to now is 69.6 secs Computing kpt #: 73 total cpu time spent up to now is 70.4 secs Computing kpt #: 74 total cpu time spent up to now is 71.3 secs Computing kpt #: 75 total cpu time spent up to now is 72.1 secs Computing kpt #: 76 total cpu time spent up to now is 73.0 secs Computing kpt #: 77 total cpu time spent up to now is 73.8 secs Computing kpt #: 78 total cpu time spent up to now is 74.6 secs Computing kpt #: 79 total cpu time spent up to now is 75.5 secs Computing kpt #: 80 total cpu time spent up to now is 76.4 secs Computing kpt #: 81 total cpu time spent up to now is 77.3 secs Computing kpt #: 82 total cpu time spent up to now is 78.2 secs Computing kpt #: 83 total cpu time spent up to now is 79.1 secs Computing kpt #: 84 total cpu time spent up to now is 80.0 secs Computing kpt #: 85 total cpu time spent up to now is 81.0 secs Computing kpt #: 86 total cpu time spent up to now is 81.9 secs Computing kpt #: 87 total cpu time spent up to now is 82.8 secs Computing kpt #: 88 total cpu time spent up to now is 83.7 secs Computing kpt #: 89 total cpu time spent up to now is 84.6 secs Computing kpt #: 90 total cpu time spent up to now is 85.5 secs Computing kpt #: 91 total cpu time spent up to now is 86.4 secs Computing kpt #: 92 total cpu time spent up to now is 87.3 secs Computing kpt #: 93 total cpu time spent up to now is 88.3 secs Computing kpt #: 94 total cpu time spent up to now is 89.2 secs Computing kpt #: 95 total cpu time spent up to now is 90.1 secs Computing kpt #: 96 total cpu time spent up to now is 91.1 secs Computing kpt #: 97 total cpu time spent up to now is 92.0 secs Computing kpt #: 98 total cpu time spent up to now is 93.0 secs Computing kpt #: 99 total cpu time spent up to now is 94.0 secs Computing kpt #: 100 total cpu time spent up to now is 95.0 secs Computing kpt #: 101 total cpu time spent up to now is 96.0 secs Computing kpt #: 102 total cpu time spent up to now is 97.0 secs Computing kpt #: 103 total cpu time spent up to now is 97.9 secs Computing kpt #: 104 total cpu time spent up to now is 98.9 secs Computing kpt #: 105 total cpu time spent up to now is 99.8 secs Computing kpt #: 106 total cpu time spent up to now is 100.7 secs Computing kpt #: 107 total cpu time spent up to now is 101.6 secs Computing kpt #: 108 total cpu time spent up to now is 102.4 secs Computing kpt #: 109 total cpu time spent up to now is 103.3 secs Computing kpt #: 110 total cpu time spent up to now is 104.1 secs Computing kpt #: 111 total cpu time spent up to now is 104.9 secs Computing kpt #: 112 total cpu time spent up to now is 105.7 secs Computing kpt #: 113 total cpu time spent up to now is 106.5 secs Computing kpt #: 114 total cpu time spent up to now is 107.3 secs Computing kpt #: 115 total cpu time spent up to now is 108.1 secs Computing kpt #: 116 total cpu time spent up to now is 108.9 secs Computing kpt #: 117 total cpu time spent up to now is 109.7 secs Computing kpt #: 118 total cpu time spent up to now is 110.5 secs Computing kpt #: 119 total cpu time spent up to now is 111.3 secs Computing kpt #: 120 total cpu time spent up to now is 112.1 secs Computing kpt #: 121 total cpu time spent up to now is 112.9 secs Computing kpt #: 122 total cpu time spent up to now is 113.7 secs Computing kpt #: 123 total cpu time spent up to now is 114.5 secs Computing kpt #: 124 total cpu time spent up to now is 115.4 secs Computing kpt #: 125 total cpu time spent up to now is 116.2 secs Computing kpt #: 126 total cpu time spent up to now is 117.1 secs Computing kpt #: 127 total cpu time spent up to now is 118.0 secs Computing kpt #: 128 total cpu time spent up to now is 119.0 secs Computing kpt #: 129 total cpu time spent up to now is 119.9 secs Computing kpt #: 130 total cpu time spent up to now is 120.8 secs Computing kpt #: 131 total cpu time spent up to now is 121.8 secs Computing kpt #: 132 total cpu time spent up to now is 122.8 secs Computing kpt #: 133 total cpu time spent up to now is 123.7 secs Computing kpt #: 134 total cpu time spent up to now is 124.7 secs Computing kpt #: 135 total cpu time spent up to now is 125.7 secs Computing kpt #: 136 total cpu time spent up to now is 126.6 secs Computing kpt #: 137 total cpu time spent up to now is 127.6 secs Computing kpt #: 138 total cpu time spent up to now is 128.5 secs Computing kpt #: 139 total cpu time spent up to now is 129.5 secs Computing kpt #: 140 total cpu time spent up to now is 130.5 secs Computing kpt #: 141 total cpu time spent up to now is 131.5 secs Computing kpt #: 142 total cpu time spent up to now is 132.5 secs Computing kpt #: 143 total cpu time spent up to now is 133.5 secs Computing kpt #: 144 total cpu time spent up to now is 134.7 secs Computing kpt #: 145 total cpu time spent up to now is 135.9 secs Computing kpt #: 146 total cpu time spent up to now is 137.2 secs Computing kpt #: 147 total cpu time spent up to now is 138.6 secs Computing kpt #: 148 total cpu time spent up to now is 140.1 secs Computing kpt #: 149 total cpu time spent up to now is 141.6 secs Computing kpt #: 150 total cpu time spent up to now is 143.2 secs Computing kpt #: 151 total cpu time spent up to now is 144.8 secs Computing kpt #: 152 total cpu time spent up to now is 146.3 secs Computing kpt #: 153 total cpu time spent up to now is 147.8 secs Computing kpt #: 154 total cpu time spent up to now is 149.0 secs Computing kpt #: 155 total cpu time spent up to now is 150.3 secs Computing kpt #: 156 total cpu time spent up to now is 151.5 secs Computing kpt #: 157 total cpu time spent up to now is 152.7 secs Computing kpt #: 158 total cpu time spent up to now is 153.8 secs Computing kpt #: 159 total cpu time spent up to now is 154.8 secs Computing kpt #: 160 total cpu time spent up to now is 155.8 secs Computing kpt #: 161 total cpu time spent up to now is 156.7 secs Computing kpt #: 162 total cpu time spent up to now is 157.7 secs Computing kpt #: 163 total cpu time spent up to now is 158.6 secs Computing kpt #: 164 total cpu time spent up to now is 159.6 secs Computing kpt #: 165 total cpu time spent up to now is 160.5 secs Computing kpt #: 166 total cpu time spent up to now is 161.5 secs Computing kpt #: 167 total cpu time spent up to now is 162.4 secs Computing kpt #: 168 total cpu time spent up to now is 163.3 secs Computing kpt #: 169 total cpu time spent up to now is 164.2 secs Computing kpt #: 170 total cpu time spent up to now is 165.2 secs Computing kpt #: 171 total cpu time spent up to now is 166.1 secs Computing kpt #: 172 total cpu time spent up to now is 167.1 secs Computing kpt #: 173 total cpu time spent up to now is 168.0 secs Computing kpt #: 174 total cpu time spent up to now is 168.9 secs Computing kpt #: 175 total cpu time spent up to now is 169.7 secs Computing kpt #: 176 total cpu time spent up to now is 170.6 secs Computing kpt #: 177 total cpu time spent up to now is 171.5 secs Computing kpt #: 178 total cpu time spent up to now is 172.4 secs Computing kpt #: 179 total cpu time spent up to now is 173.4 secs Computing kpt #: 180 total cpu time spent up to now is 174.3 secs Computing kpt #: 181 total cpu time spent up to now is 175.2 secs Computing kpt #: 182 total cpu time spent up to now is 176.1 secs Computing kpt #: 183 total cpu time spent up to now is 177.1 secs Computing kpt #: 184 total cpu time spent up to now is 178.0 secs Computing kpt #: 185 total cpu time spent up to now is 178.9 secs Computing kpt #: 186 total cpu time spent up to now is 179.9 secs Computing kpt #: 187 total cpu time spent up to now is 180.8 secs Computing kpt #: 188 total cpu time spent up to now is 181.8 secs Computing kpt #: 189 total cpu time spent up to now is 182.7 secs Computing kpt #: 190 total cpu time spent up to now is 183.7 secs Computing kpt #: 191 total cpu time spent up to now is 184.6 secs Computing kpt #: 192 total cpu time spent up to now is 185.6 secs Computing kpt #: 193 total cpu time spent up to now is 186.5 secs Computing kpt #: 194 total cpu time spent up to now is 187.4 secs Computing kpt #: 195 total cpu time spent up to now is 188.4 secs Computing kpt #: 196 total cpu time spent up to now is 189.3 secs Computing kpt #: 197 total cpu time spent up to now is 190.3 secs Computing kpt #: 198 total cpu time spent up to now is 191.1 secs Computing kpt #: 199 total cpu time spent up to now is 191.9 secs Computing kpt #: 200 total cpu time spent up to now is 192.8 secs Computing kpt #: 201 total cpu time spent up to now is 193.6 secs Computing kpt #: 202 total cpu time spent up to now is 194.4 secs Computing kpt #: 203 total cpu time spent up to now is 195.2 secs Computing kpt #: 204 total cpu time spent up to now is 196.0 secs Computing kpt #: 205 total cpu time spent up to now is 197.5 secs Computing kpt #: 206 total cpu time spent up to now is 199.1 secs Computing kpt #: 207 total cpu time spent up to now is 200.6 secs Computing kpt #: 208 total cpu time spent up to now is 202.1 secs Computing kpt #: 209 total cpu time spent up to now is 203.7 secs Computing kpt #: 210 total cpu time spent up to now is 205.6 secs Computing kpt #: 211 total cpu time spent up to now is 207.2 secs Computing kpt #: 212 total cpu time spent up to now is 208.5 secs Computing kpt #: 213 total cpu time spent up to now is 209.7 secs Computing kpt #: 214 total cpu time spent up to now is 210.9 secs Computing kpt #: 215 total cpu time spent up to now is 212.0 secs Computing kpt #: 216 total cpu time spent up to now is 213.1 secs Computing kpt #: 217 total cpu time spent up to now is 214.3 secs Computing kpt #: 218 total cpu time spent up to now is 215.4 secs Computing kpt #: 219 total cpu time spent up to now is 216.4 secs Computing kpt #: 220 total cpu time spent up to now is 217.5 secs Computing kpt #: 221 total cpu time spent up to now is 218.5 secs Computing kpt #: 222 total cpu time spent up to now is 219.6 secs Computing kpt #: 223 total cpu time spent up to now is 220.6 secs Computing kpt #: 224 total cpu time spent up to now is 221.6 secs Computing kpt #: 225 total cpu time spent up to now is 222.6 secs Computing kpt #: 226 total cpu time spent up to now is 223.6 secs Computing kpt #: 227 total cpu time spent up to now is 224.6 secs Computing kpt #: 228 total cpu time spent up to now is 225.6 secs Computing kpt #: 229 total cpu time spent up to now is 226.6 secs Computing kpt #: 230 total cpu time spent up to now is 227.6 secs Computing kpt #: 231 total cpu time spent up to now is 228.5 secs Computing kpt #: 232 total cpu time spent up to now is 229.5 secs Computing kpt #: 233 total cpu time spent up to now is 230.4 secs Computing kpt #: 234 total cpu time spent up to now is 231.4 secs Computing kpt #: 235 total cpu time spent up to now is 232.3 secs Computing kpt #: 236 total cpu time spent up to now is 233.3 secs Computing kpt #: 237 total cpu time spent up to now is 234.2 secs Computing kpt #: 238 total cpu time spent up to now is 235.1 secs Computing kpt #: 239 total cpu time spent up to now is 236.1 secs Computing kpt #: 240 total cpu time spent up to now is 237.0 secs Computing kpt #: 241 total cpu time spent up to now is 238.0 secs Computing kpt #: 242 total cpu time spent up to now is 238.9 secs Computing kpt #: 243 total cpu time spent up to now is 239.8 secs Computing kpt #: 244 total cpu time spent up to now is 240.8 secs Computing kpt #: 245 total cpu time spent up to now is 241.7 secs Computing kpt #: 246 total cpu time spent up to now is 242.6 secs Computing kpt #: 247 total cpu time spent up to now is 243.5 secs Computing kpt #: 248 total cpu time spent up to now is 244.3 secs Computing kpt #: 249 total cpu time spent up to now is 245.2 secs Computing kpt #: 250 total cpu time spent up to now is 246.0 secs Computing kpt #: 251 total cpu time spent up to now is 247.0 secs Computing kpt #: 252 total cpu time spent up to now is 247.8 secs Computing kpt #: 253 total cpu time spent up to now is 248.6 secs Computing kpt #: 254 total cpu time spent up to now is 249.6 secs Computing kpt #: 255 total cpu time spent up to now is 250.5 secs Computing kpt #: 256 total cpu time spent up to now is 251.4 secs Computing kpt #: 257 total cpu time spent up to now is 252.2 secs Computing kpt #: 258 total cpu time spent up to now is 253.1 secs Computing kpt #: 259 total cpu time spent up to now is 254.0 secs Computing kpt #: 260 total cpu time spent up to now is 254.9 secs Computing kpt #: 261 total cpu time spent up to now is 255.9 secs Computing kpt #: 262 total cpu time spent up to now is 256.8 secs Computing kpt #: 263 total cpu time spent up to now is 257.7 secs Computing kpt #: 264 total cpu time spent up to now is 258.6 secs Computing kpt #: 265 total cpu time spent up to now is 259.5 secs Computing kpt #: 266 total cpu time spent up to now is 260.5 secs Computing kpt #: 267 total cpu time spent up to now is 261.4 secs Computing kpt #: 268 total cpu time spent up to now is 262.3 secs ethr = 1.85E-08, avg # of iterations = 26.9 total cpu time spent up to now is 262.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5211 PWs) bands (ev): -19.9835 -19.9835 -7.1201 -7.1201 -5.9900 -5.9900 -4.6898 -4.6898 -3.8368 -3.8368 -3.8068 -3.8068 0.3125 0.3125 0.5166 0.5166 0.7500 0.7500 1.8530 1.8530 2.1152 2.1152 2.2062 2.2062 2.4813 2.4813 3.1258 3.1258 3.4038 3.4038 3.7510 3.7510 3.9588 3.9588 4.0354 4.0354 4.2299 4.2299 4.3490 4.3490 4.4444 4.4444 4.4962 4.4962 4.6213 4.6213 4.7602 4.7602 5.2830 5.2830 6.3388 6.3388 6.5103 6.5103 8.1545 8.1545 9.4322 9.4322 9.8116 9.8116 10.0793 10.0793 10.8289 10.8289 k = 0.0167 0.0096-0.0000 ( 5205 PWs) bands (ev): -19.9835 -19.9835 -7.1196 -7.1196 -5.9908 -5.9908 -4.6898 -4.6898 -3.8368 -3.8368 -3.8068 -3.8068 0.3137 0.3137 0.5177 0.5177 0.7512 0.7512 1.8537 1.8537 2.1153 2.1153 2.2064 2.2064 2.4817 2.4817 3.1252 3.1252 3.4030 3.4030 3.7478 3.7478 3.9528 3.9528 4.0322 4.0322 4.2323 4.2323 4.3476 4.3476 4.4482 4.4482 4.4905 4.4905 4.6242 4.6242 4.7677 4.7677 5.2827 5.2827 6.3355 6.3355 6.5064 6.5064 8.1591 8.1591 9.4340 9.4340 9.8107 9.8107 10.0771 10.0771 10.8313 10.8313 k = 0.0333 0.0192-0.0000 ( 5213 PWs) bands (ev): -19.9835 -19.9835 -7.1180 -7.1180 -5.9932 -5.9932 -4.6898 -4.6898 -3.8367 -3.8367 -3.8069 -3.8069 0.3171 0.3171 0.5209 0.5209 0.7549 0.7549 1.8558 1.8558 2.1157 2.1157 2.2070 2.2070 2.4829 2.4829 3.1235 3.1235 3.4004 3.4004 3.7380 3.7380 3.9366 3.9366 4.0246 4.0246 4.2330 4.2330 4.3495 4.3495 4.4502 4.4502 4.4821 4.4821 4.6327 4.6327 4.7879 4.7879 5.2818 5.2818 6.3256 6.3256 6.4951 6.4951 8.1726 8.1726 9.4393 9.4393 9.8076 9.8076 10.0714 10.0714 10.8379 10.8379 k = 0.0500 0.0289-0.0000 ( 5209 PWs) bands (ev): -19.9835 -19.9835 -7.1154 -7.1154 -5.9971 -5.9971 -4.6898 -4.6898 -3.8366 -3.8366 -3.8071 -3.8071 0.3228 0.3228 0.5263 0.5263 0.7611 0.7611 1.8592 1.8592 2.1164 2.1164 2.2080 2.2080 2.4848 2.4848 3.1206 3.1206 3.3959 3.3959 3.7202 3.7202 3.9153 3.9153 4.0146 4.0146 4.2228 4.2228 4.3625 4.3625 4.4326 4.4326 4.4895 4.4895 4.6464 4.6464 4.8163 4.8163 5.2806 5.2806 6.3082 6.3082 6.4782 6.4782 8.1942 8.1942 9.4480 9.4480 9.8006 9.8006 10.0647 10.0647 10.8477 10.8477 k = 0.0667 0.0385-0.0000 ( 5231 PWs) bands (ev): -19.9835 -19.9835 -7.1117 -7.1117 -6.0027 -6.0027 -4.6898 -4.6898 -3.8365 -3.8365 -3.8074 -3.8074 0.3307 0.3307 0.5337 0.5337 0.7698 0.7698 1.8639 1.8639 2.1172 2.1172 2.2094 2.2094 2.4875 2.4875 3.1164 3.1164 3.3895 3.3895 3.6934 3.6934 3.8945 3.8945 4.0024 4.0024 4.2022 4.2022 4.3793 4.3793 4.4094 4.4094 4.5048 4.5048 4.6648 4.6648 4.8492 4.8492 5.2792 5.2792 6.2825 6.2825 6.4578 6.4578 8.2229 8.2229 9.4595 9.4595 9.7880 9.7880 10.0605 10.0605 10.8593 10.8593 k = 0.0833 0.0481-0.0000 ( 5231 PWs) bands (ev): -19.9835 -19.9835 -7.1070 -7.1070 -6.0097 -6.0097 -4.6897 -4.6897 -3.8363 -3.8363 -3.8077 -3.8077 0.3408 0.3408 0.5431 0.5431 0.7809 0.7809 1.8698 1.8698 2.1181 2.1181 2.2112 2.2112 2.4909 2.4909 3.1109 3.1109 3.3809 3.3809 3.6582 3.6582 3.8775 3.8775 3.9873 3.9873 4.1768 4.1768 4.3650 4.3650 4.4158 4.4158 4.5229 4.5229 4.6873 4.6873 4.8837 4.8837 5.2782 5.2782 6.2480 6.2480 6.4364 6.4364 8.2572 8.2572 9.4734 9.4734 9.7686 9.7686 10.0617 10.0617 10.8718 10.8718 k = 0.1000 0.0577-0.0000 ( 5245 PWs) bands (ev): -19.9835 -19.9835 -7.1013 -7.1013 -6.0183 -6.0183 -4.6897 -4.6897 -3.8361 -3.8361 -3.8080 -3.8080 0.3530 0.3530 0.5545 0.5545 0.7944 0.7944 1.8768 1.8768 2.1190 2.1190 2.2134 2.2134 2.4951 2.4951 3.1038 3.1038 3.3696 3.3696 3.6167 3.6167 3.8647 3.8647 3.9685 3.9685 4.1505 4.1505 4.3348 4.3348 4.4332 4.4332 4.5439 4.5439 4.7127 4.7127 4.9183 4.9183 5.2779 5.2779 6.2051 6.2051 6.4152 6.4152 8.2958 8.2958 9.4884 9.4884 9.7431 9.7431 10.0699 10.0699 10.8847 10.8847 k = 0.1167 0.0674-0.0000 ( 5239 PWs) bands (ev): -19.9835 -19.9835 -7.0946 -7.0946 -6.0284 -6.0284 -4.6896 -4.6896 -3.8358 -3.8358 -3.8084 -3.8084 0.3671 0.3671 0.5678 0.5678 0.8103 0.8103 1.8847 1.8847 2.1198 2.1198 2.2160 2.2160 2.4999 2.4999 3.0950 3.0950 3.3549 3.3549 3.5720 3.5720 3.8555 3.8555 3.9457 3.9457 4.1256 4.1256 4.3037 4.3037 4.4461 4.4461 4.5674 4.5674 4.7400 4.7400 4.9516 4.9516 5.2791 5.2791 6.1553 6.1553 6.3947 6.3947 8.3371 8.3371 9.5028 9.5028 9.7145 9.7145 10.0845 10.0845 10.8982 10.8982 k = 0.1333 0.0770-0.0000 ( 5243 PWs) bands (ev): -19.9834 -19.9834 -7.0869 -7.0869 -6.0399 -6.0399 -4.6894 -4.6894 -3.8355 -3.8355 -3.8087 -3.8087 0.3830 0.3830 0.5829 0.5829 0.8286 0.8286 1.8934 1.8934 2.1203 2.1203 2.2190 2.2190 2.5053 2.5053 3.0843 3.0843 3.3358 3.3358 3.5277 3.5277 3.8487 3.8487 3.9190 3.9190 4.1034 4.1034 4.2730 4.2730 4.4539 4.4539 4.5914 4.5914 4.7682 4.7682 4.9828 4.9828 5.2825 5.2825 6.1006 6.1006 6.3751 6.3751 8.3796 8.3796 9.5131 9.5131 9.6880 9.6880 10.1045 10.1045 10.9126 10.9126 k = 0.1500 0.0866-0.0000 ( 5247 PWs) bands (ev): -19.9834 -19.9834 -7.0783 -7.0783 -6.0528 -6.0528 -4.6893 -4.6893 -3.8352 -3.8352 -3.8090 -3.8090 0.4006 0.4006 0.5997 0.5997 0.8492 0.8492 1.9027 1.9027 2.1204 2.1204 2.2224 2.2224 2.5113 2.5113 3.0715 3.0715 3.3108 3.3108 3.4870 3.4870 3.8433 3.8433 3.8893 3.8893 4.0843 4.0843 4.2433 4.2433 4.4578 4.4578 4.6133 4.6133 4.7962 4.7962 5.0111 5.0111 5.2886 5.2886 6.0434 6.0434 6.3559 6.3559 8.4218 8.4218 9.5142 9.5142 9.6706 9.6706 10.1283 10.1283 10.9285 10.9285 k = 0.1667 0.0962-0.0000 ( 5245 PWs) bands (ev): -19.9834 -19.9834 -7.0686 -7.0686 -6.0670 -6.0670 -4.6890 -4.6890 -3.8350 -3.8350 -3.8092 -3.8092 0.4198 0.4198 0.6182 0.6182 0.8720 0.8720 1.9122 1.9122 2.1198 2.1198 2.2262 2.2262 2.5178 2.5178 3.0561 3.0561 3.2791 3.2791 3.4525 3.4525 3.8365 3.8365 3.8599 3.8599 4.0680 4.0680 4.2144 4.2144 4.4591 4.4591 4.6314 4.6314 4.8233 4.8233 5.0363 5.0363 5.2979 5.2979 5.9857 5.9857 6.3371 6.3371 8.4622 8.4622 9.5022 9.5022 9.6675 9.6675 10.1546 10.1546 10.9461 10.9461 k = 0.1833 0.1058-0.0000 ( 5253 PWs) bands (ev): -19.9834 -19.9834 -7.0581 -7.0581 -6.0825 -6.0825 -4.6888 -4.6888 -3.8347 -3.8347 -3.8092 -3.8092 0.4404 0.4404 0.6382 0.6382 0.8969 0.8969 1.9217 1.9217 2.1186 2.1186 2.2304 2.2304 2.5247 2.5247 3.0376 3.0376 3.2414 3.2414 3.4252 3.4252 3.8149 3.8149 3.8451 3.8451 4.0540 4.0540 4.1864 4.1864 4.4586 4.4586 4.6443 4.6443 4.8483 4.8483 5.0581 5.0581 5.3107 5.3107 5.9298 5.9298 6.3186 6.3186 8.4992 8.4992 9.4807 9.4807 9.6768 9.6768 10.1821 10.1821 10.9659 10.9659 k = 0.2000 0.1155-0.0000 ( 5253 PWs) bands (ev): -19.9834 -19.9834 -7.0467 -7.0467 -6.0991 -6.0991 -4.6884 -4.6884 -3.8345 -3.8345 -3.8091 -3.8091 0.4621 0.4621 0.6598 0.6598 0.9238 0.9238 1.9306 1.9306 2.1167 2.1167 2.2348 2.2348 2.5320 2.5320 3.0151 3.0151 3.2007 3.2007 3.4042 3.4042 3.7822 3.7822 3.8422 3.8422 4.0419 4.0419 4.1592 4.1592 4.4566 4.4566 4.6514 4.6514 4.8702 4.8702 5.0767 5.0767 5.3265 5.3265 5.8779 5.8779 6.3003 6.3003 8.5312 8.5312 9.4565 9.4565 9.6925 9.6925 10.2098 10.2098 10.9882 10.9882 k = 0.2167 0.1251-0.0000 ( 5265 PWs) bands (ev): -19.9833 -19.9833 -7.0344 -7.0344 -6.1169 -6.1169 -4.6880 -4.6880 -3.8343 -3.8343 -3.8089 -3.8089 0.4848 0.4848 0.6828 0.6828 0.9526 0.9526 1.9386 1.9386 2.1140 2.1140 2.2395 2.2395 2.5394 2.5394 2.9873 2.9873 3.1611 3.1611 3.3878 3.3878 3.7482 3.7482 3.8419 3.8419 4.0313 4.0313 4.1327 4.1327 4.4534 4.4534 4.6524 4.6524 4.8877 4.8877 5.0924 5.0924 5.3448 5.3448 5.8320 5.8320 6.2823 6.2823 8.5567 8.5567 9.4350 9.4350 9.7103 9.7103 10.2370 10.2370 11.0130 11.0130 k = 0.2333 0.1347-0.0000 ( 5255 PWs) bands (ev): -19.9833 -19.9833 -7.0213 -7.0213 -6.1355 -6.1355 -4.6876 -4.6876 -3.8342 -3.8342 -3.8084 -3.8084 0.5083 0.5083 0.7072 0.7072 0.9831 0.9831 1.9449 1.9449 2.1108 2.1108 2.2444 2.2444 2.5468 2.5468 2.9528 2.9528 3.1262 3.1262 3.3749 3.3749 3.7148 3.7148 3.8427 3.8427 4.0218 4.0218 4.1071 4.1071 4.4491 4.4491 4.6477 4.6477 4.8993 4.8993 5.1059 5.1059 5.3652 5.3652 5.7940 5.7940 6.2647 6.2647 8.5743 8.5743 9.4192 9.4192 9.7278 9.7278 10.2630 10.2630 11.0407 11.0407 k = 0.2500 0.1443-0.0000 ( 5247 PWs) bands (ev): -19.9833 -19.9833 -7.0075 -7.0075 -6.1551 -6.1551 -4.6871 -4.6871 -3.8342 -3.8342 -3.8078 -3.8078 0.5322 0.5322 0.7330 0.7330 1.0151 1.0151 1.9488 1.9488 2.1075 2.1075 2.2494 2.2494 2.5541 2.5541 2.9115 2.9115 3.0980 3.0980 3.3648 3.3648 3.6824 3.6824 3.8443 3.8443 4.0131 4.0131 4.0825 4.0825 4.4438 4.4438 4.6377 4.6377 4.9034 4.9034 5.1179 5.1179 5.3871 5.3871 5.7652 5.7652 6.2474 6.2474 8.5832 8.5832 9.4107 9.4107 9.7435 9.7435 10.2871 10.2871 11.0714 11.0714 k = 0.2667 0.1540-0.0000 ( 5245 PWs) bands (ev): -19.9833 -19.9833 -6.9930 -6.9930 -6.1753 -6.1753 -4.6866 -4.6866 -3.8342 -3.8342 -3.8069 -3.8069 0.5563 0.5563 0.7602 0.7602 1.0484 1.0484 1.9492 1.9492 2.1045 2.1045 2.2542 2.2542 2.5611 2.5611 2.8646 2.8646 3.0769 3.0769 3.3571 3.3571 3.6514 3.6514 3.8463 3.8463 4.0048 4.0048 4.0595 4.0595 4.4373 4.4373 4.6231 4.6231 4.8988 4.8988 5.1295 5.1295 5.4100 5.4100 5.7459 5.7459 6.2306 6.2306 8.5832 8.5832 9.4099 9.4099 9.7566 9.7566 10.3092 10.3092 11.1054 11.1054 k = 0.2833 0.1636-0.0000 ( 5245 PWs) bands (ev): -19.9832 -19.9832 -6.9780 -6.9780 -6.1962 -6.1962 -4.6860 -4.6860 -3.8344 -3.8344 -3.8059 -3.8059 0.5803 0.5803 0.7886 0.7886 1.0827 1.0827 1.9455 1.9455 2.1025 2.1025 2.2589 2.2589 2.5675 2.5675 2.8141 2.8141 3.0623 3.0623 3.3516 3.3516 3.6220 3.6220 3.8483 3.8483 3.9959 3.9959 4.0390 4.0390 4.4296 4.4296 4.6050 4.6050 4.8854 4.8854 5.1416 5.1416 5.4338 5.4338 5.7357 5.7357 6.2144 6.2144 8.5751 8.5751 9.4160 9.4160 9.7672 9.7672 10.3290 10.3290 11.1432 11.1432 k = 0.3000 0.1732-0.0000 ( 5249 PWs) bands (ev): -19.9832 -19.9832 -6.9624 -6.9624 -6.2174 -6.2174 -4.6854 -4.6854 -3.8346 -3.8346 -3.8047 -3.8047 0.6039 0.6039 0.8182 0.8182 1.1179 1.1179 1.9368 1.9368 2.1020 2.1020 2.2632 2.2632 2.5731 2.5731 2.7620 2.7620 3.0532 3.0532 3.3484 3.3484 3.5941 3.5941 3.8495 3.8495 3.9848 3.9848 4.0233 4.0233 4.4204 4.4204 4.5839 4.5839 4.8643 4.8643 5.1545 5.1545 5.4582 5.4582 5.7332 5.7332 6.1987 6.1987 8.5600 8.5600 9.4273 9.4273 9.7756 9.7756 10.3464 10.3464 11.1850 11.1850 k = 0.3167 0.1828-0.0000 ( 5249 PWs) bands (ev): -19.9832 -19.9832 -6.9465 -6.9465 -6.2389 -6.2389 -4.6848 -4.6848 -3.8349 -3.8349 -3.8034 -3.8034 0.6268 0.6268 0.8488 0.8488 1.1535 1.1535 1.9233 1.9233 2.1031 2.1031 2.2670 2.2670 2.5772 2.5772 2.7102 2.7102 3.0491 3.0491 3.3472 3.3472 3.5680 3.5680 3.8492 3.8492 3.9703 3.9703 4.0142 4.0142 4.4096 4.4096 4.5609 4.5609 4.8377 4.8377 5.1679 5.1679 5.4828 5.4828 5.7368 5.7368 6.1838 6.1838 8.5396 8.5396 9.4416 9.4416 9.7828 9.7828 10.3614 10.3614 11.2311 11.2311 k = 0.3333 0.1925-0.0000 ( 5232 PWs) bands (ev): -19.9832 -19.9832 -6.9303 -6.9303 -6.2604 -6.2604 -4.6842 -4.6842 -3.8352 -3.8352 -3.8020 -3.8020 0.6488 0.6488 0.8804 0.8804 1.1892 1.1892 1.9054 1.9054 2.1055 2.1055 2.2702 2.2702 2.5781 2.5781 2.6615 2.6615 3.0496 3.0496 3.3478 3.3478 3.5437 3.5437 3.8463 3.8463 3.9540 3.9540 4.0110 4.0110 4.3970 4.3970 4.5367 4.5367 4.8081 4.8081 5.1815 5.1815 5.5075 5.5075 5.7446 5.7446 6.1696 6.1696 8.5156 8.5156 9.4567 9.4567 9.7899 9.7899 10.3740 10.3740 11.2813 11.2813 k = 0.3500 0.2021-0.0000 ( 5234 PWs) bands (ev): -19.9832 -19.9832 -6.9140 -6.9140 -6.2816 -6.2816 -4.6836 -4.6836 -3.8355 -3.8355 -3.8006 -3.8006 0.6696 0.6696 0.9126 0.9126 1.2246 1.2246 1.8837 1.8837 2.1089 2.1089 2.2724 2.2724 2.5685 2.5685 2.6241 2.6241 3.0543 3.0543 3.3497 3.3497 3.5218 3.5218 3.8394 3.8394 3.9381 3.9381 4.0125 4.0125 4.3822 4.3822 4.5121 4.5121 4.7779 4.7779 5.1949 5.1949 5.5316 5.5316 5.7551 5.7551 6.1562 6.1562 8.4895 8.4895 9.4703 9.4703 9.7983 9.7983 10.3846 10.3846 11.3350 11.3350 k = 0.3667 0.2117-0.0000 ( 5236 PWs) bands (ev): -19.9832 -19.9832 -6.8979 -6.8979 -6.3024 -6.3024 -4.6830 -4.6830 -3.8358 -3.8358 -3.7991 -3.7991 0.6889 0.6889 0.9452 0.9452 1.2592 1.2592 1.8593 1.8593 2.1128 2.1128 2.2735 2.2735 2.5372 2.5372 2.6099 2.6099 3.0629 3.0629 3.3517 3.3517 3.5036 3.5036 3.8278 3.8278 3.9243 3.9243 4.0178 4.0178 4.3654 4.3654 4.4877 4.4877 4.7488 4.7488 5.2075 5.2075 5.5550 5.5550 5.7668 5.7668 6.1439 6.1439 8.4628 8.4628 9.4808 9.4808 9.8089 9.8089 10.3932 10.3932 11.3910 11.3910 k = 0.3833 0.2213-0.0000 ( 5234 PWs) bands (ev): -19.9831 -19.9831 -6.8822 -6.8822 -6.3224 -6.3224 -4.6825 -4.6825 -3.8361 -3.8361 -3.7978 -3.7978 0.7065 0.7065 0.9775 0.9775 1.2924 1.2924 1.8334 1.8334 2.1170 2.1170 2.2733 2.2733 2.4965 2.4965 2.6079 2.6079 3.0749 3.0749 3.3515 3.3515 3.4911 3.4911 3.8110 3.8110 3.9129 3.9129 4.0265 4.0265 4.3468 4.3468 4.4641 4.4641 4.7224 4.7224 5.2193 5.2193 5.5772 5.5772 5.7787 5.7787 6.1327 6.1327 8.4366 8.4366 9.4875 9.4875 9.8221 9.8221 10.4003 10.4003 11.4476 11.4476 k = 0.4000 0.2309-0.0000 ( 5236 PWs) bands (ev): -19.9831 -19.9831 -6.8673 -6.8673 -6.3412 -6.3412 -4.6820 -4.6820 -3.8364 -3.8364 -3.7965 -3.7965 0.7223 0.7223 1.0092 1.0092 1.3234 1.3234 1.8069 1.8069 2.1213 2.1213 2.2714 2.2714 2.4568 2.4568 2.6084 2.6084 3.0898 3.0898 3.3466 3.3466 3.4867 3.4867 3.7898 3.7898 3.9038 3.9038 4.0380 4.0380 4.3266 4.3266 4.4418 4.4418 4.6995 4.6995 5.2297 5.2297 5.5979 5.5979 5.7900 5.7900 6.1227 6.1227 8.4119 8.4119 9.4906 9.4906 9.8374 9.8374 10.4059 10.4059 11.5020 11.5020 k = 0.4167 0.2406-0.0000 ( 5236 PWs) bands (ev): -19.9831 -19.9831 -6.8534 -6.8534 -6.3583 -6.3583 -4.6815 -4.6815 -3.8367 -3.8367 -3.7954 -3.7954 0.7359 0.7359 1.0392 1.0392 1.3515 1.3515 1.7812 1.7812 2.1255 2.1255 2.2674 2.2674 2.4216 2.4216 2.6095 2.6095 3.1074 3.1074 3.3354 3.3354 3.4919 3.4919 3.7650 3.7650 3.8964 3.8964 4.0520 4.0520 4.3055 4.3055 4.4216 4.4216 4.6806 4.6806 5.2389 5.2389 5.6165 5.6165 5.7999 5.7999 6.1141 6.1141 8.3896 8.3896 9.4907 9.4907 9.8537 9.8537 10.4103 10.4103 11.5509 11.5509 k = 0.4333 0.2502-0.0000 ( 5240 PWs) bands (ev): -19.9831 -19.9831 -6.8411 -6.8411 -6.3735 -6.3735 -4.6812 -4.6812 -3.8369 -3.8369 -3.7944 -3.7944 0.7474 0.7474 1.0667 1.0667 1.3757 1.3757 1.7577 1.7577 2.1295 2.1295 2.2610 2.2610 2.3929 2.3929 2.6106 2.6106 3.1269 3.1269 3.3187 3.3187 3.5057 3.5057 3.7373 3.7373 3.8905 3.8905 4.0675 4.0675 4.2841 4.2841 4.4039 4.4039 4.6656 4.6656 5.2465 5.2465 5.6327 5.6327 5.8081 5.8081 6.1070 6.1070 8.3704 8.3704 9.4890 9.4890 9.8695 9.8695 10.4138 10.4138 11.5909 11.5909 k = 0.4500 0.2598-0.0000 ( 5240 PWs) bands (ev): -19.9831 -19.9831 -6.8307 -6.8307 -6.3860 -6.3860 -4.6809 -4.6809 -3.8371 -3.8371 -3.7936 -3.7936 0.7564 0.7564 1.0904 1.0904 1.3952 1.3952 1.7377 1.7377 2.1332 2.1332 2.2525 2.2525 2.3718 2.3718 2.6114 2.6114 3.1480 3.1480 3.2985 3.2985 3.5258 3.5258 3.7077 3.7077 3.8859 3.8859 4.0838 4.0838 4.2634 4.2634 4.3895 4.3895 4.6543 4.6543 5.2525 5.2525 5.6460 5.6460 5.8145 5.8145 6.1015 6.1015 8.3549 8.3549 9.4864 9.4864 9.8834 9.8834 10.4164 10.4164 11.6200 11.6200 k = 0.4667 0.2694-0.0000 ( 5238 PWs) bands (ev): -19.9831 -19.9831 -6.8229 -6.8229 -6.3954 -6.3954 -4.6807 -4.6807 -3.8372 -3.8372 -3.7930 -3.7930 0.7629 0.7629 1.1089 1.1089 1.4094 1.4094 1.7224 1.7224 2.1364 2.1364 2.2434 2.2434 2.3580 2.3580 2.6121 2.6121 3.1698 3.1698 3.2767 3.2767 3.5503 3.5503 3.6771 3.6771 3.8826 3.8826 4.0993 4.0993 4.2447 4.2447 4.3788 4.3788 4.6465 4.6465 5.2568 5.2568 5.6559 5.6559 5.8188 5.8188 6.0976 6.0976 8.3434 8.3434 9.4840 9.4840 9.8943 9.8943 10.4181 10.4181 11.6386 11.6386 k = 0.4833 0.2791-0.0000 ( 5242 PWs) bands (ev): -19.9831 -19.9831 -6.8179 -6.8179 -6.4013 -6.4013 -4.6805 -4.6805 -3.8373 -3.8373 -3.7926 -3.7926 0.7669 0.7669 1.1208 1.1208 1.4179 1.4179 1.7129 1.7129 2.1387 2.1387 2.2363 2.2363 2.3505 2.3505 2.6124 2.6124 3.1905 3.1905 3.2558 3.2558 3.5768 3.5768 3.6471 3.6471 3.8806 3.8806 4.1114 4.1114 4.2307 4.2307 4.3722 4.3722 4.6420 4.6420 5.2594 5.2594 5.6621 5.6621 5.8214 5.8214 6.0952 6.0952 8.3364 8.3364 9.4823 9.4823 9.9011 9.9011 10.4192 10.4192 11.6485 11.6485 k = 0.5000 0.2887-0.0000 ( 5244 PWs) bands (ev): -19.9831 -19.9831 -6.8163 -6.8163 -6.4033 -6.4033 -4.6805 -4.6805 -3.8373 -3.8373 -3.7925 -3.7925 0.7682 0.7682 1.1249 1.1249 1.4207 1.4207 1.7097 1.7097 2.1396 2.1396 2.2337 2.2337 2.3482 2.3482 2.6125 2.6125 3.2019 3.2019 3.2444 3.2444 3.5949 3.5949 3.6278 3.6278 3.8800 3.8800 4.1163 4.1163 4.2253 4.2253 4.3700 4.3700 4.6405 4.6405 5.2603 5.2603 5.6642 5.6642 5.8222 5.8222 6.0945 6.0945 8.3341 8.3341 9.4817 9.4817 9.9035 9.9035 10.4196 10.4196 11.6516 11.6516 k = 0.5000 0.2887-0.0000 ( 5244 PWs) bands (ev): -19.9831 -19.9831 -6.8163 -6.8163 -6.4033 -6.4033 -4.6805 -4.6805 -3.8373 -3.8373 -3.7925 -3.7925 0.7682 0.7682 1.1249 1.1249 1.4207 1.4207 1.7097 1.7097 2.1396 2.1396 2.2337 2.2337 2.3482 2.3482 2.6125 2.6125 3.2019 3.2019 3.2444 3.2444 3.5949 3.5949 3.6278 3.6278 3.8800 3.8800 4.1163 4.1163 4.2253 4.2253 4.3700 4.3700 4.6405 4.6405 5.2603 5.2603 5.6642 5.6642 5.8222 5.8222 6.0945 6.0945 8.3341 8.3341 9.4817 9.4817 9.9035 9.9035 10.4196 10.4196 11.6516 11.6516 k = 0.4907 0.3047-0.0000 ( 5236 PWs) bands (ev): -19.9831 -19.9831 -6.8156 -6.8156 -6.4041 -6.4041 -4.6804 -4.6804 -3.8372 -3.8372 -3.7926 -3.7926 0.7688 0.7688 1.1252 1.1252 1.4206 1.4206 1.7103 1.7103 2.1377 2.1377 2.2347 2.2347 2.3479 2.3479 2.6128 2.6128 3.1998 3.1998 3.2452 3.2452 3.5841 3.5841 3.6400 3.6400 3.8802 3.8802 4.1164 4.1164 4.2251 4.2251 4.3701 4.3701 4.6404 4.6404 5.2616 5.2616 5.6633 5.6633 5.8222 5.8222 6.0896 6.0896 8.3405 8.3405 9.4784 9.4784 9.8999 9.8999 10.4225 10.4225 11.6506 11.6506 k = 0.4815 0.3208-0.0000 ( 5242 PWs) bands (ev): -19.9831 -19.9831 -6.8137 -6.8137 -6.4065 -6.4065 -4.6802 -4.6802 -3.8367 -3.8367 -3.7927 -3.7927 0.7706 0.7706 1.1262 1.1262 1.4203 1.4203 1.7119 1.7119 2.1324 2.1324 2.2374 2.2374 2.3472 2.3472 2.6137 2.6137 3.1941 3.1941 3.2469 3.2469 3.5662 3.5662 3.6621 3.6621 3.8808 3.8808 4.1169 4.1169 4.2246 4.2246 4.3704 4.3704 4.6403 4.6403 5.2654 5.2654 5.6605 5.6605 5.8222 5.8222 6.0756 6.0756 8.3595 8.3595 9.4689 9.4689 9.8893 9.8893 10.4312 10.4312 11.6477 11.6477 k = 0.4722 0.3368-0.0000 ( 5244 PWs) bands (ev): -19.9831 -19.9831 -6.8105 -6.8105 -6.4106 -6.4106 -4.6798 -4.6798 -3.8359 -3.8359 -3.7930 -3.7930 0.7736 0.7736 1.1279 1.1279 1.4198 1.4198 1.7146 1.7146 2.1246 2.1246 2.2400 2.2400 2.3469 2.3469 2.6149 2.6149 3.1857 3.1857 3.2488 3.2488 3.5484 3.5484 3.6867 3.6867 3.8818 3.8818 4.1176 4.1176 4.2238 4.2238 4.3708 4.3708 4.6403 4.6403 5.2714 5.2714 5.6555 5.6555 5.8219 5.8219 6.0538 6.0538 8.3903 8.3903 9.4539 9.4539 9.8720 9.8720 10.4449 10.4449 11.6420 11.6420 k = 0.4630 0.3528-0.0000 ( 5242 PWs) bands (ev): -19.9831 -19.9831 -6.8060 -6.8060 -6.4162 -6.4162 -4.6793 -4.6793 -3.8349 -3.8349 -3.7934 -3.7934 0.7777 0.7777 1.1305 1.1305 1.4189 1.4189 1.7183 1.7183 2.1152 2.1152 2.2409 2.2409 2.3482 2.3482 2.6164 2.6164 3.1757 3.1757 3.2498 3.2498 3.5320 3.5320 3.7125 3.7125 3.8833 3.8833 4.1186 4.1186 4.2226 4.2226 4.3716 4.3716 4.6407 4.6407 5.2791 5.2791 5.6476 5.6476 5.8208 5.8208 6.0267 6.0267 8.4315 8.4315 9.4345 9.4345 9.8484 9.8484 10.4625 10.4625 11.6328 11.6328 k = 0.4537 0.3689-0.0000 ( 5240 PWs) bands (ev): -19.9831 -19.9831 -6.8002 -6.8002 -6.4233 -6.4233 -4.6787 -4.6787 -3.8335 -3.8335 -3.7938 -3.7938 0.7827 0.7827 1.1340 1.1340 1.4177 1.4177 1.7230 1.7230 2.1048 2.1048 2.2385 2.2385 2.3523 2.3523 2.6180 2.6180 3.1645 3.1645 3.2497 3.2497 3.5173 3.5173 3.7389 3.7389 3.8852 3.8852 4.1197 4.1197 4.2210 4.2210 4.3726 4.3726 4.6421 4.6421 5.2877 5.2877 5.6359 5.6359 5.8182 5.8182 5.9977 5.9977 8.4817 8.4817 9.4118 9.4118 9.8192 9.8192 10.4826 10.4826 11.6195 11.6195 k = 0.4444 0.3849-0.0000 ( 5238 PWs) bands (ev): -19.9831 -19.9831 -6.7932 -6.7932 -6.4319 -6.4319 -4.6781 -4.6781 -3.8320 -3.8320 -3.7944 -3.7944 0.7886 0.7886 1.1386 1.1386 1.4158 1.4158 1.7287 1.7287 2.0938 2.0938 2.2320 2.2320 2.3597 2.3597 2.6195 2.6195 3.1527 3.1527 3.2480 3.2480 3.5045 3.5045 3.7655 3.7655 3.8876 3.8876 4.1209 4.1209 4.2191 4.2191 4.3740 4.3740 4.6449 4.6449 5.2960 5.2960 5.6197 5.6197 5.8129 5.8129 5.9708 5.9708 8.5391 8.5391 9.3870 9.3870 9.7855 9.7855 10.5037 10.5037 11.6020 11.6020 k = 0.4352 0.4009-0.0000 ( 5234 PWs) bands (ev): -19.9831 -19.9831 -6.7849 -6.7849 -6.4419 -6.4419 -4.6773 -4.6773 -3.8302 -3.8302 -3.7950 -3.7950 0.7952 0.7952 1.1443 1.1443 1.4133 1.4133 1.7353 1.7353 2.0828 2.0828 2.2216 2.2216 2.3703 2.3703 2.6205 2.6205 3.1405 3.1405 3.2446 3.2446 3.4937 3.4937 3.7918 3.7918 3.8905 3.8905 4.1222 4.1222 4.2168 4.2168 4.3758 4.3758 4.6495 4.6495 5.3024 5.3024 5.5985 5.5985 5.8042 5.8042 5.9500 5.9500 8.6021 8.6021 9.3612 9.3612 9.7481 9.7481 10.5242 10.5242 11.5814 11.5814 k = 0.4259 0.4170-0.0000 ( 5230 PWs) bands (ev): -19.9831 -19.9831 -6.7755 -6.7755 -6.4533 -6.4533 -4.6765 -4.6765 -3.8283 -3.8283 -3.7958 -3.7958 0.8024 0.8024 1.1514 1.1514 1.4100 1.4100 1.7427 1.7427 2.0718 2.0718 2.2079 2.2079 2.3834 2.3834 2.6210 2.6210 3.1284 3.1284 3.2395 3.2395 3.4848 3.4848 3.8171 3.8171 3.8942 3.8942 4.1236 4.1236 4.2140 4.2140 4.3782 4.3782 4.6561 4.6561 5.3041 5.3041 5.5735 5.5735 5.7925 5.7925 5.9370 5.9370 8.6688 8.6688 9.3355 9.3355 9.7082 9.7082 10.5427 10.5427 11.5593 11.5593 k = 0.4167 0.4330-0.0000 ( 5230 PWs) bands (ev): -19.9831 -19.9831 -6.7648 -6.7648 -6.4659 -6.4659 -4.6757 -4.6757 -3.8262 -3.8262 -3.7966 -3.7966 0.8098 0.8098 1.1599 1.1599 1.4058 1.4058 1.7509 1.7509 2.0612 2.0612 2.1919 2.1919 2.3983 2.3983 2.6207 2.6207 3.1168 3.1168 3.2328 3.2328 3.4779 3.4779 3.8405 3.8405 3.8991 3.8991 4.1253 4.1253 4.2107 4.2107 4.3815 4.3815 4.6653 4.6653 5.2974 5.2974 5.5483 5.5483 5.7796 5.7796 5.9313 5.9313 8.7376 8.7376 9.3107 9.3107 9.6666 9.6666 10.5580 10.5580 11.5382 11.5382 k = 0.4074 0.4491-0.0000 ( 5216 PWs) bands (ev): -19.9831 -19.9831 -6.7530 -6.7530 -6.4797 -6.4797 -4.6749 -4.6749 -3.8241 -3.8241 -3.7975 -3.7975 0.8174 0.8174 1.1699 1.1699 1.4005 1.4005 1.7596 1.7596 2.0513 2.0513 2.1741 2.1741 2.4146 2.4146 2.6194 2.6194 3.1058 3.1058 3.2246 3.2246 3.4727 3.4727 3.8603 3.8603 3.9062 3.9062 4.1274 4.1274 4.2068 4.2068 4.3857 4.3857 4.6770 4.6770 5.2779 5.2779 5.5284 5.5284 5.7670 5.7670 5.9305 5.9305 8.8067 8.8067 9.2876 9.2876 9.6242 9.6242 10.5693 10.5693 11.5203 11.5203 k = 0.3981 0.4651-0.0000 ( 5216 PWs) bands (ev): -19.9830 -19.9830 -6.7401 -6.7401 -6.4945 -6.4945 -4.6741 -4.6741 -3.8219 -3.8219 -3.7985 -3.7985 0.8249 0.8249 1.1813 1.1813 1.3940 1.3940 1.7689 1.7689 2.0421 2.0421 2.1551 2.1551 2.4318 2.4318 2.6170 2.6170 3.0959 3.0959 3.2153 3.2153 3.4690 3.4690 3.8748 3.8748 3.9169 3.9169 4.1301 4.1301 4.2022 4.2022 4.3910 4.3910 4.6912 4.6912 5.2439 5.2439 5.5175 5.5175 5.7557 5.7557 5.9328 5.9328 8.8743 8.8743 9.2671 9.2671 9.5817 9.5817 10.5765 10.5765 11.5077 11.5077 k = 0.3889 0.4811-0.0000 ( 5214 PWs) bands (ev): -19.9830 -19.9830 -6.7261 -6.7261 -6.5104 -6.5104 -4.6734 -4.6734 -3.8198 -3.8198 -3.7995 -3.7995 0.8321 0.8321 1.1943 1.1943 1.3863 1.3863 1.7784 1.7784 2.0339 2.0339 2.1356 2.1356 2.4496 2.4496 2.6132 2.6132 3.0873 3.0873 3.2052 3.2052 3.4666 3.4666 3.8837 3.8837 3.9309 3.9309 4.1334 4.1334 4.1969 4.1969 4.3976 4.3976 4.7080 4.7080 5.1978 5.1978 5.5151 5.5151 5.7458 5.7458 5.9368 5.9368 8.9384 8.9384 9.2502 9.2502 9.5398 9.5398 10.5798 10.5798 11.5017 11.5017 k = 0.3796 0.4972-0.0000 ( 5210 PWs) bands (ev): -19.9830 -19.9830 -6.7110 -6.7110 -6.5272 -6.5272 -4.6727 -4.6727 -3.8177 -3.8177 -3.8006 -3.8006 0.8388 0.8388 1.2085 1.2085 1.3773 1.3773 1.7879 1.7879 2.0268 2.0268 2.1162 2.1162 2.4676 2.4676 2.6080 2.6080 3.0802 3.0802 3.1949 3.1949 3.4651 3.4651 3.8889 3.8889 3.9459 3.9459 4.1373 4.1373 4.1912 4.1912 4.4051 4.4051 4.7271 4.7271 5.1447 5.1447 5.5183 5.5183 5.7372 5.7372 5.9416 5.9416 8.9964 8.9964 9.2385 9.2385 9.4992 9.4992 10.5798 10.5798 11.5032 11.5032 k = 0.3704 0.5132-0.0000 ( 5212 PWs) bands (ev): -19.9830 -19.9830 -6.6949 -6.6949 -6.5447 -6.5447 -4.6722 -4.6722 -3.8157 -3.8157 -3.8017 -3.8017 0.8447 0.8447 1.2238 1.2238 1.3671 1.3671 1.7972 1.7972 2.0209 2.0209 2.0977 2.0977 2.4856 2.4856 2.6012 2.6012 3.0750 3.0750 3.1847 3.1847 3.4644 3.4644 3.8922 3.8922 3.9599 3.9599 4.1413 4.1413 4.1855 4.1855 4.4132 4.4132 4.7479 4.7479 5.0893 5.0893 5.5242 5.5242 5.7298 5.7298 5.9463 5.9463 9.0448 9.0448 9.2346 9.2346 9.4601 9.4601 10.5777 10.5777 11.5124 11.5124 k = 0.3611 0.5292-0.0000 ( 5228 PWs) bands (ev): -19.9830 -19.9830 -6.6778 -6.6778 -6.5630 -6.5630 -4.6717 -4.6717 -3.8140 -3.8140 -3.8027 -3.8027 0.8497 0.8497 1.2397 1.2397 1.3559 1.3559 1.8056 1.8056 2.0163 2.0163 2.0812 2.0812 2.5031 2.5031 2.5928 2.5928 3.0715 3.0715 3.1753 3.1753 3.4641 3.4641 3.8942 3.8942 3.9718 3.9718 4.1449 4.1449 4.1807 4.1807 4.4212 4.4212 4.7696 4.7696 5.0361 5.0361 5.5308 5.5308 5.7238 5.7238 5.9505 5.9505 9.0795 9.0795 9.2416 9.2416 9.4230 9.4230 10.5746 10.5746 11.5291 11.5291 k = 0.3519 0.5453-0.0000 ( 5232 PWs) bands (ev): -19.9830 -19.9830 -6.6599 -6.6599 -6.5819 -6.5819 -4.6714 -4.6714 -3.8125 -3.8125 -3.8036 -3.8036 0.8535 0.8535 1.2552 1.2552 1.3443 1.3443 1.8126 1.8126 2.0129 2.0129 2.0678 2.0678 2.5197 2.5197 2.5830 2.5830 3.0698 3.0698 3.1673 3.1673 3.4642 3.4642 3.8954 3.8954 3.9809 3.9809 4.1469 4.1469 4.1777 4.1777 4.4282 4.4282 4.7904 4.7904 4.9900 4.9900 5.5366 5.5366 5.7192 5.7192 5.9539 5.9539 9.0986 9.0986 9.2605 9.2605 9.3884 9.3884 10.5717 10.5717 11.5523 11.5523 k = 0.3426 0.5613-0.0000 ( 5228 PWs) bands (ev): -19.9830 -19.9830 -6.6411 -6.6411 -6.6013 -6.6013 -4.6712 -4.6712 -3.8114 -3.8114 -3.8043 -3.8043 0.8559 0.8559 1.2684 1.2684 1.3338 1.3338 1.8173 1.8173 2.0105 2.0105 2.0591 2.0591 2.5342 2.5342 2.5727 2.5727 3.0694 3.0694 3.1617 3.1617 3.4643 3.4643 3.8961 3.8961 3.9868 3.9868 4.1473 4.1473 4.1768 4.1768 4.4330 4.4330 4.8064 4.8064 4.9572 4.9572 5.5406 5.5406 5.7164 5.7164 5.9560 5.9560 9.1063 9.1063 9.2857 9.2857 9.3576 9.3576 10.5697 10.5697 11.5791 11.5791 k = 0.3333 0.5774-0.0000 ( 5232 PWs) bands (ev): -19.9830 -19.9830 -6.6233 -6.6233 -6.6193 -6.6193 -4.6711 -4.6711 -3.8111 -3.8111 -3.8046 -3.8046 0.8567 0.8567 1.2742 1.2742 1.3289 1.3289 1.8191 1.8191 2.0095 2.0095 2.0561 2.0561 2.5418 2.5418 2.5665 2.5665 3.0694 3.0694 3.1595 3.1595 3.4643 3.4643 3.8963 3.8963 3.9889 3.9889 4.1471 4.1471 4.1768 4.1768 4.4348 4.4348 4.8123 4.8123 4.9453 4.9453 5.5420 5.5420 5.7154 5.7154 5.9568 5.9568 9.1080 9.1080 9.3023 9.3023 9.3400 9.3400 10.5689 10.5689 11.5956 11.5956 k = 0.3333 0.5774-0.0000 ( 5232 PWs) bands (ev): -19.9830 -19.9830 -6.6233 -6.6233 -6.6193 -6.6193 -4.6711 -4.6711 -3.8111 -3.8111 -3.8046 -3.8046 0.8567 0.8567 1.2742 1.2742 1.3289 1.3289 1.8191 1.8191 2.0095 2.0095 2.0561 2.0561 2.5418 2.5418 2.5665 2.5665 3.0694 3.0694 3.1595 3.1595 3.4643 3.4643 3.8963 3.8963 3.9889 3.9889 4.1471 4.1471 4.1768 4.1768 4.4348 4.4348 4.8123 4.8123 4.9453 4.9453 5.5420 5.5420 5.7154 5.7154 5.9568 5.9568 9.1080 9.1080 9.3023 9.3023 9.3400 9.3400 10.5689 10.5689 11.5956 11.5956 k = 0.3238 0.5609-0.0000 ( 5230 PWs) bands (ev): -19.9830 -19.9830 -6.6422 -6.6422 -6.6002 -6.6002 -4.6712 -4.6712 -3.8114 -3.8114 -3.8044 -3.8044 0.8558 0.8558 1.2676 1.2676 1.3342 1.3342 1.8172 1.8172 2.0109 2.0109 2.0592 2.0592 2.5337 2.5337 2.5731 2.5731 3.0690 3.0690 3.1622 3.1622 3.4642 3.4642 3.8961 3.8961 3.9866 3.9866 4.1476 4.1476 4.1764 4.1764 4.4330 4.4330 4.8084 4.8084 4.9558 4.9558 5.5404 5.5404 5.7164 5.7164 5.9560 5.9560 9.1070 9.1070 9.2860 9.2860 9.3567 9.3567 10.5697 10.5697 11.5756 11.5756 k = 0.3143 0.5444-0.0000 ( 5228 PWs) bands (ev): -19.9830 -19.9830 -6.6632 -6.6632 -6.5784 -6.5784 -4.6714 -4.6714 -3.8123 -3.8123 -3.8039 -3.8039 0.8529 0.8529 1.2518 1.2518 1.3456 1.3456 1.8122 1.8122 2.0151 2.0151 2.0684 2.0684 2.5182 2.5182 2.5842 2.5842 3.0675 3.0675 3.1704 3.1704 3.4639 3.4639 3.8955 3.8955 3.9800 3.9800 4.1481 4.1481 4.1754 4.1754 4.4285 4.4285 4.8036 4.8036 4.9804 4.9804 5.5358 5.5358 5.7194 5.7194 5.9534 5.9534 9.1049 9.1049 9.2610 9.2610 9.3824 9.3824 10.5716 10.5716 11.5368 11.5368 k = 0.3048 0.5279-0.0000 ( 5230 PWs) bands (ev): -19.9830 -19.9830 -6.6845 -6.6845 -6.5560 -6.5560 -4.6718 -4.6718 -3.8135 -3.8135 -3.8033 -3.8033 0.8479 0.8479 1.2315 1.2315 1.3576 1.3576 1.8053 1.8053 2.0219 2.0219 2.0834 2.0834 2.5002 2.5002 2.5949 2.5949 3.0647 3.0647 3.1839 3.1839 3.4633 3.4633 3.8944 3.8944 3.9696 3.9696 4.1448 4.1448 4.1770 4.1770 4.4232 4.4232 4.8038 4.8038 5.0116 5.0116 5.5283 5.5283 5.7240 5.7240 5.9491 5.9491 9.1021 9.1021 9.2365 9.2365 9.4080 9.4080 10.5743 10.5743 11.4938 11.4938 k = 0.2952 0.5114-0.0000 ( 5224 PWs) bands (ev): -19.9830 -19.9830 -6.7059 -6.7059 -6.5330 -6.5330 -4.6722 -4.6722 -3.8147 -3.8147 -3.8029 -3.8029 0.8407 0.8407 1.2084 1.2084 1.3673 1.3673 1.7985 1.7985 2.0304 2.0304 2.1040 2.1040 2.4810 2.4810 2.6045 2.6045 3.0612 3.0612 3.2020 3.2020 3.4625 3.4625 3.8924 3.8924 3.9569 3.9569 4.1346 4.1346 4.1840 4.1840 4.4194 4.4194 4.8100 4.8100 5.0457 5.0457 5.5183 5.5183 5.7300 5.7300 5.9432 5.9432 9.0986 9.0986 9.2138 9.2138 9.4330 9.4330 10.5772 10.5772 11.4491 11.4491 k = 0.2857 0.4949-0.0000 ( 5232 PWs) bands (ev): -19.9830 -19.9830 -6.7273 -6.7273 -6.5095 -6.5095 -4.6728 -4.6728 -3.8161 -3.8161 -3.8026 -3.8026 0.8315 0.8315 1.1833 1.1833 1.3731 1.3731 1.7936 1.7936 2.0399 2.0399 2.1300 2.1300 2.4611 2.4611 2.6128 2.6128 3.0575 3.0575 3.2232 3.2232 3.4619 3.4619 3.8884 3.8884 3.9439 3.9439 4.1191 4.1191 4.1952 4.1952 4.4185 4.4185 4.8215 4.8215 5.0808 5.0808 5.5063 5.5063 5.7370 5.7370 5.9361 5.9361 9.0940 9.0940 9.1931 9.1931 9.4581 9.4581 10.5799 10.5799 11.4031 11.4031 k = 0.2762 0.4784-0.0000 ( 5234 PWs) bands (ev): -19.9831 -19.9831 -6.7487 -6.7487 -6.4855 -6.4855 -4.6736 -4.6736 -3.8174 -3.8174 -3.8025 -3.8025 0.8201 0.8201 1.1565 1.1565 1.3738 1.3738 1.7922 1.7922 2.0496 2.0496 2.1605 2.1605 2.4410 2.4410 2.6198 2.6198 3.0539 3.0539 3.2460 3.2460 3.4619 3.4619 3.8809 3.8809 3.9332 3.9332 4.1009 4.1009 4.2090 4.2090 4.4210 4.4210 4.8365 4.8365 5.1156 5.1156 5.4926 5.4926 5.7447 5.7447 5.9280 5.9280 9.0876 9.0876 9.1749 9.1749 9.4840 9.4840 10.5822 10.5822 11.3555 11.3555 k = 0.2667 0.4619-0.0000 ( 5230 PWs) bands (ev): -19.9831 -19.9831 -6.7699 -6.7699 -6.4611 -6.4611 -4.6744 -4.6744 -3.8188 -3.8188 -3.8025 -3.8025 0.8068 0.8068 1.1283 1.1283 1.3686 1.3686 1.7953 1.7953 2.0594 2.0594 2.1946 2.1946 2.4214 2.4214 2.6256 2.6256 3.0507 3.0507 3.2685 3.2685 3.4637 3.4637 3.8695 3.8695 3.9268 3.9268 4.0820 4.0820 4.2245 4.2245 4.4267 4.4267 4.8540 4.8540 5.1491 5.1491 5.4778 5.4778 5.7526 5.7526 5.9199 5.9199 9.0786 9.0786 9.1598 9.1598 9.5110 9.5110 10.5838 10.5838 11.3058 11.3058 k = 0.2571 0.4454-0.0000 ( 5222 PWs) bands (ev): -19.9831 -19.9831 -6.7910 -6.7910 -6.4365 -6.4365 -4.6753 -4.6753 -3.8202 -3.8202 -3.8027 -3.8027 0.7916 0.7916 1.0989 1.0989 1.3575 1.3575 1.8031 1.8031 2.0690 2.0690 2.2312 2.2312 2.4032 2.4032 2.6305 2.6305 3.0480 3.0480 3.2883 3.2883 3.4688 3.4688 3.8558 3.8558 3.9243 3.9243 4.0637 4.0637 4.2412 4.2412 4.4353 4.4353 4.8727 4.8727 5.1802 5.1802 5.4622 5.4622 5.7600 5.7600 5.9128 5.9128 9.0662 9.0662 9.1485 9.1485 9.5393 9.5393 10.5850 10.5850 11.2533 11.2533 k = 0.2476 0.4289-0.0000 ( 5234 PWs) bands (ev): -19.9831 -19.9831 -6.8118 -6.8118 -6.4118 -6.4118 -4.6762 -4.6762 -3.8215 -3.8215 -3.8031 -3.8031 0.7748 0.7748 1.0685 1.0685 1.3409 1.3409 1.8152 1.8152 2.0781 2.0781 2.2675 2.2675 2.3887 2.3887 2.6348 2.6348 3.0458 3.0458 3.3031 3.3031 3.4791 3.4791 3.8423 3.8423 3.9242 3.9242 4.0469 4.0469 4.2585 4.2585 4.4464 4.4464 4.8916 4.8916 5.2079 5.2079 5.4464 5.4464 5.7657 5.7657 5.9086 5.9086 9.0500 9.0500 9.1415 9.1415 9.5687 9.5687 10.5859 10.5859 11.1977 11.1977 k = 0.2381 0.4124-0.0000 ( 5236 PWs) bands (ev): -19.9831 -19.9831 -6.8323 -6.8323 -6.3869 -6.3869 -4.6773 -4.6773 -3.8227 -3.8227 -3.8036 -3.8036 0.7564 0.7564 1.0373 1.0373 1.3196 1.3196 1.8306 1.8306 2.0866 2.0866 2.2964 2.2964 2.3846 2.3846 2.6389 2.6389 3.0442 3.0442 3.3117 3.3117 3.4953 3.4953 3.8312 3.8312 3.9255 3.9255 4.0322 4.0322 4.2762 4.2762 4.4598 4.4598 4.9101 4.9101 5.2314 5.2314 5.4310 5.4310 5.7681 5.7681 5.9095 5.9095 9.0302 9.0302 9.1385 9.1385 9.5987 9.5987 10.5871 10.5871 11.1385 11.1385 k = 0.2286 0.3959-0.0000 ( 5240 PWs) bands (ev): -19.9831 -19.9831 -6.8525 -6.8525 -6.3620 -6.3620 -4.6783 -4.6783 -3.8240 -3.8240 -3.8041 -3.8041 0.7367 0.7367 1.0056 1.0056 1.2945 1.2945 1.8484 1.8484 2.0942 2.0942 2.3059 2.3059 2.4021 2.4021 2.6434 2.6434 3.0432 3.0432 3.3149 3.3149 3.5167 3.5167 3.8234 3.8234 3.9276 3.9276 4.0200 4.0200 4.2939 4.2939 4.4754 4.4754 4.9273 4.9273 5.2494 5.2494 5.4170 5.4170 5.7659 5.7659 5.9173 5.9173 9.0075 9.0075 9.1392 9.1392 9.6285 9.6285 10.5889 10.5889 11.0760 11.0760 k = 0.2190 0.3794-0.0000 ( 5244 PWs) bands (ev): -19.9831 -19.9831 -6.8722 -6.8722 -6.3372 -6.3372 -4.6794 -4.6794 -3.8251 -3.8251 -3.8048 -3.8048 0.7158 0.7158 0.9736 0.9736 1.2664 1.2664 1.8672 1.8672 2.1008 2.1008 2.2996 2.2996 2.4366 2.4366 2.6494 2.6494 3.0427 3.0427 3.3144 3.3144 3.5413 3.5413 3.8196 3.8196 3.9303 3.9303 4.0108 4.0108 4.3113 4.3113 4.4930 4.4930 4.9423 4.9423 5.2611 5.2611 5.4055 5.4055 5.7595 5.7595 5.9322 5.9322 8.9821 8.9821 9.1434 9.1434 9.6572 9.6572 10.5922 10.5922 11.0103 11.0103 k = 0.2095 0.3629-0.0000 ( 5248 PWs) bands (ev): -19.9831 -19.9831 -6.8914 -6.8914 -6.3126 -6.3126 -4.6804 -4.6804 -3.8262 -3.8262 -3.8055 -3.8055 0.6940 0.6940 0.9414 0.9414 1.2361 1.2361 1.8860 1.8860 2.1063 2.1063 2.2885 2.2885 2.4750 2.4750 2.6589 2.6589 3.0429 3.0429 3.3126 3.3126 3.5669 3.5669 3.8199 3.8199 3.9332 3.9332 4.0050 4.0050 4.3279 4.3279 4.5125 4.5125 4.9544 4.9544 5.2653 5.2653 5.3977 5.3977 5.7503 5.7503 5.9533 5.9533 8.9542 8.9542 9.1511 9.1511 9.6835 9.6835 10.5976 10.5976 10.9423 10.9423 k = 0.2000 0.3464-0.0000 ( 5252 PWs) bands (ev): -19.9832 -19.9832 -6.9101 -6.9101 -6.2883 -6.2883 -4.6815 -4.6815 -3.8273 -3.8273 -3.8062 -3.8062 0.6714 0.6714 0.9094 0.9094 1.2043 1.2043 1.9038 1.9038 2.1104 2.1104 2.2771 2.2771 2.5094 2.5094 2.6750 2.6750 3.0441 3.0441 3.3111 3.3111 3.5919 3.5919 3.8237 3.8237 3.9363 3.9363 4.0031 4.0031 4.3437 4.3437 4.5338 4.5338 4.9629 4.9629 5.2622 5.2622 5.3938 5.3938 5.7404 5.7404 5.9792 5.9792 8.9240 8.9240 9.1624 9.1624 9.7064 9.7064 10.6055 10.6055 10.8729 10.8729 k = 0.1905 0.3299-0.0000 ( 5260 PWs) bands (ev): -19.9832 -19.9832 -6.9283 -6.9283 -6.2643 -6.2643 -4.6825 -4.6825 -3.8282 -3.8282 -3.8069 -3.8069 0.6481 0.6481 0.8777 0.8777 1.1715 1.1715 1.9196 1.9196 2.1133 2.1133 2.2670 2.2670 2.5347 2.5347 2.7012 2.7012 3.0467 3.0467 3.3111 3.3111 3.6157 3.6157 3.8302 3.8302 3.9398 3.9398 4.0057 4.0057 4.3583 4.3583 4.5565 4.5565 4.9669 4.9669 5.2529 5.2529 5.3927 5.3927 5.7320 5.7320 6.0085 6.0085 8.8916 8.8916 9.1775 9.1775 9.7248 9.7248 10.6162 10.6162 10.8034 10.8034 k = 0.1810 0.3134-0.0000 ( 5256 PWs) bands (ev): -19.9832 -19.9832 -6.9458 -6.9458 -6.2409 -6.2409 -4.6835 -4.6835 -3.8291 -3.8291 -3.8075 -3.8075 0.6243 0.6243 0.8466 0.8466 1.1382 1.1382 1.9326 1.9326 2.1151 2.1151 2.2585 2.2585 2.5493 2.5493 2.7380 2.7380 3.0513 3.0513 3.3132 3.3132 3.6379 3.6379 3.8380 3.8380 3.9441 3.9441 4.0129 4.0129 4.3719 4.3719 4.5801 4.5801 4.9662 4.9662 5.2392 5.2392 5.3923 5.3923 5.7271 5.7271 6.0401 6.0401 8.8571 8.8571 9.1963 9.1963 9.7378 9.7378 10.6279 10.6279 10.7368 10.7368 k = 0.1714 0.2969-0.0000 ( 5250 PWs) bands (ev): -19.9832 -19.9832 -6.9626 -6.9626 -6.2180 -6.2180 -4.6844 -4.6844 -3.8300 -3.8300 -3.8081 -3.8081 0.6003 0.6003 0.8163 0.8163 1.1049 1.1049 1.9421 1.9421 2.1162 2.1162 2.2519 2.2519 2.5555 2.5555 2.7821 2.7821 3.0587 3.0587 3.3176 3.3176 3.6588 3.6588 3.8457 3.8457 3.9498 3.9498 4.0246 4.0246 4.3842 4.3842 4.6038 4.6038 4.9604 4.9604 5.2227 5.2227 5.3907 5.3907 5.7280 5.7280 6.0731 6.0731 8.8205 8.8205 9.2189 9.2189 9.7449 9.7449 10.6259 10.6259 10.6884 10.6884 k = 0.1619 0.2804-0.0000 ( 5254 PWs) bands (ev): -19.9833 -19.9833 -6.9788 -6.9788 -6.1957 -6.1957 -4.6852 -4.6852 -3.8308 -3.8308 -3.8086 -3.8086 0.5760 0.5760 0.7868 0.7868 1.0717 1.0717 1.9479 1.9479 2.1169 2.1169 2.2467 2.2467 2.5564 2.5564 2.8296 2.8296 3.0697 3.0697 3.3245 3.3245 3.6791 3.6791 3.8524 3.8524 3.9574 3.9574 4.0403 4.0403 4.3954 4.3954 4.6268 4.6268 4.9498 4.9498 5.2043 5.2043 5.3863 5.3863 5.7363 5.7363 6.1066 6.1066 8.7819 8.7819 9.2454 9.2454 9.7459 9.7459 10.5782 10.5782 10.6906 10.6906 k = 0.1524 0.2639-0.0000 ( 5256 PWs) bands (ev): -19.9833 -19.9833 -6.9942 -6.9942 -6.1742 -6.1742 -4.6860 -4.6860 -3.8315 -3.8315 -3.8090 -3.8090 0.5519 0.5519 0.7585 0.7585 1.0391 1.0391 1.9499 1.9499 2.1175 2.1175 2.2427 2.2427 2.5539 2.5539 2.8771 2.8771 3.0855 3.0855 3.3337 3.3337 3.6991 3.6991 3.8580 3.8580 3.9666 3.9666 4.0596 4.0596 4.4055 4.4055 4.6479 4.6479 4.9347 4.9347 5.1846 5.1846 5.3783 5.3783 5.7531 5.7531 6.1401 6.1401 8.7415 8.7415 9.2754 9.2754 9.7413 9.7413 10.5158 10.5158 10.7121 10.7121 k = 0.1429 0.2474-0.0000 ( 5248 PWs) bands (ev): -19.9833 -19.9833 -7.0088 -7.0088 -6.1536 -6.1536 -4.6867 -4.6867 -3.8322 -3.8322 -3.8093 -3.8093 0.5279 0.5279 0.7313 0.7313 1.0073 1.0073 1.9484 1.9484 2.1183 2.1183 2.2394 2.2394 2.5495 2.5495 2.9216 2.9216 3.1073 3.1073 3.3453 3.3453 3.7194 3.7194 3.8629 3.8629 3.9775 3.9775 4.0817 4.0817 4.4146 4.4146 4.6659 4.6659 4.9159 4.9159 5.1637 5.1637 5.3668 5.3668 5.7785 5.7785 6.1731 6.1731 8.6995 8.6995 9.3088 9.3088 9.7316 9.7316 10.4533 10.4533 10.7377 10.7377 k = 0.1333 0.2309-0.0000 ( 5242 PWs) bands (ev): -19.9833 -19.9833 -7.0227 -7.0227 -6.1338 -6.1338 -4.6873 -4.6873 -3.8328 -3.8328 -3.8095 -3.8095 0.5043 0.5043 0.7055 0.7055 0.9767 0.9767 1.9441 1.9441 2.1192 2.1192 2.2364 2.2364 2.5437 2.5437 2.9607 2.9607 3.1359 3.1359 3.3591 3.3591 3.7400 3.7400 3.8677 3.8677 3.9897 3.9897 4.1060 4.1060 4.4226 4.4226 4.6793 4.6793 4.8944 4.8944 5.1418 5.1418 5.3528 5.3528 5.8119 5.8119 6.2052 6.2052 8.6561 8.6561 9.3451 9.3451 9.7179 9.7179 10.3931 10.3931 10.7641 10.7641 k = 0.1238 0.2144-0.0000 ( 5238 PWs) bands (ev): -19.9833 -19.9833 -7.0357 -7.0357 -6.1151 -6.1151 -4.6879 -4.6879 -3.8334 -3.8334 -3.8096 -3.8096 0.4812 0.4812 0.6810 0.6810 0.9473 0.9473 1.9376 1.9376 2.1200 2.1200 2.2334 2.2334 2.5373 2.5373 2.9931 2.9931 3.1709 3.1709 3.3756 3.3756 3.7608 3.7608 3.8734 3.8734 4.0034 4.0034 4.1317 4.1317 4.4295 4.4295 4.6866 4.6866 4.8711 4.8711 5.1190 5.1190 5.3374 5.3374 5.8523 5.8523 6.2361 6.2361 8.6113 8.6113 9.3834 9.3834 9.7015 9.7015 10.3362 10.3362 10.7897 10.7897 k = 0.1143 0.1979-0.0000 ( 5236 PWs) bands (ev): -19.9834 -19.9834 -7.0479 -7.0479 -6.0975 -6.0975 -4.6883 -4.6883 -3.8339 -3.8339 -3.8096 -3.8096 0.4590 0.4590 0.6580 0.6580 0.9195 0.9195 1.9296 1.9296 2.1207 2.1207 2.2304 2.2304 2.5305 2.5305 3.0194 3.0194 3.2098 3.2098 3.3955 3.3955 3.7809 3.7809 3.8808 3.8808 4.0185 4.0185 4.1585 4.1585 4.4353 4.4353 4.6865 4.6865 4.8472 4.8472 5.0951 5.0951 5.3222 5.3222 5.8984 5.8984 6.2655 6.2655 8.5656 8.5656 9.4225 9.4225 9.6842 9.6842 10.2830 10.2830 10.8131 10.8131 k = 0.1048 0.1815-0.0000 ( 5232 PWs) bands (ev): -19.9834 -19.9834 -7.0592 -7.0592 -6.0809 -6.0809 -4.6887 -4.6887 -3.8343 -3.8343 -3.8095 -3.8095 0.4377 0.4377 0.6365 0.6365 0.8934 0.8934 1.9206 1.9206 2.1212 2.1212 2.2274 2.2274 2.5237 2.5237 3.0407 3.0407 3.2491 3.2491 3.4200 3.4200 3.7994 3.7994 3.8909 3.8909 4.0353 4.0353 4.1862 4.1862 4.4398 4.4398 4.6781 4.6781 4.8234 4.8234 5.0699 5.0699 5.3083 5.3083 5.9488 5.9488 6.2935 6.2935 8.5192 8.5192 9.4599 9.4599 9.6688 9.6688 10.2341 10.2341 10.8333 10.8333 k = 0.0952 0.1650-0.0000 ( 5230 PWs) bands (ev): -19.9834 -19.9834 -7.0696 -7.0696 -6.0657 -6.0657 -4.6890 -4.6890 -3.8348 -3.8348 -3.8093 -3.8093 0.4176 0.4176 0.6166 0.6166 0.8692 0.8692 1.9113 1.9113 2.1213 2.1213 2.2243 2.2243 2.5170 2.5170 3.0583 3.0583 3.2849 3.2849 3.4505 3.4505 3.8155 3.8155 3.9044 3.9044 4.0541 4.0541 4.2147 4.2147 4.4428 4.4428 4.6614 4.6614 4.8003 4.8003 5.0431 5.0431 5.2967 5.2967 6.0020 6.0020 6.3199 6.3199 8.4726 8.4726 9.4910 9.4910 9.6598 9.6598 10.1900 10.1900 10.8497 10.8497 k = 0.0857 0.1485-0.0000 ( 5228 PWs) bands (ev): -19.9834 -19.9834 -7.0791 -7.0791 -6.0516 -6.0516 -4.6893 -4.6893 -3.8352 -3.8352 -3.8090 -3.8090 0.3988 0.3988 0.5983 0.5983 0.8470 0.8470 1.9018 1.9018 2.1212 2.1212 2.2212 2.2212 2.5107 2.5107 3.0731 3.0731 3.3147 3.3147 3.4875 3.4875 3.8287 3.8287 3.9209 3.9209 4.0750 4.0750 4.2439 4.2439 4.4438 4.4438 4.6380 4.6380 4.7773 4.7773 5.0144 5.0144 5.2880 5.2880 6.0564 6.0564 6.3449 6.3449 8.4261 8.4261 9.5089 9.5089 9.6639 9.6639 10.1511 10.1511 10.8618 10.8618 k = 0.0762 0.1320-0.0000 ( 5240 PWs) bands (ev): -19.9834 -19.9834 -7.0876 -7.0876 -6.0390 -6.0390 -4.6894 -4.6894 -3.8355 -3.8355 -3.8087 -3.8087 0.3816 0.3816 0.5817 0.5817 0.8269 0.8269 1.8927 1.8927 2.1207 2.1207 2.2183 2.2183 2.5048 2.5048 3.0854 3.0854 3.3382 3.3382 3.5298 3.5298 3.8401 3.8401 3.9391 3.9391 4.0982 4.0982 4.2740 4.2740 4.4422 4.4422 4.6101 4.6101 4.7541 4.7541 4.9837 4.9837 5.2822 5.2822 6.1105 6.1105 6.3688 6.3688 8.3803 8.3803 9.5106 9.5106 9.6835 9.6835 10.1182 10.1182 10.8694 10.8694 k = 0.0667 0.1155-0.0000 ( 5240 PWs) bands (ev): -19.9835 -19.9835 -7.0951 -7.0951 -6.0276 -6.0276 -4.6896 -4.6896 -3.8358 -3.8358 -3.8084 -3.8084 0.3659 0.3659 0.5669 0.5669 0.8091 0.8091 1.8842 1.8842 2.1199 2.1199 2.2156 2.2156 2.4995 2.4995 3.0958 3.0958 3.3564 3.3564 3.5747 3.5747 3.8510 3.8510 3.9575 3.9575 4.1235 4.1235 4.3049 4.3049 4.4368 4.4368 4.5803 4.5803 4.7305 4.7305 4.9511 4.9511 5.2790 5.2790 6.1622 6.1622 6.3917 6.3917 8.3361 8.3361 9.5012 9.5012 9.7124 9.7124 10.0920 10.0920 10.8725 10.8725 k = 0.0571 0.0990-0.0000 ( 5240 PWs) bands (ev): -19.9835 -19.9835 -7.1017 -7.1017 -6.0178 -6.0178 -4.6897 -4.6897 -3.8361 -3.8361 -3.8080 -3.8080 0.3521 0.3521 0.5538 0.5538 0.7935 0.7935 1.8763 1.8763 2.1190 2.1190 2.2132 2.2132 2.4948 2.4948 3.1043 3.1043 3.3704 3.3704 3.6192 3.6192 3.8627 3.8627 3.9748 3.9748 4.1503 4.1503 4.3363 4.3363 4.4264 4.4264 4.5517 4.5517 4.7068 4.7068 4.9171 4.9171 5.2779 5.2779 6.2096 6.2096 6.4143 6.4143 8.2942 8.2942 9.4873 9.4873 9.7425 9.7425 10.0735 10.0735 10.8711 10.8711 k = 0.0476 0.0825-0.0000 ( 5236 PWs) bands (ev): -19.9835 -19.9835 -7.1073 -7.1073 -6.0093 -6.0093 -4.6897 -4.6897 -3.8363 -3.8363 -3.8077 -3.8077 0.3402 0.3402 0.5426 0.5426 0.7802 0.7802 1.8695 1.8695 2.1181 2.1181 2.2111 2.2111 2.4907 2.4907 3.1112 3.1112 3.3814 3.3814 3.6602 3.6602 3.8770 3.8770 3.9903 3.9903 4.1775 4.1775 4.3666 4.3666 4.4112 4.4112 4.5267 4.5267 4.6840 4.6840 4.8824 4.8824 5.2782 5.2782 6.2506 6.2506 6.4366 6.4366 8.2557 8.2557 9.4726 9.4726 9.7688 9.7688 10.0633 10.0633 10.8657 10.8657 k = 0.0381 0.0660-0.0000 ( 5231 PWs) bands (ev): -19.9835 -19.9835 -7.1119 -7.1119 -6.0024 -6.0024 -4.6898 -4.6898 -3.8365 -3.8365 -3.8074 -3.8074 0.3304 0.3304 0.5333 0.5333 0.7694 0.7694 1.8637 1.8637 2.1172 2.1172 2.2093 2.2093 2.4874 2.4874 3.1166 3.1166 3.3898 3.3898 3.6947 3.6947 3.8948 3.8948 4.0037 4.0037 4.2030 4.2030 4.3790 4.3790 4.4085 4.4085 4.5061 4.5061 4.6632 4.6632 4.8479 4.8479 5.2793 5.2793 6.2839 6.2839 6.4584 6.4584 8.2217 8.2217 9.4590 9.4590 9.7883 9.7883 10.0611 10.0611 10.8571 10.8571 k = 0.0286 0.0495-0.0000 ( 5211 PWs) bands (ev): -19.9835 -19.9835 -7.1155 -7.1155 -5.9970 -5.9970 -4.6898 -4.6898 -3.8366 -3.8366 -3.8071 -3.8071 0.3226 0.3226 0.5261 0.5261 0.7609 0.7609 1.8591 1.8591 2.1163 2.1163 2.2080 2.2080 2.4847 2.4847 3.1207 3.1207 3.3961 3.3961 3.7209 3.7209 3.9158 3.9158 4.0151 4.0151 4.2232 4.2232 4.3619 4.3619 4.4329 4.4329 4.4898 4.4898 4.6457 4.6457 4.8154 4.8154 5.2806 5.2806 6.3089 6.3089 6.4787 6.4787 8.1935 8.1935 9.4477 9.4477 9.8008 9.8008 10.0650 10.0650 10.8470 10.8470 k = 0.0190 0.0330-0.0000 ( 5207 PWs) bands (ev): -19.9835 -19.9835 -7.1180 -7.1180 -5.9931 -5.9931 -4.6898 -4.6898 -3.8367 -3.8367 -3.8069 -3.8069 0.3170 0.3170 0.5208 0.5208 0.7548 0.7548 1.8557 1.8557 2.1157 2.1157 2.2070 2.2070 2.4828 2.4828 3.1236 3.1236 3.4004 3.4004 3.7383 3.7383 3.9370 3.9370 4.0248 4.0248 4.2331 4.2331 4.3493 4.3493 4.4502 4.4502 4.4823 4.4823 4.6325 4.6325 4.7874 4.7874 5.2819 5.2819 6.3259 6.3259 6.4954 6.4954 8.1722 8.1722 9.4392 9.4392 9.8076 9.8076 10.0715 10.0715 10.8377 10.8377 k = 0.0095 0.0165-0.0000 ( 5207 PWs) bands (ev): -19.9835 -19.9835 -7.1196 -7.1196 -5.9908 -5.9908 -4.6898 -4.6898 -3.8368 -3.8368 -3.8068 -3.8068 0.3136 0.3136 0.5177 0.5177 0.7512 0.7512 1.8537 1.8537 2.1153 2.1153 2.2064 2.2064 2.4817 2.4817 3.1252 3.1252 3.4030 3.4030 3.7479 3.7479 3.9529 3.9529 4.0323 4.0323 4.2323 4.2323 4.3476 4.3476 4.4481 4.4481 4.4906 4.4906 4.6242 4.6242 4.7675 4.7675 5.2827 5.2827 6.3356 6.3356 6.5064 6.5064 8.1590 8.1590 9.4339 9.4339 9.8107 9.8107 10.0771 10.0771 10.8312 10.8312 k = 0.0000 0.0000 0.0000 ( 5211 PWs) bands (ev): -19.9835 -19.9835 -7.1201 -7.1201 -5.9900 -5.9900 -4.6898 -4.6898 -3.8368 -3.8368 -3.8068 -3.8068 0.3125 0.3125 0.5166 0.5166 0.7500 0.7500 1.8530 1.8530 2.1152 2.1152 2.2062 2.2062 2.4813 2.4813 3.1258 3.1258 3.4038 3.4038 3.7510 3.7510 3.9588 3.9588 4.0354 4.0354 4.2299 4.2299 4.3490 4.3490 4.4444 4.4444 4.4962 4.4962 4.6213 4.6213 4.7602 4.7602 5.2830 5.2830 6.3388 6.3388 6.5103 6.5103 8.1545 8.1545 9.4322 9.4322 9.8116 9.8116 10.0793 10.0793 10.8289 10.8289 k = 0.0000 0.0000 0.0000 ( 5211 PWs) bands (ev): -19.9835 -19.9835 -7.1201 -7.1201 -5.9900 -5.9900 -4.6898 -4.6898 -3.8368 -3.8368 -3.8068 -3.8068 0.3125 0.3125 0.5166 0.5166 0.7500 0.7500 1.8530 1.8530 2.1152 2.1152 2.2062 2.2062 2.4813 2.4813 3.1258 3.1258 3.4038 3.4038 3.7510 3.7510 3.9588 3.9588 4.0354 4.0354 4.2299 4.2299 4.3490 4.3490 4.4444 4.4444 4.4962 4.4962 4.6213 4.6213 4.7602 4.7602 5.2830 5.2830 6.3388 6.3388 6.5103 6.5103 8.1545 8.1545 9.4322 9.4322 9.8116 9.8116 10.0793 10.0793 10.8289 10.8289 k = 0.0000 0.0000 0.0189 ( 5217 PWs) bands (ev): -19.9835 -19.9835 -7.1197 -7.1197 -5.9905 -5.9905 -4.6899 -4.6899 -3.8368 -3.8368 -3.8068 -3.8068 0.3130 0.3130 0.5171 0.5171 0.7505 0.7505 1.8536 1.8536 2.1152 2.1152 2.2063 2.2063 2.4815 2.4815 3.1259 3.1259 3.4029 3.4029 3.7496 3.7496 3.9585 3.9585 4.0353 4.0353 4.2265 4.2265 4.3511 4.3511 4.4422 4.4422 4.4951 4.4951 4.6215 4.6215 4.7616 4.7616 5.2830 5.2830 6.3402 6.3402 6.5113 6.5113 8.1529 8.1529 9.4399 9.4399 9.8068 9.8068 10.0751 10.0751 10.8284 10.8284 k = 0.0000 0.0000 0.0377 ( 5223 PWs) bands (ev): -19.9835 -19.9835 -7.1184 -7.1184 -5.9920 -5.9920 -4.6900 -4.6900 -3.8368 -3.8368 -3.8071 -3.8071 0.3145 0.3145 0.5184 0.5184 0.7521 0.7521 1.8552 1.8552 2.1152 2.1152 2.2067 2.2067 2.4819 2.4819 3.1263 3.1263 3.4003 3.4003 3.7455 3.7455 3.9577 3.9577 4.0351 4.0351 4.2172 4.2172 4.3562 4.3562 4.4362 4.4362 4.4919 4.4919 4.6219 4.6219 4.7656 4.7656 5.2830 5.2830 6.3446 6.3446 6.5143 6.5143 8.1484 8.1484 9.4627 9.4627 9.7927 9.7927 10.0628 10.0628 10.8267 10.8267 k = 0.0000 0.0000 0.0566 ( 5205 PWs) bands (ev): -19.9835 -19.9835 -7.1162 -7.1162 -5.9945 -5.9945 -4.6901 -4.6901 -3.8368 -3.8368 -3.8076 -3.8076 0.3170 0.3170 0.5205 0.5205 0.7547 0.7547 1.8580 1.8580 2.1153 2.1153 2.2072 2.2072 2.4826 2.4826 3.1270 3.1270 3.3957 3.3957 3.7390 3.7390 3.9563 3.9563 4.0348 4.0348 4.2041 4.2041 4.3616 4.3616 4.4278 4.4278 4.4865 4.4865 4.6226 4.6226 4.7711 4.7711 5.2830 5.2830 6.3519 6.3519 6.5193 6.5193 8.1421 8.1421 9.4987 9.4987 9.7697 9.7697 10.0439 10.0439 10.8233 10.8233 k = 0.0000 0.0000 0.0755 ( 5217 PWs) bands (ev): -19.9835 -19.9835 -7.1133 -7.1133 -5.9980 -5.9980 -4.6904 -4.6904 -3.8368 -3.8368 -3.8083 -3.8083 0.3204 0.3204 0.5235 0.5235 0.7583 0.7583 1.8620 1.8620 2.1154 2.1154 2.2079 2.2079 2.4835 2.4835 3.1280 3.1280 3.3893 3.3893 3.7302 3.7302 3.9544 3.9544 4.0343 4.0343 4.1889 4.1889 4.3636 4.3636 4.4196 4.4196 4.4792 4.4792 4.6235 4.6235 4.7771 4.7771 5.2829 5.2829 6.3620 6.3620 6.5263 6.5263 8.1358 8.1358 9.5450 9.5450 9.7388 9.7388 10.0209 10.0209 10.8173 10.8173 k = 0.0000 0.0000 0.0944 ( 5217 PWs) bands (ev): -19.9834 -19.9834 -7.1095 -7.1095 -6.0025 -6.0025 -4.6907 -4.6907 -3.8368 -3.8368 -3.8091 -3.8091 0.3247 0.3247 0.5273 0.5273 0.7630 0.7630 1.8671 1.8671 2.1156 2.1156 2.2089 2.2089 2.4847 2.4847 3.1293 3.1293 3.3810 3.3810 3.7197 3.7197 3.9519 3.9519 4.0336 4.0336 4.1728 4.1728 4.3583 4.3583 4.4152 4.4152 4.4700 4.4700 4.6244 4.6244 4.7822 4.7822 5.2829 5.2829 6.3747 6.3747 6.5353 6.5353 8.1313 8.1313 9.5970 9.5970 9.7009 9.7009 9.9981 9.9981 10.8080 10.8080 k = 0.0000 0.0000 0.1132 ( 5223 PWs) bands (ev): -19.9834 -19.9834 -7.1049 -7.1049 -6.0079 -6.0079 -4.6911 -4.6911 -3.8369 -3.8369 -3.8101 -3.8101 0.3297 0.3297 0.5318 0.5318 0.7685 0.7685 1.8737 1.8737 2.1157 2.1157 2.2100 2.2100 2.4862 2.4862 3.1309 3.1309 3.3707 3.3707 3.7078 3.7078 3.9490 3.9490 4.0327 4.0327 4.1568 4.1568 4.3449 4.3449 4.4153 4.4153 4.4590 4.4590 4.6253 4.6253 4.7855 4.7855 5.2829 5.2829 6.3901 6.3901 6.5462 6.5462 8.1303 8.1303 9.6465 9.6465 9.6573 9.6573 9.9831 9.9831 10.7947 10.7947 k = 0.0000 0.0000 0.1321 ( 5211 PWs) bands (ev): -19.9834 -19.9834 -7.0995 -7.0995 -6.0142 -6.0142 -4.6915 -4.6915 -3.8369 -3.8369 -3.8113 -3.8113 0.3354 0.3354 0.5371 0.5371 0.7749 0.7749 1.8816 1.8816 2.1159 2.1159 2.2113 2.2113 2.4879 2.4879 3.1328 3.1328 3.3585 3.3585 3.6952 3.6952 3.9456 3.9456 4.0315 4.0315 4.1412 4.1412 4.3263 4.3263 4.4171 4.4171 4.4462 4.4462 4.6262 4.6262 4.7860 4.7860 5.2829 5.2829 6.4079 6.4079 6.5589 6.5589 8.1345 8.1345 9.6090 9.6090 9.6805 9.6805 9.9885 9.9885 10.7772 10.7772 k = 0.0000 0.0000 0.1510 ( 5223 PWs) bands (ev): -19.9834 -19.9834 -7.0934 -7.0934 -6.0213 -6.0213 -4.6920 -4.6920 -3.8369 -3.8369 -3.8126 -3.8126 0.3417 0.3417 0.5431 0.5431 0.7822 0.7822 1.8910 1.8910 2.1162 2.1162 2.2129 2.2129 2.4898 2.4898 3.1352 3.1352 3.3444 3.3444 3.6822 3.6822 3.9416 3.9416 4.0299 4.0299 4.1263 4.1263 4.3047 4.3047 4.4184 4.4184 4.4319 4.4319 4.6270 4.6270 4.7832 4.7832 5.2829 5.2829 6.4280 6.4280 6.5735 6.5735 8.1451 8.1451 9.5572 9.5572 9.6870 9.6870 10.0258 10.0258 10.7554 10.7554 k = 0.0000 0.0000 0.1698 ( 5229 PWs) bands (ev): -19.9833 -19.9833 -7.0865 -7.0865 -6.0293 -6.0293 -4.6925 -4.6925 -3.8370 -3.8370 -3.8141 -3.8141 0.3484 0.3484 0.5497 0.5497 0.7902 0.7902 1.9020 1.9020 2.1165 2.1165 2.2146 2.2146 2.4918 2.4918 3.1379 3.1379 3.3285 3.3285 3.6695 3.6695 3.9372 3.9372 4.0278 4.0278 4.1120 4.1120 4.2815 4.2815 4.4161 4.4161 4.4180 4.4180 4.6277 4.6277 4.7767 4.7767 5.2829 5.2829 6.4501 6.4501 6.5898 6.5898 8.1630 8.1630 9.5027 9.5027 9.6684 9.6684 10.0925 10.0925 10.7293 10.7293 k = 0.0000 0.0000 0.1887 ( 5241 PWs) bands (ev): -19.9833 -19.9833 -7.0790 -7.0790 -6.0380 -6.0380 -4.6931 -4.6931 -3.8370 -3.8370 -3.8156 -3.8156 0.3554 0.3554 0.5569 0.5569 0.7989 0.7989 1.9147 1.9147 2.1168 2.1168 2.2165 2.2165 2.4941 2.4941 3.1411 3.1411 3.3112 3.3112 3.6572 3.6572 3.9324 3.9324 4.0248 4.0248 4.0985 4.0985 4.2573 4.2573 4.3989 4.3989 4.4151 4.4151 4.6282 4.6282 4.7667 4.7667 5.2829 5.2829 6.4740 6.4740 6.6078 6.6078 8.1889 8.1889 9.4464 9.4464 9.6350 9.6350 10.1776 10.1776 10.6996 10.6996 k = 0.0000 0.0000 0.2076 ( 5241 PWs) bands (ev): -19.9833 -19.9833 -7.0709 -7.0709 -6.0475 -6.0475 -4.6937 -4.6937 -3.8371 -3.8371 -3.8173 -3.8173 0.3625 0.3625 0.5645 0.5645 0.8082 0.8082 1.9293 1.9293 2.1172 2.1172 2.2185 2.2185 2.4964 2.4964 3.1448 3.1448 3.2928 3.2928 3.6457 3.6457 3.9271 3.9271 4.0205 4.0205 4.0859 4.0859 4.2329 4.2329 4.3803 4.3803 4.4092 4.4092 4.6287 4.6287 4.7536 4.7536 5.2829 5.2829 6.4994 6.4994 6.6274 6.6274 8.2230 8.2230 9.3891 9.3891 9.5944 9.5944 10.2732 10.2732 10.6668 10.6668 k = 0.0000 0.0000 0.2264 ( 5240 PWs) bands (ev): -19.9832 -19.9832 -7.0622 -7.0622 -6.0575 -6.0575 -4.6944 -4.6944 -3.8371 -3.8371 -3.8190 -3.8190 0.3697 0.3697 0.5726 0.5726 0.8180 0.8180 1.9457 1.9457 2.1176 2.1176 2.2207 2.2207 2.4989 2.4989 3.1490 3.1490 3.2737 3.2737 3.6350 3.6350 3.9213 3.9213 4.0140 4.0140 4.0745 4.0745 4.2089 4.2089 4.3607 4.3607 4.3998 4.3998 4.6290 4.6290 4.7381 4.7381 5.2829 5.2829 6.5261 6.5261 6.6484 6.6484 8.2652 8.2652 9.3314 9.3314 9.5507 9.5507 10.3740 10.3740 10.6320 10.6320 k = 0.0000 0.0000 0.2453 ( 5234 PWs) bands (ev): -19.9832 -19.9832 -7.0530 -7.0530 -6.0681 -6.0681 -4.6951 -4.6951 -3.8372 -3.8372 -3.8208 -3.8208 0.3768 0.3768 0.5810 0.5810 0.8282 0.8282 1.9641 1.9641 2.1181 2.1181 2.2230 2.2230 2.5015 2.5015 3.1538 3.1538 3.2542 3.2542 3.6251 3.6251 3.9150 3.9150 4.0042 4.0042 4.0648 4.0648 4.1859 4.1859 4.3401 4.3401 4.3863 4.3863 4.6292 4.6292 4.7210 4.7210 5.2830 5.2830 6.5539 6.5539 6.6707 6.6707 8.3152 8.3152 9.2739 9.2739 9.5063 9.5063 10.4744 10.4744 10.5989 10.5989 k = 0.0000 0.0000 0.2642 ( 5222 PWs) bands (ev): -19.9831 -19.9831 -7.0433 -7.0433 -6.0792 -6.0792 -4.6958 -4.6958 -3.8372 -3.8372 -3.8227 -3.8227 0.3836 0.3836 0.5897 0.5897 0.8388 0.8388 1.9846 1.9846 2.1186 2.1186 2.2255 2.2255 2.5042 2.5042 3.1591 3.1591 3.2349 3.2349 3.6160 3.6160 3.9082 3.9082 3.9901 3.9901 4.0571 4.0571 4.1643 4.1643 4.3187 4.3187 4.3685 4.3685 4.6293 4.6293 4.7036 4.7036 5.2830 5.2830 6.5824 6.5824 6.6942 6.6942 8.3725 8.3725 9.2171 9.2171 9.4625 9.4625 10.5297 10.5297 10.6109 10.6109 k = 0.0000 0.0000 0.2831 ( 5210 PWs) bands (ev): -19.9831 -19.9831 -7.0333 -7.0333 -6.0907 -6.0907 -4.6965 -4.6965 -3.8373 -3.8373 -3.8245 -3.8245 0.3901 0.3901 0.5986 0.5986 0.8496 0.8496 2.0070 2.0070 2.1193 2.1193 2.2280 2.2280 2.5070 2.5070 3.1650 3.1650 3.2160 3.2160 3.6076 3.6076 3.9008 3.9008 3.9712 3.9712 4.0514 4.0514 4.1448 4.1448 4.2967 4.2967 4.3462 4.3462 4.6293 4.6293 4.6867 4.6867 5.2831 5.2831 6.6115 6.6115 6.7187 6.7187 8.4361 8.4361 9.1612 9.1612 9.4203 9.4203 10.5012 10.5012 10.5866 10.5866 k = 0.0000 0.0000 0.3019 ( 5216 PWs) bands (ev): -19.9830 -19.9830 -7.0230 -7.0230 -6.1025 -6.1025 -4.6972 -4.6972 -3.8373 -3.8373 -3.8264 -3.8264 0.3961 0.3961 0.6076 0.6076 0.8605 0.8605 2.0314 2.0314 2.1201 2.1201 2.2306 2.2306 2.5098 2.5098 3.1716 3.1716 3.1980 3.1980 3.5997 3.5997 3.8929 3.8929 3.9479 3.9479 4.0471 4.0471 4.1275 4.1275 4.2744 4.2744 4.3196 4.3196 4.6293 4.6293 4.6711 4.6711 5.2831 5.2831 6.6409 6.6409 6.7439 6.7439 8.5051 8.5051 9.1068 9.1068 9.3806 9.3806 10.4619 10.4619 10.5463 10.5463 k = 0.0000 0.0000 0.3208 ( 5228 PWs) bands (ev): -19.9830 -19.9830 -7.0124 -7.0124 -6.1144 -6.1144 -4.6979 -4.6979 -3.8374 -3.8374 -3.8282 -3.8282 0.4016 0.4016 0.6166 0.6166 0.8715 0.8715 2.0575 2.0575 2.1211 2.1211 2.2332 2.2332 2.5128 2.5128 3.1788 3.1788 3.1812 3.1812 3.5921 3.5921 3.8843 3.8843 3.9206 3.9206 4.0437 4.0437 4.1121 4.1121 4.2521 4.2521 4.2895 4.2895 4.6292 4.6292 4.6573 4.6573 5.2832 5.2832 6.6702 6.6702 6.7697 6.7697 8.5781 8.5781 9.0541 9.0541 9.3442 9.3442 10.4212 10.4212 10.5067 10.5067 k = 0.0000 0.0000 0.3397 ( 5210 PWs) bands (ev): -19.9829 -19.9829 -7.0018 -7.0018 -6.1265 -6.1265 -4.6986 -4.6986 -3.8375 -3.8375 -3.8300 -3.8300 0.4066 0.4066 0.6254 0.6254 0.8825 0.8825 2.0845 2.0845 2.1232 2.1232 2.2359 2.2359 2.5158 2.5158 3.1658 3.1658 3.1866 3.1866 3.5845 3.5845 3.8750 3.8750 3.8901 3.8901 4.0407 4.0407 4.0983 4.0983 4.2300 4.2300 4.2570 4.2570 4.6291 4.6291 4.6454 4.6454 5.2832 5.2832 6.6993 6.6993 6.7958 6.7958 8.6535 8.6535 9.0034 9.0034 9.3122 9.3122 10.3806 10.3806 10.4683 10.4683 k = 0.0000 0.0000 0.3585 ( 5222 PWs) bands (ev): -19.9829 -19.9829 -6.9911 -6.9911 -6.1385 -6.1385 -4.6993 -4.6993 -3.8375 -3.8375 -3.8318 -3.8318 0.4109 0.4109 0.6341 0.6341 0.8933 0.8933 2.1080 2.1080 2.1303 2.1303 2.2385 2.2385 2.5190 2.5190 3.1520 3.1520 3.1950 3.1950 3.5765 3.5765 3.8572 3.8572 3.8650 3.8650 4.0378 4.0378 4.0854 4.0854 4.2086 4.2086 4.2237 4.2237 4.6290 4.6290 4.6353 4.6353 5.2832 5.2832 6.7278 6.7278 6.8219 6.8219 8.7289 8.7289 8.9549 8.9549 9.2861 9.2861 10.3407 10.3407 10.4313 10.4313 k = 0.0000 0.0000 0.3774 ( 5222 PWs) bands (ev): -19.9829 -19.9829 -6.9806 -6.9806 -6.1503 -6.1503 -4.6999 -4.6999 -3.8376 -3.8376 -3.8335 -3.8335 0.4147 0.4147 0.6425 0.6425 0.9038 0.9038 2.1169 2.1169 2.1533 2.1533 2.2411 2.2411 2.5225 2.5225 3.1401 3.1401 3.2039 3.2039 3.5677 3.5677 3.8228 3.8228 3.8542 3.8542 4.0345 4.0345 4.0726 4.0726 4.1880 4.1880 4.1915 4.1915 4.6269 4.6269 4.6288 4.6288 5.2833 5.2833 6.7555 6.7555 6.8478 6.8478 8.8012 8.8012 8.9090 8.9090 9.2682 9.2682 10.3022 10.3022 10.3961 10.3961 k = 0.0000 0.0000 0.3963 ( 5234 PWs) bands (ev): -19.9828 -19.9828 -6.9703 -6.9703 -6.1619 -6.1619 -4.7006 -4.7006 -3.8376 -3.8376 -3.8351 -3.8351 0.4178 0.4178 0.6505 0.6505 0.9139 0.9139 2.1193 2.1193 2.1839 2.1839 2.2436 2.2436 2.5262 2.5262 3.1301 3.1301 3.2133 3.2133 3.5572 3.5572 3.7879 3.7879 3.8427 3.8427 4.0295 4.0295 4.0597 4.0597 4.1628 4.1628 4.1686 4.1686 4.6199 4.6199 4.6287 4.6287 5.2833 5.2833 6.7821 6.7821 6.8732 6.8732 8.8655 8.8655 8.8658 8.8658 9.2622 9.2622 10.2655 10.2655 10.3631 10.3631 k = 0.0000 0.0000 0.4152 ( 5246 PWs) bands (ev): -19.9828 -19.9828 -6.9604 -6.9604 -6.1730 -6.1730 -4.7012 -4.7012 -3.8377 -3.8377 -3.8366 -3.8366 0.4204 0.4204 0.6581 0.6581 0.9234 0.9234 2.1204 2.1204 2.2159 2.2159 2.2460 2.2460 2.5303 2.5303 3.1222 3.1222 3.2231 3.2231 3.5441 3.5441 3.7542 3.7542 3.8306 3.8306 4.0199 4.0199 4.0486 4.0486 4.1394 4.1394 4.1508 4.1508 4.6140 4.6140 4.6285 4.6285 5.2833 5.2833 6.8073 6.8073 6.8977 6.8977 8.8255 8.8255 8.9161 8.9161 9.2727 9.2727 10.2309 10.2309 10.3324 10.3324 k = 0.0000 0.0000 0.4340 ( 5246 PWs) bands (ev): -19.9828 -19.9828 -6.9509 -6.9509 -6.1835 -6.1835 -4.7017 -4.7017 -3.8380 -3.8380 -3.8377 -3.8377 0.4225 0.4225 0.6651 0.6651 0.9324 0.9324 2.1212 2.1212 2.2480 2.2480 2.2483 2.2483 2.5350 2.5350 3.1165 3.1165 3.2330 3.2330 3.5269 3.5269 3.7235 3.7235 3.8179 3.8179 4.0029 4.0029 4.0419 4.0419 4.1221 4.1221 4.1346 4.1346 4.6092 4.6092 4.6284 4.6284 5.2834 5.2834 6.8309 6.8309 6.9209 6.9209 8.7885 8.7885 8.9486 8.9486 9.3029 9.3029 10.1988 10.1988 10.3044 10.3044 k = 0.0000 0.0000 0.4529 ( 5252 PWs) bands (ev): -19.9827 -19.9827 -6.9421 -6.9421 -6.1932 -6.1932 -4.7022 -4.7022 -3.8392 -3.8392 -3.8377 -3.8377 0.4241 0.4241 0.6715 0.6715 0.9406 0.9406 2.1219 2.1219 2.2504 2.2504 2.2790 2.2790 2.5405 2.5405 3.1130 3.1130 3.2430 3.2430 3.5047 3.5047 3.6976 3.6976 3.8050 3.8050 3.9815 3.9815 4.0383 4.0383 4.1099 4.1099 4.1203 4.1203 4.6052 4.6052 4.6283 4.6283 5.2834 5.2834 6.8524 6.8524 6.9426 6.9426 8.7551 8.7551 8.9642 8.9642 9.3501 9.3501 10.1695 10.1695 10.2792 10.2792 k = 0.0000 0.0000 0.4718 ( 5252 PWs) bands (ev): -19.9827 -19.9827 -6.9341 -6.9341 -6.2021 -6.2021 -4.7027 -4.7027 -3.8403 -3.8403 -3.8378 -3.8378 0.4253 0.4253 0.6772 0.6772 0.9480 0.9480 2.1224 2.1224 2.2523 2.2523 2.3080 2.3080 2.5468 2.5468 3.1119 3.1119 3.2526 3.2526 3.4772 3.4772 3.6776 3.6776 3.7923 3.7923 3.9591 3.9591 4.0360 4.0360 4.1014 4.1014 4.1080 4.1080 4.6020 4.6020 4.6281 4.6281 5.2834 5.2834 6.8717 6.8717 6.9623 6.9623 8.7253 8.7253 8.9683 8.9683 9.4071 9.4071 10.1433 10.1433 10.2571 10.2571 k = 0.0000 0.0000 0.4906 ( 5258 PWs) bands (ev): -19.9827 -19.9827 -6.9270 -6.9270 -6.2099 -6.2099 -4.7030 -4.7030 -3.8413 -3.8413 -3.8378 -3.8378 0.4262 0.4262 0.6821 0.6821 0.9544 0.9544 2.1229 2.1229 2.2539 2.2539 2.3338 2.3338 2.5541 2.5541 3.1131 3.1131 3.2618 3.2618 3.4459 3.4459 3.6632 3.6632 3.7802 3.7802 3.9381 3.9381 4.0344 4.0344 4.0955 4.0955 4.0976 4.0976 4.5994 4.5994 4.6280 4.6280 5.2834 5.2834 6.8885 6.8885 6.9798 6.9798 8.6996 8.6996 8.9664 8.9664 9.4667 9.4667 10.1204 10.1204 10.2381 10.2381 k = 0.0000 0.0000 0.5095 ( 5264 PWs) bands (ev): -19.9826 -19.9826 -6.9210 -6.9210 -6.2165 -6.2165 -4.7034 -4.7034 -3.8421 -3.8421 -3.8378 -3.8378 0.4268 0.4268 0.6862 0.6862 0.9598 0.9598 2.1233 2.1233 2.2553 2.2553 2.3556 2.3556 2.5620 2.5620 3.1165 3.1165 3.2700 3.2700 3.4131 3.4131 3.6533 3.6533 3.7692 3.7692 3.9197 3.9197 4.0332 4.0332 4.0893 4.0893 4.0913 4.0913 4.5973 4.5973 4.6280 4.6280 5.2834 5.2834 6.9026 6.9026 6.9946 6.9946 8.6781 8.6781 8.9621 8.9621 9.5230 9.5230 10.1011 10.1011 10.2223 10.2223 k = 0.0000 0.0000 0.5284 ( 5252 PWs) bands (ev): -19.9826 -19.9826 -6.9162 -6.9162 -6.2218 -6.2218 -4.7036 -4.7036 -3.8427 -3.8427 -3.8378 -3.8378 0.4272 0.4272 0.6895 0.6895 0.9641 0.9641 2.1235 2.1235 2.2564 2.2564 2.3727 2.3727 2.5699 2.5699 3.1218 3.1218 3.2769 3.2769 3.3818 3.3818 3.6469 3.6469 3.7599 3.7599 3.9047 3.9047 4.0323 4.0323 4.0828 4.0828 4.0884 4.0884 4.5957 4.5957 4.6279 4.6279 5.2834 5.2834 6.9138 6.9138 7.0065 7.0065 8.6612 8.6612 8.9574 8.9574 9.5718 9.5718 10.0855 10.0855 10.2100 10.2100 k = 0.0000 0.0000 0.5473 ( 5276 PWs) bands (ev): -19.9826 -19.9826 -6.9127 -6.9127 -6.2257 -6.2257 -4.7038 -4.7038 -3.8432 -3.8432 -3.8379 -3.8379 0.4275 0.4275 0.6918 0.6918 0.9672 0.9672 2.1238 2.1238 2.2572 2.2572 2.3849 2.3849 2.5768 2.5768 3.1278 3.1278 3.2822 3.2822 3.3553 3.3553 3.6430 3.6430 3.7527 3.7527 3.8937 3.8937 4.0316 4.0316 4.0783 4.0783 4.0865 4.0865 4.5946 4.5946 4.6279 4.6279 5.2834 5.2834 6.9219 6.9219 7.0152 7.0152 8.6489 8.6489 8.9534 8.9534 9.6095 9.6095 10.0741 10.0741 10.2012 10.2012 k = 0.0000 0.0000 0.5661 ( 5258 PWs) bands (ev): -19.9826 -19.9826 -6.9106 -6.9106 -6.2280 -6.2280 -4.7039 -4.7039 -3.8435 -3.8435 -3.8379 -3.8379 0.4276 0.4276 0.6932 0.6932 0.9691 0.9691 2.1239 2.1239 2.2577 2.2577 2.3920 2.3920 2.5816 2.5816 3.1329 3.1329 3.2855 3.2855 3.3372 3.3372 3.6409 3.6409 3.7483 3.7483 3.8869 3.8869 4.0312 4.0312 4.0756 4.0756 4.0854 4.0854 4.5940 4.5940 4.6278 4.6278 5.2834 5.2834 6.9268 6.9268 7.0205 7.0205 8.6415 8.6415 8.9508 8.9508 9.6334 9.6334 10.0671 10.0671 10.1958 10.1958 k = 0.0000 0.0000 0.5850 ( 5276 PWs) bands (ev): -19.9826 -19.9826 -6.9098 -6.9098 -6.2288 -6.2288 -4.7039 -4.7039 -3.8435 -3.8435 -3.8379 -3.8379 0.4277 0.4277 0.6937 0.6937 0.9697 0.9697 2.1239 2.1239 2.2578 2.2578 2.3944 2.3944 2.5834 2.5834 3.1349 3.1349 3.2867 3.2867 3.3307 3.3307 3.6402 3.6402 3.7467 3.7467 3.8846 3.8846 4.0311 4.0311 4.0747 4.0747 4.0851 4.0851 4.5938 4.5938 4.6278 4.6278 5.2834 5.2834 6.9285 6.9285 7.0223 7.0223 8.6390 8.6390 8.9499 8.9499 9.6416 9.6416 10.0647 10.0647 10.1940 10.1940 k = 0.0000 0.0000 0.5850 ( 5276 PWs) bands (ev): -19.9826 -19.9826 -6.9098 -6.9098 -6.2288 -6.2288 -4.7039 -4.7039 -3.8435 -3.8435 -3.8379 -3.8379 0.4277 0.4277 0.6937 0.6937 0.9697 0.9697 2.1239 2.1239 2.2578 2.2578 2.3944 2.3944 2.5834 2.5834 3.1349 3.1349 3.2867 3.2867 3.3307 3.3307 3.6402 3.6402 3.7467 3.7467 3.8846 3.8846 4.0311 4.0311 4.0747 4.0747 4.0851 4.0851 4.5938 4.5938 4.6278 4.6278 5.2834 5.2834 6.9285 6.9285 7.0223 7.0223 8.6390 8.6390 8.9499 8.9499 9.6416 9.6416 10.0647 10.0647 10.1940 10.1940 k = 0.0167 0.0096 0.5850 ( 5262 PWs) bands (ev): -19.9826 -19.9826 -6.9094 -6.9094 -6.2293 -6.2293 -4.7039 -4.7039 -3.8435 -3.8435 -3.8377 -3.8377 0.4284 0.4284 0.6940 0.6940 0.9701 0.9701 2.1238 2.1238 2.2581 2.2581 2.3937 2.3937 2.5833 2.5833 3.1332 3.1332 3.2804 3.2804 3.3327 3.3327 3.6412 3.6412 3.7449 3.7449 3.8869 3.8869 4.0348 4.0348 4.0750 4.0750 4.0869 4.0869 4.5941 4.5941 4.6279 4.6279 5.2817 5.2817 6.9233 6.9233 7.0177 7.0177 8.6443 8.6443 8.9540 8.9540 9.6440 9.6440 10.0645 10.0645 10.1933 10.1933 k = 0.0333 0.0192 0.5850 ( 5264 PWs) bands (ev): -19.9826 -19.9826 -6.9081 -6.9081 -6.2309 -6.2309 -4.7036 -4.7036 -3.8435 -3.8435 -3.8374 -3.8374 0.4304 0.4304 0.6950 0.6950 0.9712 0.9712 2.1232 2.1232 2.2588 2.2588 2.3914 2.3914 2.5833 2.5833 3.1282 3.1282 3.2646 3.2646 3.3361 3.3361 3.6433 3.6433 3.7411 3.7411 3.8929 3.8929 4.0455 4.0455 4.0758 4.0758 4.0927 4.0927 4.5951 4.5951 4.6281 4.6281 5.2765 5.2765 6.9078 6.9078 7.0043 7.0043 8.6599 8.6599 8.9661 8.9661 9.6510 9.6510 10.0640 10.0640 10.1916 10.1916 k = 0.0500 0.0289 0.5850 ( 5272 PWs) bands (ev): -19.9826 -19.9826 -6.9059 -6.9059 -6.2336 -6.2336 -4.7033 -4.7033 -3.8434 -3.8434 -3.8368 -3.8368 0.4338 0.4338 0.6965 0.6965 0.9731 0.9731 2.1223 2.1223 2.2600 2.2600 2.3877 2.3877 2.5833 2.5833 3.1200 3.1200 3.2434 3.2434 3.3380 3.3380 3.6437 3.6437 3.7388 3.7388 3.9012 3.9012 4.0608 4.0608 4.0775 4.0775 4.1035 4.1035 4.5968 4.5968 4.6287 4.6287 5.2678 5.2678 6.8824 6.8824 6.9831 6.9831 8.6841 8.6841 8.9857 8.9857 9.6627 9.6627 10.0634 10.0634 10.1901 10.1901 k = 0.0667 0.0385 0.5850 ( 5262 PWs) bands (ev): -19.9826 -19.9826 -6.9028 -6.9028 -6.2373 -6.2373 -4.7027 -4.7027 -3.8434 -3.8434 -3.8359 -3.8359 0.4385 0.4385 0.6987 0.6987 0.9757 0.9757 2.1208 2.1208 2.2616 2.2616 2.3826 2.3826 2.5834 2.5834 3.1086 3.1086 3.2194 3.2194 3.3374 3.3374 3.6396 3.6396 3.7412 3.7412 3.9107 3.9107 4.0717 4.0717 4.0864 4.0864 4.1207 4.1207 4.5991 4.5991 4.6298 4.6298 5.2557 5.2557 6.8479 6.8479 6.9558 6.9558 8.7145 8.7145 9.0122 9.0122 9.6787 9.6787 10.0637 10.0637 10.1903 10.1903 k = 0.0833 0.0481 0.5850 ( 5262 PWs) bands (ev): -19.9826 -19.9826 -6.8989 -6.8989 -6.2419 -6.2419 -4.7021 -4.7021 -3.8435 -3.8435 -3.8347 -3.8347 0.4444 0.4444 0.7015 0.7015 0.9793 0.9793 2.1187 2.1187 2.2636 2.2636 2.3761 2.3761 2.5836 2.5836 3.0937 3.0937 3.1949 3.1949 3.3341 3.3341 3.6306 3.6306 3.7488 3.7488 3.9208 3.9208 4.0737 4.0737 4.1034 4.1034 4.1460 4.1460 4.6021 4.6021 4.6318 4.6318 5.2404 5.2404 6.8053 6.8053 6.9238 6.9238 8.7476 8.7476 9.0454 9.0454 9.6982 9.6982 10.0663 10.0663 10.1938 10.1938 k = 0.1000 0.0577 0.5850 ( 5254 PWs) bands (ev): -19.9826 -19.9826 -6.8941 -6.8941 -6.2476 -6.2476 -4.7014 -4.7014 -3.8436 -3.8436 -3.8333 -3.8333 0.4516 0.4516 0.7049 0.7049 0.9838 0.9838 2.1158 2.1158 2.2661 2.2661 2.3683 2.3683 2.5842 2.5842 3.0744 3.0744 3.1722 3.1722 3.3281 3.3281 3.6184 3.6184 3.7596 3.7596 3.9313 3.9313 4.0743 4.0743 4.1202 4.1202 4.1783 4.1783 4.6056 4.6056 4.6351 4.6351 5.2219 5.2219 6.7560 6.7560 6.8886 6.8886 8.7797 8.7797 9.0854 9.0854 9.7198 9.7198 10.0739 10.0739 10.2017 10.2017 k = 0.1167 0.0674 0.5850 ( 5250 PWs) bands (ev): -19.9826 -19.9826 -6.8886 -6.8886 -6.2541 -6.2541 -4.7005 -4.7005 -3.8438 -3.8438 -3.8316 -3.8316 0.4599 0.4599 0.7090 0.7090 0.9893 0.9893 2.1119 2.1119 2.2688 2.2688 2.3596 2.3596 2.5851 2.5851 3.0497 3.0497 3.1535 3.1535 3.3198 3.3198 3.6049 3.6049 3.7717 3.7717 3.9419 3.9419 4.0747 4.0747 4.1364 4.1364 4.2150 4.2150 4.6099 4.6099 4.6402 4.6402 5.2006 5.2006 6.7012 6.7012 6.8516 6.8516 8.8072 8.8072 9.1325 9.1325 9.7415 9.7415 10.0893 10.0893 10.2153 10.2153 k = 0.1333 0.0770 0.5850 ( 5254 PWs) bands (ev): -19.9826 -19.9826 -6.8822 -6.8822 -6.2616 -6.2616 -4.6996 -4.6996 -3.8441 -3.8441 -3.8297 -3.8297 0.4692 0.4692 0.7137 0.7137 0.9958 0.9958 2.1067 2.1067 2.2717 2.2717 2.3503 2.3503 2.5865 2.5865 3.0197 3.0197 3.1396 3.1396 3.3094 3.3094 3.5910 3.5910 3.7837 3.7837 3.9525 3.9525 4.0751 4.0751 4.1518 4.1518 4.2540 4.2540 4.6153 4.6153 4.6474 4.6474 5.1766 5.1766 6.6424 6.6424 6.8137 6.8137 8.8277 8.8277 9.1864 9.1864 9.7612 9.7612 10.1150 10.1150 10.2357 10.2357 k = 0.1500 0.0866 0.5850 ( 5246 PWs) bands (ev): -19.9825 -19.9825 -6.8751 -6.8751 -6.2698 -6.2698 -4.6987 -4.6987 -3.8444 -3.8444 -3.8276 -3.8276 0.4794 0.4794 0.7193 0.7193 1.0035 1.0035 2.0999 2.0999 2.2744 2.2744 2.3411 2.3411 2.5882 2.5882 2.9854 2.9854 3.1303 3.1303 3.2974 3.2974 3.5775 3.5775 3.7951 3.7951 3.9626 3.9626 4.0756 4.0756 4.1664 4.1664 4.2932 4.2932 4.6222 4.6222 4.6569 4.6569 5.1504 5.1504 6.5811 6.5811 6.7757 6.7757 8.8402 8.8402 9.2457 9.2457 9.7776 9.7776 10.1515 10.1515 10.2647 10.2647 k = 0.1667 0.0962 0.5850 ( 5230 PWs) bands (ev): -19.9825 -19.9825 -6.8673 -6.8673 -6.2788 -6.2788 -4.6977 -4.6977 -3.8448 -3.8448 -3.8254 -3.8254 0.4903 0.4903 0.7258 0.7258 1.0124 1.0124 2.0914 2.0914 2.2764 2.2764 2.3326 2.3326 2.5904 2.5904 2.9480 2.9480 3.1248 3.1248 3.2841 3.2841 3.5645 3.5645 3.8055 3.8055 3.9716 3.9716 4.0762 4.0762 4.1798 4.1798 4.3308 4.3308 4.6312 4.6312 4.6692 4.6692 5.1223 5.1223 6.5184 6.5184 6.7383 6.7383 8.8455 8.8455 9.3082 9.3082 9.7908 9.7908 10.1969 10.1969 10.3044 10.3044 k = 0.1833 0.1058 0.5850 ( 5226 PWs) bands (ev): -19.9825 -19.9825 -6.8588 -6.8588 -6.2885 -6.2885 -4.6967 -4.6967 -3.8452 -3.8452 -3.8231 -3.8231 0.5018 0.5018 0.7333 0.7333 1.0224 1.0224 2.0807 2.0807 2.2772 2.2772 2.3260 2.3260 2.5930 2.5930 2.9086 2.9086 3.1224 3.1224 3.2703 3.2703 3.5522 3.5522 3.8150 3.8150 3.9793 3.9793 4.0770 4.0770 4.1917 4.1917 4.3651 4.3651 4.6428 4.6428 4.6845 4.6845 5.0929 5.0929 6.4553 6.4553 6.7018 6.7018 8.8450 8.8450 9.3712 9.3712 9.8015 9.8015 10.2485 10.2485 10.3565 10.3565 k = 0.2000 0.1155 0.5850 ( 5226 PWs) bands (ev): -19.9825 -19.9825 -6.8496 -6.8496 -6.2989 -6.2989 -4.6957 -4.6957 -3.8456 -3.8456 -3.8208 -3.8208 0.5135 0.5135 0.7421 0.7421 1.0336 1.0336 2.0678 2.0678 2.2760 2.2760 2.3222 2.3222 2.5958 2.5958 2.8678 2.8678 3.1226 3.1226 3.2565 3.2565 3.5404 3.5404 3.8237 3.8237 3.9853 3.9853 4.0776 4.0776 4.2016 4.2016 4.3945 4.3945 4.6568 4.6568 4.7038 4.7038 5.0631 5.0631 6.3928 6.3928 6.6668 6.6668 8.8403 8.8403 9.4321 9.4321 9.8110 9.8110 10.3047 10.3047 10.4207 10.4207 k = 0.2167 0.1251 0.5850 ( 5224 PWs) bands (ev): -19.9825 -19.9825 -6.8399 -6.8399 -6.3098 -6.3098 -4.6947 -4.6947 -3.8461 -3.8461 -3.8184 -3.8184 0.5253 0.5253 0.7524 0.7524 1.0458 1.0458 2.0526 2.0526 2.2727 2.2727 2.3215 2.3215 2.5987 2.5987 2.8263 2.8263 3.1248 3.1248 3.2436 3.2436 3.5290 3.5290 3.8317 3.8317 3.9894 3.9894 4.0782 4.0782 4.2094 4.2094 4.4180 4.4180 4.6719 4.6719 4.7276 4.7276 5.0338 5.0338 6.3316 6.3316 6.6334 6.6334 8.8331 8.8331 9.4887 9.4887 9.8202 9.8202 10.3660 10.3660 10.4940 10.4940 k = 0.2333 0.1347 0.5850 ( 5236 PWs) bands (ev): -19.9825 -19.9825 -6.8295 -6.8295 -6.3213 -6.3213 -4.6938 -4.6938 -3.8467 -3.8467 -3.8161 -3.8161 0.5368 0.5368 0.7644 0.7644 1.0590 1.0590 2.0352 2.0352 2.2682 2.2682 2.3231 2.3231 2.6014 2.6014 2.7846 2.7846 3.1284 3.1284 3.2323 3.2323 3.5180 3.5180 3.8391 3.8391 3.9917 3.9917 4.0784 4.0784 4.2148 4.2148 4.4354 4.4354 4.6868 4.6868 4.7558 4.7558 5.0067 5.0067 6.2724 6.2724 6.6018 6.6018 8.8249 8.8249 9.5394 9.5394 9.8295 9.8295 10.4327 10.4327 10.5724 10.5724 k = 0.2500 0.1443 0.5850 ( 5240 PWs) bands (ev): -19.9824 -19.9824 -6.8187 -6.8187 -6.3331 -6.3331 -4.6929 -4.6929 -3.8472 -3.8472 -3.8138 -3.8138 0.5479 0.5479 0.7783 0.7783 1.0730 1.0730 2.0156 2.0156 2.2633 2.2633 2.3261 2.3261 2.6035 2.6035 2.7435 2.7435 3.1326 3.1326 3.2239 3.2239 3.5072 3.5072 3.8460 3.8460 3.9922 3.9922 4.0782 4.0782 4.2178 4.2178 4.4471 4.4471 4.7001 4.7001 4.7863 4.7863 4.9842 4.9842 6.2157 6.2157 6.5721 6.5721 8.8168 8.8168 9.5833 9.5833 9.8393 9.8393 10.5032 10.5032 10.6525 10.6525 k = 0.2667 0.1540 0.5850 ( 5230 PWs) bands (ev): -19.9824 -19.9824 -6.8075 -6.8075 -6.3454 -6.3454 -4.6921 -4.6921 -3.8478 -3.8478 -3.8115 -3.8115 0.5582 0.5582 0.7943 0.7943 1.0877 1.0877 1.9942 1.9942 2.2587 2.2587 2.3296 2.3296 2.6035 2.6035 2.7045 2.7045 3.1361 3.1361 3.2194 3.2194 3.4966 3.4966 3.8525 3.8525 3.9910 3.9910 4.0778 4.0778 4.2183 4.2183 4.4537 4.4537 4.7106 4.7106 4.8148 4.8148 4.9710 4.9710 6.1619 6.1619 6.5443 6.5443 8.8100 8.8100 9.6205 9.6205 9.8497 9.8497 10.5723 10.5723 10.7329 10.7329 k = 0.2833 0.1636 0.5850 ( 5230 PWs) bands (ev): -19.9824 -19.9824 -6.7958 -6.7958 -6.3579 -6.3579 -4.6913 -4.6913 -3.8484 -3.8484 -3.8094 -3.8094 0.5677 0.5677 0.8125 0.8125 1.1028 1.1028 1.9714 1.9714 2.2545 2.2545 2.3333 2.3333 2.5982 2.5982 2.6713 2.6713 3.1383 3.1383 3.2199 3.2199 3.4860 3.4860 3.8584 3.8584 3.9883 3.9883 4.0772 4.0772 4.2164 4.2164 4.4558 4.4558 4.7170 4.7170 4.8355 4.8355 4.9731 4.9731 6.1111 6.1111 6.5186 6.5186 8.8051 8.8051 9.6511 9.6511 9.8605 9.8605 10.6306 10.6306 10.8172 10.8172 k = 0.3000 0.1732 0.5850 ( 5240 PWs) bands (ev): -19.9824 -19.9824 -6.7839 -6.7839 -6.3707 -6.3707 -4.6906 -4.6906 -3.8489 -3.8489 -3.8074 -3.8074 0.5763 0.5763 0.8329 0.8329 1.1181 1.1181 1.9475 1.9475 2.2509 2.2509 2.3366 2.3366 2.5807 2.5807 2.6509 2.6509 3.1388 3.1388 3.2255 3.2255 3.4756 3.4756 3.8639 3.8639 3.9841 3.9841 4.0766 4.0766 4.2124 4.2124 4.4537 4.4537 4.7180 4.7180 4.8465 4.8465 4.9932 4.9932 6.0635 6.0635 6.4948 6.4948 8.8025 8.8025 9.6760 9.6760 9.8717 9.8717 10.6694 10.6694 10.9110 10.9110 k = 0.3167 0.1828 0.5850 ( 5240 PWs) bands (ev): -19.9824 -19.9824 -6.7718 -6.7718 -6.3835 -6.3835 -4.6900 -4.6900 -3.8495 -3.8495 -3.8055 -3.8055 0.5838 0.5838 0.8553 0.8553 1.1332 1.1332 1.9230 1.9230 2.2477 2.2477 2.3394 2.3394 2.5509 2.5509 2.6438 2.6438 3.1387 3.1387 3.2351 3.2351 3.4654 3.4654 3.8687 3.8687 3.9786 3.9786 4.0762 4.0762 4.2065 4.2065 4.4475 4.4475 4.7132 4.7132 4.8530 4.8530 5.0259 5.0259 6.0192 6.0192 6.4730 6.4730 8.8025 8.8025 9.6960 9.6960 9.8830 9.8830 10.6883 10.6883 11.0165 11.0165 k = 0.3333 0.1925 0.5850 ( 5248 PWs) bands (ev): -19.9824 -19.9824 -6.7595 -6.7595 -6.3965 -6.3965 -4.6895 -4.6895 -3.8501 -3.8501 -3.8037 -3.8037 0.5904 0.5904 0.8795 0.8795 1.1478 1.1478 1.8983 1.8983 2.2448 2.2448 2.3414 2.3414 2.5167 2.5167 2.6427 2.6427 3.1389 3.1389 3.2473 3.2473 3.4556 3.4556 3.8729 3.8729 3.9718 3.9718 4.0762 4.0762 4.1994 4.1994 4.4374 4.4374 4.7042 4.7042 4.8597 4.8597 5.0647 5.0647 5.9780 5.9780 6.4532 6.4532 8.8050 8.8050 9.7120 9.7120 9.8942 9.8942 10.6932 10.6932 11.1316 11.1316 k = 0.3500 0.2021 0.5850 ( 5248 PWs) bands (ev): -19.9823 -19.9823 -6.7472 -6.7472 -6.4093 -6.4093 -4.6890 -4.6890 -3.8506 -3.8506 -3.8022 -3.8022 0.5961 0.5961 0.9054 0.9054 1.1614 1.1614 1.8738 1.8738 2.2420 2.2420 2.3423 2.3423 2.4826 2.4826 2.6437 2.6437 3.1403 3.1403 3.2607 3.2607 3.4465 3.4465 3.8761 3.8761 3.9641 3.9641 4.0767 4.0767 4.1917 4.1917 4.4235 4.4235 4.6930 4.6930 4.8679 4.8679 5.1057 5.1057 5.9397 5.9397 6.4353 6.4353 8.8099 8.8099 9.7247 9.7247 9.9051 9.9051 10.6899 10.6899 11.2537 11.2537 k = 0.3667 0.2117 0.5850 ( 5248 PWs) bands (ev): -19.9823 -19.9823 -6.7350 -6.7350 -6.4220 -6.4220 -4.6886 -4.6886 -3.8511 -3.8511 -3.8007 -3.8007 0.6009 0.6009 0.9325 0.9325 1.1736 1.1736 1.8501 1.8501 2.2391 2.2391 2.3416 2.3416 2.4510 2.4510 2.6453 2.6453 3.1435 3.1435 3.2737 3.2737 3.4387 3.4387 3.8785 3.8785 3.9554 3.9554 4.0776 4.0776 4.1843 4.1843 4.4064 4.4064 4.6816 4.6816 4.8771 4.8771 5.1469 5.1469 5.9042 5.9042 6.4192 6.4192 8.8168 8.8168 9.7347 9.7347 9.9155 9.9155 10.6826 10.6826 11.3803 11.3803 k = 0.3833 0.2213 0.5850 ( 5248 PWs) bands (ev): -19.9823 -19.9823 -6.7231 -6.7231 -6.4342 -6.4342 -4.6883 -4.6883 -3.8516 -3.8516 -3.7995 -3.7995 0.6051 0.6051 0.9604 0.9604 1.1837 1.1837 1.8276 1.8276 2.2359 2.2359 2.3386 2.3386 2.4240 2.4240 2.6470 2.6470 3.1485 3.1485 3.2848 3.2848 3.4332 3.4332 3.8799 3.8799 3.9459 3.9459 4.0787 4.0787 4.1781 4.1781 4.3866 4.3866 4.6710 4.6710 4.8864 4.8864 5.1872 5.1872 5.8714 5.8714 6.4050 6.4050 8.8251 8.8251 9.7425 9.7425 9.9251 9.9251 10.6738 10.6738 11.5097 11.5097 k = 0.4000 0.2309 0.5850 ( 5240 PWs) bands (ev): -19.9823 -19.9823 -6.7117 -6.7117 -6.4460 -6.4460 -4.6880 -4.6880 -3.8520 -3.8520 -3.7984 -3.7984 0.6085 0.6085 0.9888 0.9888 1.1913 1.1913 1.8069 1.8069 2.2321 2.2321 2.3324 2.3324 2.4032 2.4032 2.6485 2.6485 3.1553 3.1553 3.2923 3.2923 3.4309 3.4309 3.8804 3.8804 3.9359 3.9359 4.0795 4.0795 4.1745 4.1745 4.3650 4.3650 4.6619 4.6619 4.8955 4.8955 5.2256 5.2256 5.8412 5.8412 6.3928 6.3928 8.8343 8.8343 9.7486 9.7486 9.9337 9.9337 10.6652 10.6652 11.6398 11.6398 k = 0.4167 0.2406 0.5850 ( 5244 PWs) bands (ev): -19.9823 -19.9823 -6.7010 -6.7010 -6.4570 -6.4570 -4.6878 -4.6878 -3.8524 -3.8524 -3.7975 -3.7975 0.6113 0.6113 1.0169 1.0169 1.1959 1.1959 1.7884 1.7884 2.2274 2.2274 2.3231 2.3231 2.3895 2.3895 2.6498 2.6498 3.1638 3.1638 3.2950 3.2950 3.4324 3.4324 3.8802 3.8802 3.9256 3.9256 4.0798 4.0798 4.1743 4.1743 4.3422 4.3422 4.6542 4.6542 4.9037 4.9037 5.2613 5.2613 5.8136 5.8136 6.3824 6.3824 8.8437 8.8437 9.7532 9.7532 9.9413 9.9413 10.6576 10.6576 11.7684 11.7684 k = 0.4333 0.2502 0.5850 ( 5240 PWs) bands (ev): -19.9823 -19.9823 -6.6913 -6.6913 -6.4668 -6.4668 -4.6876 -4.6876 -3.8527 -3.8527 -3.7967 -3.7967 0.6136 0.6136 1.0442 1.0442 1.1970 1.1970 1.7727 1.7727 2.2218 2.2218 2.3128 2.3128 2.3816 2.3816 2.6509 2.6509 3.1736 3.1736 3.2930 3.2930 3.4372 3.4372 3.8797 3.8797 3.9155 3.9155 4.0792 4.0792 4.1781 4.1781 4.3190 4.3190 4.6481 4.6481 4.9109 4.9109 5.2932 5.2932 5.7891 5.7891 6.3738 6.3738 8.8525 8.8525 9.7567 9.7567 9.9476 9.9476 10.6514 10.6514 11.8924 11.8924 k = 0.4500 0.2598 0.5850 ( 5244 PWs) bands (ev): -19.9823 -19.9823 -6.6831 -6.6831 -6.4752 -6.4752 -4.6875 -4.6875 -3.8530 -3.8530 -3.7962 -3.7962 0.6153 0.6153 1.0698 1.0698 1.1946 1.1946 1.7601 1.7601 2.2158 2.2158 2.3038 2.3038 2.3773 2.3773 2.6517 2.6517 3.1840 3.1840 3.2873 3.2873 3.4438 3.4438 3.8790 3.8790 3.9062 3.9062 4.0782 4.0782 4.1859 4.1859 4.2961 4.2961 4.6435 4.6435 4.9166 4.9166 5.3204 5.3204 5.7682 5.7682 6.3672 6.3672 8.8602 8.8602 9.7592 9.7592 9.9526 9.9526 10.6468 10.6468 12.0071 12.0071 k = 0.4667 0.2694 0.5850 ( 5244 PWs) bands (ev): -19.9823 -19.9823 -6.6767 -6.6767 -6.4817 -6.4817 -4.6874 -4.6874 -3.8532 -3.8532 -3.7957 -3.7957 0.6166 0.6166 1.0924 1.0924 1.1892 1.1892 1.7510 1.7510 2.2103 2.2103 2.2974 2.2974 2.3749 2.3749 2.6522 2.6522 3.1941 3.1941 3.2800 3.2800 3.4502 3.4502 3.8787 3.8787 3.8983 3.8983 4.0770 4.0770 4.1971 4.1971 4.2743 4.2743 4.6403 4.6403 4.9209 4.9209 5.3415 5.3415 5.7519 5.7519 6.3624 6.3624 8.8661 8.8661 9.7609 9.7609 9.9561 9.9561 10.6437 10.6437 12.1052 12.1052 k = 0.4833 0.2791 0.5850 ( 5244 PWs) bands (ev): -19.9823 -19.9823 -6.6726 -6.6726 -6.4858 -6.4858 -4.6873 -4.6873 -3.8533 -3.8533 -3.7955 -3.7955 0.6173 0.6173 1.1094 1.1094 1.1826 1.1826 1.7454 1.7454 2.2065 2.2065 2.2937 2.2937 2.3737 2.3737 2.6525 2.6525 3.2019 3.2019 3.2735 3.2735 3.4547 3.4547 3.8787 3.8787 3.8928 3.8928 4.0761 4.0761 4.2103 4.2103 4.2547 4.2547 4.6383 4.6383 4.9235 4.9235 5.3549 5.3549 5.7414 5.7414 6.3596 6.3596 8.8699 8.8699 9.7619 9.7619 9.9583 9.9583 10.6420 10.6420 12.1752 12.1752 k = 0.5000 0.2887 0.5850 ( 5244 PWs) bands (ev): -19.9823 -19.9823 -6.6713 -6.6713 -6.4872 -6.4872 -4.6873 -4.6873 -3.8533 -3.8533 -3.7954 -3.7954 0.6175 0.6175 1.1163 1.1163 1.1793 1.1793 1.7436 1.7436 2.2051 2.2051 2.2925 2.2925 2.3734 2.3734 2.6526 2.6526 3.2051 3.2051 3.2708 3.2708 3.4564 3.4564 3.8789 3.8789 3.8908 3.8908 4.0758 4.0758 4.2193 4.2193 4.2436 4.2436 4.6377 4.6377 4.9244 4.9244 5.3596 5.3596 5.7377 5.7377 6.3586 6.3586 8.8712 8.8712 9.7622 9.7622 9.9590 9.9590 10.6414 10.6414 12.2016 12.2016 k = 0.5000 0.2887 0.5850 ( 5244 PWs) bands (ev): -19.9823 -19.9823 -6.6713 -6.6713 -6.4872 -6.4872 -4.6873 -4.6873 -3.8533 -3.8533 -3.7954 -3.7954 0.6175 0.6175 1.1163 1.1163 1.1793 1.1793 1.7436 1.7436 2.2051 2.2051 2.2925 2.2925 2.3734 2.3734 2.6526 2.6526 3.2051 3.2051 3.2708 3.2708 3.4564 3.4564 3.8789 3.8789 3.8908 3.8908 4.0758 4.0758 4.2193 4.2193 4.2436 4.2436 4.6377 4.6377 4.9244 4.9244 5.3596 5.3596 5.7377 5.7377 6.3586 6.3586 8.8712 8.8712 9.7622 9.7622 9.9590 9.9590 10.6414 10.6414 12.2016 12.2016 k = 0.4907 0.3047 0.5850 ( 5244 PWs) bands (ev): -19.9823 -19.9823 -6.6709 -6.6709 -6.4875 -6.4875 -4.6873 -4.6873 -3.8533 -3.8533 -3.7955 -3.7955 0.6186 0.6186 1.1143 1.1143 1.1813 1.1813 1.7439 1.7439 2.2030 2.2030 2.2906 2.2906 2.3757 2.3757 2.6526 2.6526 3.2056 3.2056 3.2707 3.2707 3.4567 3.4567 3.8643 3.8643 3.9026 3.9026 4.0777 4.0777 4.2170 4.2170 4.2465 4.2465 4.6368 4.6368 4.9250 4.9250 5.3594 5.3594 5.7388 5.7388 6.3549 6.3549 8.8760 8.8760 9.7620 9.7620 9.9586 9.9586 10.6456 10.6456 12.1887 12.1887 k = 0.4815 0.3208 0.5850 ( 5240 PWs) bands (ev): -19.9823 -19.9823 -6.6700 -6.6700 -6.4883 -6.4883 -4.6873 -4.6873 -3.8531 -3.8531 -3.7959 -3.7959 0.6219 0.6219 1.1087 1.1087 1.1869 1.1869 1.7449 1.7449 2.1970 2.1970 2.2855 2.2855 2.3823 2.3823 2.6525 2.6525 3.2073 3.2073 3.2707 3.2707 3.4577 3.4577 3.8426 3.8426 3.9161 3.9161 4.0829 4.0829 4.2120 4.2120 4.2534 4.2534 4.6342 4.6342 4.9270 4.9270 5.3588 5.3588 5.7418 5.7418 6.3438 6.3438 8.8904 8.8904 9.7616 9.7616 9.9574 9.9574 10.6579 10.6579 12.1546 12.1546 k = 0.4722 0.3368 0.5850 ( 5240 PWs) bands (ev): -19.9823 -19.9823 -6.6685 -6.6685 -6.4898 -6.4898 -4.6874 -4.6874 -3.8528 -3.8528 -3.7964 -3.7964 0.6274 0.6274 1.1010 1.1010 1.1945 1.1945 1.7464 1.7464 2.1875 2.1875 2.2779 2.2779 2.3917 2.3917 2.6522 2.6522 3.2099 3.2099 3.2707 3.2707 3.4593 3.4593 3.8185 3.8185 3.9276 3.9276 4.0903 4.0903 4.2064 4.2064 4.2624 4.2624 4.6302 4.6302 4.9300 4.9300 5.3579 5.3579 5.7466 5.7466 6.3260 6.3260 8.9138 8.9138 9.7610 9.7610 9.9554 9.9554 10.6783 10.6783 12.1083 12.1083 k = 0.4630 0.3528 0.5850 ( 5240 PWs) bands (ev): -19.9823 -19.9823 -6.6664 -6.6664 -6.4917 -6.4917 -4.6874 -4.6874 -3.8524 -3.8524 -3.7972 -3.7972 0.6349 0.6349 1.0920 1.0920 1.2034 1.2034 1.7485 1.7485 2.1754 2.1754 2.2686 2.2686 2.4030 2.4030 2.6518 2.6518 3.2135 3.2135 3.2709 3.2709 3.4613 3.4613 3.7929 3.7929 3.9375 3.9375 4.0984 4.0984 4.2011 4.2011 4.2730 4.2730 4.6250 4.6250 4.9337 4.9337 5.3567 5.3567 5.7530 5.7530 6.3024 6.3024 8.9455 8.9455 9.7602 9.7602 9.9526 9.9526 10.7064 10.7064 12.0570 12.0570 k = 0.4537 0.3689 0.5850 ( 5244 PWs) bands (ev): -19.9823 -19.9823 -6.6636 -6.6636 -6.4943 -6.4943 -4.6875 -4.6875 -3.8518 -3.8518 -3.7981 -3.7981 0.6444 0.6444 1.0824 1.0824 1.2128 1.2128 1.7510 1.7510 2.1613 2.1613 2.2579 2.2579 2.4153 2.4153 2.6512 2.6512 3.2179 3.2179 3.2714 3.2714 3.4635 3.4635 3.7663 3.7663 3.9463 3.9463 4.1056 4.1056 4.1967 4.1967 4.2850 4.2850 4.6192 4.6192 4.9377 4.9377 5.3551 5.3551 5.7606 5.7606 6.2742 6.2742 8.9844 8.9844 9.7591 9.7591 9.9492 9.9492 10.7417 10.7417 12.0045 12.0045 k = 0.4444 0.3849 0.5850 ( 5256 PWs) bands (ev): -19.9823 -19.9823 -6.6603 -6.6603 -6.4974 -6.4974 -4.6875 -4.6875 -3.8512 -3.8512 -3.7992 -3.7992 0.6558 0.6558 1.0724 1.0724 1.2224 1.2224 1.7539 1.7539 2.1459 2.1459 2.2458 2.2458 2.4282 2.4282 2.6504 2.6504 3.2229 3.2229 3.2724 3.2724 3.4656 3.4656 3.7394 3.7394 3.9546 3.9546 4.1107 4.1107 4.1931 4.1931 4.2987 4.2987 4.6131 4.6131 4.9417 4.9417 5.3531 5.3531 5.7690 5.7690 6.2426 6.2426 9.0294 9.0294 9.7579 9.7579 9.9450 9.9450 10.7837 10.7837 11.9532 11.9532 k = 0.4352 0.4009 0.5850 ( 5260 PWs) bands (ev): -19.9823 -19.9823 -6.6564 -6.6564 -6.5011 -6.5011 -4.6876 -4.6876 -3.8505 -3.8505 -3.8005 -3.8005 0.6688 0.6688 1.0624 1.0624 1.2319 1.2319 1.7570 1.7570 2.1300 2.1300 2.2326 2.2326 2.4413 2.4413 2.6493 2.6493 3.2284 3.2284 3.2741 3.2741 3.4674 3.4674 3.7128 3.7128 3.9627 3.9627 4.1132 4.1132 4.1902 4.1902 4.3140 4.3140 4.6070 4.6070 4.9454 4.9454 5.3506 5.3506 5.7778 5.7778 6.2093 6.2093 9.0793 9.0793 9.7565 9.7565 9.9400 9.9400 10.8320 10.8320 11.9044 11.9044 k = 0.4259 0.4170 0.5850 ( 5264 PWs) bands (ev): -19.9823 -19.9823 -6.6519 -6.6519 -6.5054 -6.5054 -4.6877 -4.6877 -3.8497 -3.8497 -3.8019 -3.8019 0.6832 0.6832 1.0524 1.0524 1.2410 1.2410 1.7602 1.7602 2.1142 2.1142 2.2184 2.2184 2.4545 2.4545 2.6479 2.6479 3.2341 3.2341 3.2766 3.2766 3.4683 3.4683 3.6872 3.6872 3.9710 3.9710 4.1133 4.1133 4.1875 4.1875 4.3308 4.3308 4.6013 4.6013 4.9485 4.9485 5.3476 5.3476 5.7865 5.7865 6.1756 6.1756 9.1330 9.1330 9.7548 9.7548 9.9341 9.9341 10.8858 10.8858 11.8588 11.8588 k = 0.4167 0.4330 0.5850 ( 5260 PWs) bands (ev): -19.9823 -19.9823 -6.6468 -6.6468 -6.5102 -6.5102 -4.6877 -4.6877 -3.8488 -3.8488 -3.8033 -3.8033 0.6988 0.6988 1.0427 1.0427 1.2497 1.2497 1.7633 1.7633 2.0990 2.0990 2.2033 2.2033 2.4674 2.4674 2.6462 2.6462 3.2401 3.2401 3.2800 3.2800 3.4677 3.4677 3.6634 3.6634 3.9795 3.9795 4.1113 4.1113 4.1842 4.1842 4.3488 4.3488 4.5960 4.5960 4.9509 4.9509 5.3438 5.3438 5.7948 5.7948 6.1430 6.1430 9.1894 9.1894 9.7526 9.7526 9.9270 9.9270 10.9446 10.9446 11.8171 11.8171 k = 0.4074 0.4491 0.5850 ( 5258 PWs) bands (ev): -19.9823 -19.9823 -6.6412 -6.6412 -6.5155 -6.5155 -4.6878 -4.6878 -3.8479 -3.8479 -3.8048 -3.8048 0.7152 0.7152 1.0333 1.0333 1.2576 1.2576 1.7660 1.7660 2.0851 2.0851 2.1876 2.1876 2.4799 2.4799 2.6444 2.6444 3.2461 3.2461 3.2843 3.2843 3.4648 3.4648 3.6424 3.6424 3.9883 3.9883 4.1080 4.1080 4.1799 4.1799 4.3676 4.3676 4.5913 4.5913 4.9524 4.9524 5.3394 5.3394 5.8021 5.8021 6.1127 6.1127 9.2475 9.2475 9.7498 9.7498 9.9186 9.9186 11.0077 11.0077 11.7797 11.7797 k = 0.3981 0.4651 0.5850 ( 5252 PWs) bands (ev): -19.9823 -19.9823 -6.6350 -6.6350 -6.5215 -6.5215 -4.6879 -4.6879 -3.8470 -3.8470 -3.8062 -3.8062 0.7320 0.7320 1.0244 1.0244 1.2646 1.2646 1.7684 1.7684 2.0728 2.0728 2.1715 2.1715 2.4918 2.4918 2.6423 2.6423 3.2520 3.2520 3.2898 3.2898 3.4590 3.4590 3.6250 3.6250 3.9975 3.9975 4.1040 4.1040 4.1744 4.1744 4.3866 4.3866 4.5869 4.5869 4.9530 4.9530 5.3342 5.3342 5.8081 5.8081 6.0859 6.0859 9.3062 9.3062 9.7463 9.7463 9.9084 9.9084 11.0743 11.0743 11.7468 11.7468 k = 0.3889 0.4811 0.5850 ( 5256 PWs) bands (ev): -19.9822 -19.9822 -6.6283 -6.6283 -6.5279 -6.5279 -4.6879 -4.6879 -3.8460 -3.8460 -3.8077 -3.8077 0.7486 0.7486 1.0163 1.0163 1.2707 1.2707 1.7702 1.7702 2.0627 2.0627 2.1555 2.1555 2.5028 2.5028 2.6403 2.6403 3.2579 3.2579 3.2962 3.2962 3.4496 3.4496 3.6118 3.6118 4.0069 4.0069 4.0998 4.0998 4.1676 4.1676 4.4055 4.4055 4.5826 4.5826 4.9529 4.9529 5.3286 5.3286 5.8126 5.8126 6.0633 6.0633 9.3648 9.3648 9.7417 9.7417 9.8961 9.8961 11.1436 11.1436 11.7184 11.7184 k = 0.3796 0.4972 0.5850 ( 5252 PWs) bands (ev): -19.9822 -19.9822 -6.6211 -6.6211 -6.5350 -6.5350 -4.6880 -4.6880 -3.8452 -3.8452 -3.8090 -3.8090 0.7645 0.7645 1.0092 1.0092 1.2756 1.2756 1.7714 1.7714 2.0549 2.0549 2.1398 2.1398 2.5126 2.5126 2.6383 2.6383 3.2636 3.2636 3.3037 3.3037 3.4369 3.4369 3.6028 3.6028 4.0166 4.0166 4.0956 4.0956 4.1597 4.1597 4.4239 4.4239 4.5781 4.5781 4.9520 4.9520 5.3228 5.3228 5.8156 5.8156 6.0452 6.0452 9.4225 9.4225 9.7361 9.7361 9.8814 9.8814 11.2146 11.2146 11.6944 11.6944 k = 0.3704 0.5132 0.5850 ( 5248 PWs) bands (ev): -19.9822 -19.9822 -6.6134 -6.6134 -6.5425 -6.5425 -4.6880 -4.6880 -3.8444 -3.8444 -3.8101 -3.8101 0.7787 0.7787 1.0034 1.0034 1.2794 1.2794 1.7721 1.7721 2.0494 2.0494 2.1251 2.1251 2.5210 2.5210 2.6365 2.6365 3.2691 3.2691 3.3121 3.3121 3.4216 3.4216 3.5973 3.5973 4.0260 4.0260 4.0919 4.0919 4.1511 4.1511 4.4413 4.4413 4.5731 4.5731 4.9508 4.9508 5.3173 5.3173 5.8171 5.8171 6.0317 6.0317 9.4782 9.4782 9.7296 9.7296 9.8639 9.8639 11.2861 11.2861 11.6743 11.6743 k = 0.3611 0.5292 0.5850 ( 5240 PWs) bands (ev): -19.9822 -19.9822 -6.6052 -6.6052 -6.5506 -6.5506 -4.6881 -4.6881 -3.8438 -3.8438 -3.8111 -3.8111 0.7907 0.7907 0.9992 0.9992 1.2820 1.2820 1.7724 1.7724 2.0462 2.0462 2.1120 2.1120 2.5278 2.5278 2.6350 2.6350 3.2742 3.2742 3.3216 3.3216 3.4049 3.4049 3.5944 3.5944 4.0348 4.0348 4.0893 4.0893 4.1421 4.1421 4.4572 4.4572 4.5673 4.5673 4.9495 4.9495 5.3125 5.3125 5.8176 5.8176 6.0223 6.0223 9.5306 9.5306 9.7230 9.7230 9.8435 9.8435 11.3562 11.3562 11.6581 11.6581 k = 0.3519 0.5453 0.5850 ( 5232 PWs) bands (ev): -19.9822 -19.9822 -6.5966 -6.5966 -6.5591 -6.5591 -4.6881 -4.6881 -3.8433 -3.8433 -3.8118 -3.8118 0.7996 0.7996 0.9966 0.9966 1.2835 1.2835 1.7724 1.7724 2.0446 2.0446 2.1015 2.1015 2.5326 2.5326 2.6340 2.6340 3.2786 3.2786 3.3318 3.3318 3.3882 3.3882 3.5930 3.5930 4.0420 4.0420 4.0881 4.0881 4.1336 4.1336 4.4708 4.4708 4.5611 4.5611 4.9484 4.9484 5.3088 5.3088 5.8174 5.8174 6.0163 6.0163 9.5765 9.5765 9.7186 9.7186 9.8201 9.8201 11.4212 11.4212 11.6467 11.6467 k = 0.3426 0.5613 0.5850 ( 5226 PWs) bands (ev): -19.9822 -19.9822 -6.5875 -6.5875 -6.5681 -6.5681 -4.6881 -4.6881 -3.8430 -3.8430 -3.8122 -3.8122 0.8050 0.8050 0.9955 0.9955 1.2842 1.2842 1.7723 1.7723 2.0439 2.0439 2.0946 2.0946 2.5355 2.5355 2.6335 2.6335 3.2818 3.2818 3.3423 3.3423 3.3730 3.3730 3.5924 3.5924 4.0466 4.0466 4.0887 4.0887 4.1267 4.1267 4.4807 4.4807 4.5556 4.5556 4.9477 4.9477 5.3065 5.3065 5.8170 5.8170 6.0131 6.0131 9.6089 9.6089 9.7221 9.7221 9.7952 9.7952 11.4716 11.4716 11.6447 11.6447 k = 0.3333 0.5774 0.5850 ( 5214 PWs) bands (ev): -19.9822 -19.9822 -6.5796 -6.5796 -6.5760 -6.5760 -4.6881 -4.6881 -3.8429 -3.8429 -3.8123 -3.8123 0.8068 0.8068 0.9953 0.9953 1.2844 1.2844 1.7723 1.7723 2.0437 2.0437 2.0923 2.0923 2.5365 2.5365 2.6333 2.6333 3.2831 3.2831 3.3487 3.3487 3.3648 3.3648 3.5923 3.5923 4.0480 4.0480 4.0896 4.0896 4.1238 4.1238 4.4846 4.4846 4.5532 4.5532 4.9475 4.9475 5.3058 5.3058 5.8168 5.8168 6.0122 6.0122 9.6195 9.6195 9.7314 9.7314 9.7788 9.7788 11.4906 11.4906 11.6522 11.6522 k = 0.3333 0.5774 0.5850 ( 5214 PWs) bands (ev): -19.9822 -19.9822 -6.5796 -6.5796 -6.5760 -6.5760 -4.6881 -4.6881 -3.8429 -3.8429 -3.8123 -3.8123 0.8068 0.8068 0.9953 0.9953 1.2844 1.2844 1.7723 1.7723 2.0437 2.0437 2.0923 2.0923 2.5365 2.5365 2.6333 2.6333 3.2831 3.2831 3.3487 3.3487 3.3648 3.3648 3.5923 3.5923 4.0480 4.0480 4.0896 4.0896 4.1238 4.1238 4.4846 4.4846 4.5532 4.5532 4.9475 4.9475 5.3058 5.3058 5.8168 5.8168 6.0122 6.0122 9.6195 9.6195 9.7314 9.7314 9.7788 9.7788 11.4906 11.4906 11.6522 11.6522 k = 0.3238 0.5609 0.5850 ( 5222 PWs) bands (ev): -19.9822 -19.9822 -6.5882 -6.5882 -6.5674 -6.5674 -4.6881 -4.6881 -3.8430 -3.8430 -3.8122 -3.8122 0.8051 0.8051 0.9951 0.9951 1.2843 1.2843 1.7724 1.7724 2.0442 2.0442 2.0946 2.0946 2.5355 2.5355 2.6334 2.6334 3.2813 3.2813 3.3437 3.3437 3.3720 3.3720 3.5925 3.5925 4.0468 4.0468 4.0880 4.0880 4.1273 4.1273 4.4804 4.4804 4.5560 4.5560 4.9477 4.9477 5.3065 5.3065 5.8172 5.8172 6.0131 6.0131 9.6119 9.6119 9.7123 9.7123 9.8019 9.8019 11.4740 11.4740 11.6327 11.6327 k = 0.3143 0.5444 0.5850 ( 5238 PWs) bands (ev): -19.9822 -19.9822 -6.5989 -6.5989 -6.5568 -6.5568 -4.6881 -4.6881 -3.8432 -3.8432 -3.8118 -3.8118 0.8003 0.8003 0.9939 0.9939 1.2842 1.2842 1.7727 1.7727 2.0465 2.0465 2.1009 2.1009 2.5329 2.5329 2.6336 2.6336 3.2754 3.2754 3.3392 3.3392 3.3833 3.3833 3.5933 3.5933 4.0440 4.0440 4.0841 4.0841 4.1365 4.1365 4.4694 4.4694 4.5634 4.5634 4.9480 4.9480 5.3083 5.3083 5.8184 5.8184 6.0157 6.0157 9.5948 9.5948 9.6763 9.6763 9.8446 9.8446 11.4339 11.4339 11.5977 11.5977 k = 0.3048 0.5279 0.5850 ( 5238 PWs) bands (ev): -19.9822 -19.9822 -6.6100 -6.6100 -6.5458 -6.5458 -4.6881 -4.6881 -3.8436 -3.8436 -3.8112 -3.8112 0.7930 0.7930 0.9906 0.9906 1.2840 1.2840 1.7733 1.7733 2.0518 2.0518 2.1102 2.1102 2.5288 2.5288 2.6338 2.6338 3.2662 3.2662 3.3382 3.3382 3.3939 3.3939 3.5954 3.5954 4.0401 4.0401 4.0796 4.0796 4.1489 4.1489 4.4546 4.4546 4.5730 4.5730 4.9483 4.9483 5.3104 5.3104 5.8209 5.8209 6.0198 6.0198 9.5729 9.5729 9.6354 9.6354 9.8915 9.8915 11.3803 11.3803 11.5610 11.5610 k = 0.2952 0.5114 0.5850 ( 5246 PWs) bands (ev): -19.9822 -19.9822 -6.6215 -6.6215 -6.5344 -6.5344 -4.6881 -4.6881 -3.8441 -3.8441 -3.8105 -3.8105 0.7838 0.7838 0.9848 0.9848 1.2836 1.2836 1.7748 1.7748 2.0606 2.0606 2.1218 2.1218 2.5235 2.5235 2.6339 2.6339 3.2553 3.2553 3.3396 3.3396 3.4022 3.4022 3.5999 3.5999 4.0359 4.0359 4.0756 4.0756 4.1630 4.1630 4.4383 4.4383 4.5835 4.5835 4.9481 4.9481 5.3121 5.3121 5.8252 5.8252 6.0256 6.0256 9.5477 9.5477 9.5920 9.5920 9.9391 9.9391 11.3185 11.3185 11.5231 11.5231 k = 0.2857 0.4949 0.5850 ( 5254 PWs) bands (ev): -19.9822 -19.9822 -6.6334 -6.6334 -6.5226 -6.5226 -4.6881 -4.6881 -3.8447 -3.8447 -3.8097 -3.8097 0.7732 0.7732 0.9764 0.9764 1.2824 1.2824 1.7775 1.7775 2.0727 2.0727 2.1356 2.1356 2.5172 2.5172 2.6338 2.6338 3.2439 3.2439 3.3417 3.3417 3.4073 3.4073 3.6079 3.6079 4.0316 4.0316 4.0721 4.0721 4.1782 4.1782 4.4219 4.4219 4.5940 4.5940 4.9472 4.9472 5.3122 5.3122 5.8320 5.8320 6.0330 6.0330 9.5197 9.5197 9.5480 9.5480 9.9867 9.9867 11.2516 11.2516 11.4835 11.4835 k = 0.2762 0.4784 0.5850 ( 5256 PWs) bands (ev): -19.9823 -19.9823 -6.6455 -6.6455 -6.5106 -6.5106 -4.6881 -4.6881 -3.8452 -3.8452 -3.8089 -3.8089 0.7614 0.7614 0.9654 0.9654 1.2797 1.2797 1.7819 1.7819 2.0875 2.0875 2.1517 2.1517 2.5099 2.5099 2.6337 2.6337 3.2328 3.2328 3.3432 3.3432 3.4092 3.4092 3.6199 3.6199 4.0274 4.0274 4.0691 4.0691 4.1941 4.1941 4.4066 4.4066 4.6042 4.6042 4.9454 4.9454 5.3096 5.3096 5.8419 5.8419 6.0422 6.0422 9.4864 9.4864 9.5077 9.5077 10.0335 10.0335 11.1812 11.1812 11.4421 11.4421 k = 0.2667 0.4619 0.5850 ( 5264 PWs) bands (ev): -19.9823 -19.9823 -6.6579 -6.6579 -6.4983 -6.4983 -4.6881 -4.6881 -3.8457 -3.8457 -3.8081 -3.8081 0.7487 0.7487 0.9523 0.9523 1.2751 1.2751 1.7885 1.7885 2.1039 2.1039 2.1707 2.1707 2.5020 2.5020 2.6337 2.6337 3.2224 3.2224 3.3428 3.3428 3.4091 3.4091 3.6358 3.6358 4.0237 4.0237 4.0663 4.0663 4.2105 4.2105 4.3930 4.3930 4.6139 4.6139 4.9427 4.9427 5.3032 5.3032 5.8555 5.8555 6.0534 6.0534 9.4452 9.4452 9.4748 9.4748 10.0794 10.0794 11.1085 11.1085 11.3993 11.3993 k = 0.2571 0.4454 0.5850 ( 5272 PWs) bands (ev): -19.9823 -19.9823 -6.6706 -6.6706 -6.4857 -6.4857 -4.6881 -4.6881 -3.8462 -3.8462 -3.8075 -3.8075 0.7354 0.7354 0.9376 0.9376 1.2681 1.2681 1.7976 1.7976 2.1204 2.1204 2.1932 2.1932 2.4935 2.4935 2.6339 2.6339 3.2127 3.2127 3.3388 3.3388 3.4089 3.4089 3.6548 3.6548 4.0205 4.0205 4.0636 4.0636 4.2269 4.2269 4.3818 4.3818 4.6230 4.6230 4.9390 4.9390 5.2921 5.2921 5.8734 5.8734 6.0665 6.0665 9.4011 9.4011 9.4457 9.4457 10.1239 10.1239 11.0343 11.0343 11.3555 11.3555 k = 0.2476 0.4289 0.5850 ( 5264 PWs) bands (ev): -19.9823 -19.9823 -6.6834 -6.6834 -6.4730 -6.4730 -4.6882 -4.6882 -3.8466 -3.8466 -3.8069 -3.8069 0.7215 0.7215 0.9218 0.9218 1.2587 1.2587 1.8092 1.8092 2.1360 2.1360 2.2197 2.2197 2.4848 2.4848 2.6342 2.6342 3.2039 3.2039 3.3306 3.3306 3.4105 3.4105 3.6759 3.6759 4.0177 4.0177 4.0608 4.0608 4.2432 4.2432 4.3733 4.3733 4.6315 4.6315 4.9345 4.9345 5.2758 5.2758 5.8957 5.8957 6.0818 6.0818 9.3576 9.3576 9.4180 9.4180 10.1665 10.1665 10.9591 10.9591 11.3114 11.3114 k = 0.2381 0.4124 0.5850 ( 5268 PWs) bands (ev): -19.9823 -19.9823 -6.6963 -6.6963 -6.4601 -6.4601 -4.6883 -4.6883 -3.8470 -3.8470 -3.8066 -3.8066 0.7073 0.7073 0.9053 0.9053 1.2468 1.2468 1.8233 1.8233 2.1500 2.1500 2.2496 2.2496 2.4761 2.4761 2.6349 2.6349 3.1957 3.1957 3.3189 3.3189 3.4141 3.4141 3.6980 3.6980 4.0153 4.0153 4.0580 4.0580 4.2585 4.2585 4.3681 4.3681 4.6394 4.6394 4.9293 4.9293 5.2541 5.2541 5.9224 5.9224 6.0994 6.0994 9.3162 9.3162 9.3913 9.3913 10.2069 10.2069 10.8835 10.8835 11.2677 11.2677 k = 0.2286 0.3959 0.5850 ( 5260 PWs) bands (ev): -19.9823 -19.9823 -6.7093 -6.7093 -6.4470 -6.4470 -4.6885 -4.6885 -3.8472 -3.8472 -3.8064 -3.8064 0.6927 0.6927 0.8885 0.8885 1.2328 1.2328 1.8396 1.8396 2.1627 2.1627 2.2821 2.2821 2.4680 2.4680 2.6360 2.6360 3.1883 3.1883 3.3051 3.3051 3.4196 3.4196 3.7200 3.7200 4.0132 4.0132 4.0555 4.0555 4.2722 4.2722 4.3664 4.3664 4.6466 4.6466 4.9239 4.9239 5.2273 5.2273 5.9531 5.9531 6.1194 6.1194 9.2776 9.2776 9.3654 9.3654 10.2442 10.2442 10.8079 10.8079 11.2250 11.2250 k = 0.2190 0.3794 0.5850 ( 5250 PWs) bands (ev): -19.9823 -19.9823 -6.7223 -6.7223 -6.4339 -6.4339 -4.6887 -4.6887 -3.8474 -3.8474 -3.8064 -3.8064 0.6778 0.6778 0.8719 0.8719 1.2170 1.2170 1.8578 1.8578 2.1741 2.1741 2.3153 2.3153 2.4617 2.4617 2.6375 2.6375 3.1811 3.1811 3.2907 3.2907 3.4263 3.4263 3.7412 3.7412 4.0114 4.0114 4.0533 4.0533 4.2832 4.2832 4.3687 4.3687 4.6531 4.6531 4.9186 4.9186 5.1957 5.1957 5.9871 5.9871 6.1421 6.1421 9.2424 9.2424 9.3405 9.3405 10.2775 10.2775 10.7329 10.7329 11.1843 11.1843 k = 0.2095 0.3629 0.5850 ( 5250 PWs) bands (ev): -19.9823 -19.9823 -6.7353 -6.7353 -6.4207 -6.4207 -4.6890 -4.6890 -3.8475 -3.8475 -3.8067 -3.8067 0.6628 0.6628 0.8555 0.8555 1.1999 1.1999 1.8774 1.8774 2.1844 2.1844 2.3459 2.3459 2.4595 2.4595 2.6395 2.6395 3.1740 3.1740 3.2771 3.2771 3.4338 3.4338 3.7606 3.7606 4.0097 4.0097 4.0520 4.0520 4.2907 4.2907 4.3747 4.3747 4.6591 4.6591 4.9139 4.9139 5.1601 5.1601 6.0239 6.0239 6.1678 6.1678 9.2111 9.2111 9.3165 9.3165 10.3057 10.3057 10.6592 10.6592 11.1459 11.1459 k = 0.2000 0.3464 0.5850 ( 5250 PWs) bands (ev): -19.9823 -19.9823 -6.7481 -6.7481 -6.4075 -6.4075 -4.6894 -4.6894 -3.8475 -3.8475 -3.8073 -3.8073 0.6476 0.6476 0.8398 0.8398 1.1819 1.1819 1.8982 1.8982 2.1940 2.1940 2.3684 2.3684 2.4665 2.4665 2.6424 2.6424 3.1665 3.1665 3.2656 3.2656 3.4419 3.4419 3.7777 3.7777 4.0080 4.0080 4.0518 4.0518 4.2946 4.2946 4.3835 4.3835 4.6643 4.6643 4.9101 4.9101 5.1213 5.1213 6.0626 6.0626 6.1968 6.1968 9.1838 9.1838 9.2935 9.2935 10.3270 10.3270 10.5876 10.5876 11.1100 11.1100 k = 0.1905 0.3299 0.5850 ( 5238 PWs) bands (ev): -19.9824 -19.9824 -6.7608 -6.7608 -6.3944 -6.3944 -4.6898 -4.6898 -3.8474 -3.8474 -3.8080 -3.8080 0.6324 0.6324 0.8247 0.8247 1.1635 1.1635 1.9196 1.9196 2.2029 2.2029 2.3779 2.3779 2.4863 2.4863 2.6467 2.6467 3.1582 3.1582 3.2571 3.2571 3.4505 3.4505 3.7919 3.7919 4.0062 4.0062 4.0528 4.0528 4.2955 4.2955 4.3935 4.3935 4.6686 4.6686 4.9077 4.9077 5.0806 5.0806 6.1025 6.1025 6.2295 6.2295 9.1605 9.1605 9.2716 9.2716 10.3391 10.3391 10.5201 10.5201 11.0749 11.0749 k = 0.1810 0.3134 0.5850 ( 5234 PWs) bands (ev): -19.9824 -19.9824 -6.7734 -6.7734 -6.3813 -6.3813 -4.6903 -4.6903 -3.8473 -3.8473 -3.8091 -3.8091 0.6171 0.6171 0.8105 0.8105 1.1449 1.1449 1.9413 1.9413 2.2114 2.2114 2.3772 2.3772 2.5144 2.5144 2.6537 2.6537 3.1492 3.1492 3.2520 3.2520 3.4595 3.4595 3.8031 3.8031 4.0044 4.0044 4.0552 4.0552 4.2939 4.2939 4.4030 4.4030 4.6717 4.6717 4.9062 4.9062 5.0400 5.0400 6.1431 6.1431 6.2661 6.2661 9.1408 9.1408 9.2508 9.2508 10.3368 10.3368 10.4610 10.4610 11.0338 11.0338 k = 0.1714 0.2969 0.5850 ( 5234 PWs) bands (ev): -19.9824 -19.9824 -6.7856 -6.7856 -6.3684 -6.3684 -4.6909 -4.6909 -3.8471 -3.8471 -3.8103 -3.8103 0.6018 0.6018 0.7972 0.7972 1.1266 1.1266 1.9629 1.9629 2.2196 2.2196 2.3718 2.3718 2.5428 2.5428 2.6658 2.6658 3.1398 3.1398 3.2504 3.2504 3.4689 3.4689 3.8112 3.8112 4.0023 4.0023 4.0585 4.0585 4.2900 4.2900 4.4107 4.4107 4.6731 4.6731 4.9029 4.9029 5.0040 5.0040 6.1841 6.1841 6.3065 6.3065 9.1241 9.1241 9.2315 9.2315 10.3114 10.3114 10.4191 10.4191 10.9716 10.9716 k = 0.1619 0.2804 0.5850 ( 5230 PWs) bands (ev): -19.9824 -19.9824 -6.7976 -6.7976 -6.3558 -6.3558 -4.6915 -4.6915 -3.8469 -3.8469 -3.8118 -3.8118 0.5866 0.5866 0.7849 0.7849 1.1087 1.1087 1.9841 1.9841 2.2276 2.2276 2.3646 2.3646 2.5655 2.5655 2.6859 2.6859 3.1305 3.1305 3.2517 3.2517 3.4786 3.4786 3.8165 3.8165 4.0001 4.0001 4.0626 4.0626 4.2840 4.2840 4.4156 4.4156 4.6724 4.6724 4.8893 4.8893 4.9825 4.9825 6.2256 6.2256 6.3505 6.3505 9.1091 9.1091 9.2143 9.2143 10.2636 10.2636 10.3942 10.3942 10.8807 10.8807 k = 0.1524 0.2639 0.5850 ( 5234 PWs) bands (ev): -19.9824 -19.9824 -6.8091 -6.8091 -6.3434 -6.3434 -4.6923 -4.6923 -3.8466 -3.8466 -3.8135 -3.8135 0.5716 0.5716 0.7735 0.7735 1.0916 1.0916 2.0045 2.0045 2.2357 2.2357 2.3568 2.3568 2.5797 2.5797 2.7152 2.7152 3.1220 3.1220 3.2555 3.2555 3.4887 3.4887 3.8191 3.8191 3.9976 3.9976 4.0670 4.0670 4.2758 4.2758 4.4170 4.4170 4.6694 4.6694 4.8599 4.8599 4.9821 4.9821 6.2679 6.2679 6.3974 6.3974 9.0940 9.0940 9.2001 9.2001 10.2061 10.2061 10.3745 10.3745 10.7745 10.7745 k = 0.1429 0.2474 0.5850 ( 5228 PWs) bands (ev): -19.9824 -19.9824 -6.8203 -6.8203 -6.3313 -6.3313 -4.6931 -4.6931 -3.8463 -3.8463 -3.8153 -3.8153 0.5568 0.5568 0.7631 0.7631 1.0754 1.0754 2.0237 2.0237 2.2438 2.2438 2.3492 2.3492 2.5872 2.5872 2.7514 2.7514 3.1148 3.1148 3.2612 3.2612 3.4992 3.4992 3.8196 3.8196 3.9947 3.9947 4.0712 4.0712 4.2655 4.2655 4.4142 4.4142 4.6641 4.6641 4.8226 4.8226 4.9959 4.9959 6.3114 6.3114 6.4466 6.4466 9.0770 9.0770 9.1896 9.1896 10.1466 10.1466 10.3540 10.3540 10.6653 10.6653 k = 0.1333 0.2309 0.5850 ( 5224 PWs) bands (ev): -19.9825 -19.9825 -6.8310 -6.8310 -6.3196 -6.3196 -4.6940 -4.6940 -3.8459 -3.8459 -3.8173 -3.8173 0.5424 0.5424 0.7537 0.7537 1.0602 1.0602 2.0414 2.0414 2.2519 2.2519 2.3425 2.3425 2.5905 2.5905 2.7913 2.7913 3.1094 3.1094 3.2684 3.2684 3.5102 3.5102 3.8181 3.8181 3.9912 3.9912 4.0749 4.0749 4.2532 4.2532 4.4065 4.4065 4.6571 4.6571 4.7846 4.7846 5.0171 5.0171 6.3564 6.3564 6.4974 6.4974 9.0566 9.0566 9.1829 9.1829 10.0878 10.0878 10.3312 10.3312 10.5594 10.5594 k = 0.1238 0.2144 0.5850 ( 5224 PWs) bands (ev): -19.9825 -19.9825 -6.8411 -6.8411 -6.3083 -6.3083 -4.6949 -4.6949 -3.8456 -3.8456 -3.8194 -3.8194 0.5284 0.5284 0.7450 0.7450 1.0463 1.0463 2.0573 2.0573 2.2595 2.2595 2.3373 2.3373 2.5914 2.5914 2.8328 2.8328 3.1060 3.1060 3.2766 3.2766 3.5218 3.5218 3.8151 3.8151 3.9870 3.9870 4.0778 4.0778 4.2391 4.2391 4.3932 4.3932 4.6489 4.6489 4.7495 4.7495 5.0424 5.0424 6.4033 6.4033 6.5490 6.5490 9.0323 9.0323 9.1789 9.1789 10.0308 10.0308 10.3063 10.3063 10.4609 10.4609 k = 0.1143 0.1979 0.5850 ( 5224 PWs) bands (ev): -19.9825 -19.9825 -6.8507 -6.8507 -6.2976 -6.2976 -4.6958 -4.6958 -3.8452 -3.8452 -3.8215 -3.8215 0.5150 0.5150 0.7372 0.7372 1.0336 1.0336 2.0712 2.0712 2.2660 2.2660 2.3342 2.3342 2.5910 2.5910 2.8746 2.8746 3.1049 3.1049 3.2854 3.2854 3.5340 3.5340 3.8106 3.8106 3.9819 3.9819 4.0798 4.0798 4.2234 4.2234 4.3738 4.3738 4.6403 4.6403 4.7192 4.7192 5.0698 5.0698 6.4522 6.4522 6.6009 6.6009 9.0045 9.0045 9.1755 9.1755 9.9761 9.9761 10.2786 10.2786 10.3741 10.3741 k = 0.1048 0.1815 0.5850 ( 5222 PWs) bands (ev): -19.9825 -19.9825 -6.8598 -6.8598 -6.2874 -6.2874 -4.6968 -4.6968 -3.8449 -3.8449 -3.8237 -3.8237 0.5022 0.5022 0.7301 0.7301 1.0221 1.0221 2.0830 2.0830 2.2706 2.2706 2.3343 2.3343 2.5900 2.5900 2.9157 2.9157 3.1065 3.1065 3.2945 3.2945 3.5469 3.5469 3.8047 3.8047 3.9758 3.9758 4.0810 4.0810 4.2065 4.2065 4.3484 4.3484 4.6320 4.6320 4.6943 4.6943 5.0981 5.0981 6.5028 6.5028 6.6525 6.6525 8.9734 8.9734 9.1704 9.1704 9.9242 9.9242 10.2434 10.2434 10.3066 10.3066 k = 0.0952 0.1650 0.5850 ( 5222 PWs) bands (ev): -19.9825 -19.9825 -6.8681 -6.8681 -6.2779 -6.2779 -4.6978 -4.6978 -3.8446 -3.8446 -3.8259 -3.8259 0.4902 0.4902 0.7238 0.7238 1.0120 1.0120 2.0929 2.0929 2.2726 2.2726 2.3378 2.3378 2.5886 2.5886 2.9553 2.9553 3.1110 3.1110 3.3034 3.3034 3.5605 3.5605 3.7976 3.7976 3.9685 3.9685 4.0814 4.0814 4.1887 4.1887 4.3177 4.3177 4.6246 4.6246 4.6748 4.6748 5.1262 5.1262 6.5549 6.5549 6.7033 6.7033 8.9396 8.9396 9.1614 9.1614 9.8755 9.8755 10.1964 10.1964 10.2656 10.2656 k = 0.0857 0.1485 0.5850 ( 5238 PWs) bands (ev): -19.9825 -19.9825 -6.8758 -6.8758 -6.2690 -6.2690 -4.6988 -4.6988 -3.8442 -3.8442 -3.8280 -3.8280 0.4790 0.4790 0.7180 0.7180 1.0031 1.0031 2.1009 2.1009 2.2723 2.2723 2.3441 2.3441 2.5872 2.5872 2.9924 2.9924 3.1190 3.1190 3.3119 3.3119 3.5747 3.5747 3.7892 3.7892 3.9601 3.9601 4.0811 4.0811 4.1704 4.1704 4.2833 4.2833 4.6183 4.6183 4.6598 4.6598 5.1534 5.1534 6.6080 6.6080 6.7525 6.7525 8.9035 8.9035 9.1467 9.1467 9.8308 9.8308 10.1499 10.1499 10.2405 10.2405 k = 0.0762 0.1320 0.5850 ( 5242 PWs) bands (ev): -19.9826 -19.9826 -6.8828 -6.8828 -6.2609 -6.2609 -4.6997 -4.6997 -3.8440 -3.8440 -3.8299 -3.8299 0.4687 0.4687 0.7130 0.7130 0.9954 0.9954 2.1073 2.1073 2.2706 2.2706 2.3522 2.3522 2.5859 2.5859 3.0259 3.0259 3.1312 3.1312 3.3197 3.3197 3.5894 3.5894 3.7795 3.7795 3.9508 3.9508 4.0805 4.0805 4.1521 4.1521 4.2469 4.2469 4.6132 4.6132 4.6487 4.6487 5.1789 5.1789 6.6612 6.6612 6.7998 6.7998 8.8657 8.8657 9.1259 9.1259 9.7905 9.7905 10.1135 10.1135 10.2222 10.2222 k = 0.0667 0.1155 0.5850 ( 5258 PWs) bands (ev): -19.9826 -19.9826 -6.8890 -6.8890 -6.2536 -6.2536 -4.7006 -4.7006 -3.8437 -3.8437 -3.8318 -3.8318 0.4594 0.4594 0.7085 0.7085 0.9889 0.9889 2.1123 2.1123 2.2683 2.2683 2.3607 2.3607 2.5848 2.5848 3.0544 3.0544 3.1481 3.1481 3.3264 3.3264 3.6041 3.6041 3.7688 3.7688 3.9408 3.9408 4.0797 4.0797 4.1339 4.1339 4.2104 4.2104 4.6089 4.6089 4.6406 4.6406 5.2023 5.2023 6.7134 6.7134 6.8444 6.8444 8.8267 8.8267 9.0995 9.0995 9.7552 9.7552 10.0886 10.0886 10.2084 10.2084 k = 0.0571 0.0990 0.5850 ( 5262 PWs) bands (ev): -19.9826 -19.9826 -6.8945 -6.8945 -6.2472 -6.2472 -4.7014 -4.7014 -3.8436 -3.8436 -3.8334 -3.8334 0.4512 0.4512 0.7046 0.7046 0.9835 0.9835 2.1161 2.1161 2.2658 2.2658 2.3690 2.3690 2.5841 2.5841 3.0773 3.0773 3.1697 3.1697 3.3320 3.3320 3.6183 3.6183 3.7578 3.7578 3.9306 3.9306 4.0788 4.0788 4.1161 4.1161 4.1757 4.1757 4.6051 4.6051 4.6352 4.6352 5.2232 5.2232 6.7634 6.7634 6.8858 6.8858 8.7876 8.7876 9.0696 9.0696 9.7248 9.7248 10.0737 10.0737 10.1986 10.1986 k = 0.0476 0.0825 0.5850 ( 5264 PWs) bands (ev): -19.9826 -19.9826 -6.8991 -6.8991 -6.2417 -6.2417 -4.7021 -4.7021 -3.8435 -3.8435 -3.8348 -3.8348 0.4441 0.4441 0.7013 0.7013 0.9791 0.9791 2.1189 2.1189 2.2635 2.2635 2.3765 2.3765 2.5836 2.5836 3.0953 3.0953 3.1943 3.1943 3.3359 3.3359 3.6307 3.6307 3.7478 3.7478 3.9203 3.9203 4.0778 4.0778 4.0983 4.0983 4.1449 4.1449 4.6018 4.6018 4.6318 4.6318 5.2412 5.2412 6.8095 6.8095 6.9234 6.9234 8.7496 8.7496 9.0387 9.0387 9.6993 9.6993 10.0664 10.0664 10.1926 10.1926 k = 0.0381 0.0660 0.5850 ( 5268 PWs) bands (ev): -19.9826 -19.9826 -6.9030 -6.9030 -6.2371 -6.2371 -4.7028 -4.7028 -3.8434 -3.8434 -3.8360 -3.8360 0.4383 0.4383 0.6986 0.6986 0.9756 0.9756 2.1209 2.1209 2.2615 2.2615 2.3829 2.3829 2.5834 2.5834 3.1094 3.1094 3.2198 3.2198 3.3381 3.3381 3.6397 3.6397 3.7408 3.7408 3.9103 3.9103 4.0766 4.0766 4.0801 4.0801 4.1204 4.1204 4.5990 4.5990 4.6298 4.6298 5.2563 5.2563 6.8501 6.8501 6.9563 6.9563 8.7142 8.7142 9.0096 9.0096 9.6785 9.6785 10.0637 10.0637 10.1900 10.1900 k = 0.0286 0.0495 0.5850 ( 5266 PWs) bands (ev): -19.9826 -19.9826 -6.9060 -6.9060 -6.2335 -6.2335 -4.7033 -4.7033 -3.8434 -3.8434 -3.8368 -3.8368 0.4337 0.4337 0.6965 0.6965 0.9730 0.9730 2.1223 2.1223 2.2599 2.2599 2.3879 2.3879 2.5833 2.5833 3.1203 3.1203 3.2440 3.2440 3.3381 3.3381 3.6437 3.6437 3.7387 3.7387 3.9010 3.9010 4.0611 4.0611 4.0765 4.0765 4.1033 4.1033 4.5967 4.5967 4.6287 4.6287 5.2681 5.2681 6.8834 6.8834 6.9837 6.9837 8.6835 8.6835 8.9847 8.9847 9.6624 9.6624 10.0635 10.0635 10.1901 10.1901 k = 0.0190 0.0330 0.5850 ( 5266 PWs) bands (ev): -19.9826 -19.9826 -6.9081 -6.9081 -6.2309 -6.2309 -4.7036 -4.7036 -3.8435 -3.8435 -3.8374 -3.8374 0.4304 0.4304 0.6949 0.6949 0.9712 0.9712 2.1232 2.1232 2.2588 2.2588 2.3915 2.3915 2.5833 2.5833 3.1283 3.1283 3.2650 3.2650 3.3361 3.3361 3.6433 3.6433 3.7412 3.7412 3.8928 3.8928 4.0453 4.0453 4.0757 4.0757 4.0926 4.0926 4.5951 4.5951 4.6281 4.6281 5.2766 5.2766 6.9082 6.9082 7.0046 7.0046 8.6595 8.6595 8.9657 8.9657 9.6509 9.6509 10.0640 10.0640 10.1917 10.1917 k = 0.0095 0.0165 0.5850 ( 5260 PWs) bands (ev): -19.9826 -19.9826 -6.9094 -6.9094 -6.2293 -6.2293 -4.7039 -4.7039 -3.8435 -3.8435 -3.8378 -3.8378 0.4284 0.4284 0.6940 0.6940 0.9701 0.9701 2.1238 2.1238 2.2581 2.2581 2.3937 2.3937 2.5833 2.5833 3.1333 3.1333 3.2805 3.2805 3.3327 3.3327 3.6412 3.6412 3.7450 3.7450 3.8869 3.8869 4.0348 4.0348 4.0750 4.0750 4.0868 4.0868 4.5941 4.5941 4.6279 4.6279 5.2817 5.2817 6.9234 6.9234 7.0178 7.0178 8.6442 8.6442 8.9539 8.9539 9.6439 9.6439 10.0645 10.0645 10.1934 10.1934 k = 0.0000 0.0000 0.5850 ( 5276 PWs) bands (ev): -19.9826 -19.9826 -6.9098 -6.9098 -6.2288 -6.2288 -4.7039 -4.7039 -3.8435 -3.8435 -3.8379 -3.8379 0.4277 0.4277 0.6937 0.6937 0.9697 0.9697 2.1239 2.1239 2.2578 2.2578 2.3944 2.3944 2.5834 2.5834 3.1349 3.1349 3.2867 3.2867 3.3307 3.3307 3.6402 3.6402 3.7467 3.7467 3.8846 3.8846 4.0311 4.0311 4.0747 4.0747 4.0851 4.0851 4.5938 4.5938 4.6278 4.6278 5.2834 5.2834 6.9285 6.9285 7.0223 7.0223 8.6390 8.6390 8.9499 8.9499 9.6416 9.6416 10.0647 10.0647 10.1940 10.1940 k = 0.5000 0.2887 0.5850 ( 5244 PWs) bands (ev): -19.9823 -19.9823 -6.6713 -6.6713 -6.4872 -6.4872 -4.6873 -4.6873 -3.8533 -3.8533 -3.7954 -3.7954 0.6175 0.6175 1.1163 1.1163 1.1793 1.1793 1.7436 1.7436 2.2051 2.2051 2.2925 2.2925 2.3734 2.3734 2.6526 2.6526 3.2051 3.2051 3.2708 3.2708 3.4564 3.4564 3.8789 3.8789 3.8908 3.8908 4.0758 4.0758 4.2193 4.2193 4.2436 4.2436 4.6377 4.6377 4.9244 4.9244 5.3596 5.3596 5.7377 5.7377 6.3586 6.3586 8.8712 8.8712 9.7622 9.7622 9.9590 9.9590 10.6414 10.6414 12.2016 12.2016 k = 0.5000 0.2887 0.5661 ( 5240 PWs) bands (ev): -19.9823 -19.9823 -6.6718 -6.6718 -6.4868 -6.4868 -4.6873 -4.6873 -3.8533 -3.8533 -3.7954 -3.7954 0.6180 0.6180 1.1170 1.1170 1.1789 1.1789 1.7435 1.7435 2.2051 2.2051 2.2924 2.2924 2.3734 2.3734 2.6526 2.6526 3.2048 3.2048 3.2710 3.2710 3.4565 3.4565 3.8771 3.8771 3.8923 3.8923 4.0757 4.0757 4.2188 4.2188 4.2444 4.2444 4.6375 4.6375 4.9259 4.9259 5.3577 5.3577 5.7393 5.7393 6.3582 6.3582 8.8714 8.8714 9.7624 9.7624 9.9611 9.9611 10.6340 10.6340 12.2026 12.2026 k = 0.5000 0.2887 0.5473 ( 5236 PWs) bands (ev): -19.9823 -19.9823 -6.6735 -6.6735 -6.4856 -6.4856 -4.6872 -4.6872 -3.8531 -3.8531 -3.7954 -3.7954 0.6195 0.6195 1.1188 1.1188 1.1778 1.1778 1.7433 1.7433 2.2051 2.2051 2.2921 2.2921 2.3736 2.3736 2.6523 2.6523 3.2040 3.2040 3.2718 3.2718 3.4571 3.4571 3.8732 3.8732 3.8953 3.8953 4.0755 4.0755 4.2175 4.2175 4.2467 4.2467 4.6369 4.6369 4.9307 4.9307 5.3525 5.3525 5.7436 5.7436 6.3571 6.3571 8.8721 8.8721 9.7630 9.7630 9.9674 9.9674 10.6121 10.6121 12.2050 12.2050 k = 0.5000 0.2887 0.5284 ( 5240 PWs) bands (ev): -19.9823 -19.9823 -6.6762 -6.6762 -6.4836 -6.4836 -4.6871 -4.6871 -3.8529 -3.8529 -3.7955 -3.7955 0.6219 0.6219 1.1220 1.1220 1.1760 1.1760 1.7429 1.7429 2.2050 2.2050 2.2916 2.2916 2.3738 2.3738 2.6519 2.6519 3.2027 3.2027 3.2730 3.2730 3.4580 3.4580 3.8684 3.8684 3.8985 3.8985 4.0752 4.0752 4.2158 4.2158 4.2500 4.2500 4.6358 4.6358 4.9384 4.9384 5.3444 5.3444 5.7503 5.7503 6.3552 6.3552 8.8733 8.8733 9.7640 9.7640 9.9776 9.9776 10.5769 10.5769 12.2067 12.2067 k = 0.5000 0.2887 0.5095 ( 5240 PWs) bands (ev): -19.9823 -19.9823 -6.6799 -6.6799 -6.4810 -6.4810 -4.6870 -4.6870 -3.8525 -3.8525 -3.7955 -3.7955 0.6252 0.6252 1.1263 1.1263 1.1736 1.1736 1.7423 1.7423 2.2050 2.2050 2.2910 2.2910 2.3740 2.3740 2.6513 2.6513 3.2010 3.2010 3.2746 3.2746 3.4592 3.4592 3.8632 3.8632 3.9016 3.9016 4.0748 4.0748 4.2140 4.2140 4.2542 4.2542 4.6345 4.6345 4.9490 4.9490 5.3344 5.3344 5.7584 5.7584 6.3526 6.3526 8.8754 8.8754 9.7655 9.7655 9.9910 9.9910 10.5302 10.5302 12.2034 12.2034 k = 0.5000 0.2887 0.4906 ( 5242 PWs) bands (ev): -19.9823 -19.9823 -6.6845 -6.6845 -6.4778 -6.4778 -4.6869 -4.6869 -3.8521 -3.8521 -3.7955 -3.7955 0.6294 0.6294 1.1318 1.1318 1.1706 1.1706 1.7416 1.7416 2.2048 2.2048 2.2903 2.2903 2.3741 2.3741 2.6505 2.6505 3.1991 3.1991 3.2764 3.2764 3.4607 3.4607 3.8577 3.8577 3.9042 3.9042 4.0743 4.0743 4.2122 4.2122 4.2589 4.2589 4.6329 4.6329 4.9622 4.9622 5.3234 5.3234 5.7673 5.7673 6.3491 6.3491 8.8783 8.8783 9.7675 9.7675 10.0068 10.0068 10.4740 10.4740 12.1853 12.1853 k = 0.5000 0.2887 0.4718 ( 5234 PWs) bands (ev): -19.9823 -19.9823 -6.6897 -6.6897 -6.4742 -6.4742 -4.6867 -4.6867 -3.8516 -3.8516 -3.7955 -3.7955 0.6345 0.6345 1.1382 1.1382 1.1674 1.1674 1.7408 1.7408 2.2045 2.2045 2.2897 2.2897 2.3741 2.3741 2.6495 2.6495 3.1970 3.1970 3.2783 3.2783 3.4624 3.4624 3.8520 3.8520 3.9063 3.9063 4.0738 4.0738 4.2107 4.2107 4.2643 4.2643 4.6311 4.6311 4.9778 4.9778 5.3126 5.3126 5.7760 5.7760 6.3448 6.3448 8.8824 8.8824 9.7703 9.7703 10.0239 10.0239 10.4109 10.4109 12.1459 12.1459 k = 0.5000 0.2887 0.4529 ( 5234 PWs) bands (ev): -19.9824 -19.9824 -6.6956 -6.6956 -6.4702 -6.4702 -4.6864 -4.6864 -3.8510 -3.8510 -3.7956 -3.7956 0.6403 0.6403 1.1449 1.1449 1.1646 1.1646 1.7397 1.7397 2.2039 2.2039 2.2892 2.2892 2.3740 2.3740 2.6482 2.6482 3.1949 3.1949 3.2802 3.2802 3.4645 3.4645 3.8461 3.8461 3.9078 3.9078 4.0732 4.0732 4.2094 4.2094 4.2700 4.2700 4.6291 4.6291 4.9952 4.9952 5.3027 5.3027 5.7841 5.7841 6.3397 6.3397 8.8875 8.8875 9.7738 9.7738 10.0401 10.0401 10.3437 10.3437 12.0953 12.0953 k = 0.5000 0.2887 0.4340 ( 5248 PWs) bands (ev): -19.9824 -19.9824 -6.7020 -6.7020 -6.4660 -6.4660 -4.6862 -4.6862 -3.8503 -3.8503 -3.7956 -3.7956 0.6468 0.6468 1.1492 1.1492 1.1650 1.1650 1.7386 1.7386 2.2032 2.2032 2.2889 2.2889 2.3735 2.3735 2.6468 2.6468 3.1929 3.1929 3.2821 3.2821 3.4667 3.4667 3.8400 3.8400 3.9087 3.9087 4.0727 4.0727 4.2084 4.2084 4.2762 4.2762 4.6271 4.6271 5.0143 5.0143 5.2945 5.2945 5.7911 5.7911 6.3337 6.3337 8.8938 8.8938 9.7784 9.7784 10.0518 10.0518 10.2768 10.2768 12.0414 12.0414 k = 0.5000 0.2887 0.4152 ( 5252 PWs) bands (ev): -19.9824 -19.9824 -6.7087 -6.7087 -6.4617 -6.4617 -4.6859 -4.6859 -3.8496 -3.8496 -3.7956 -3.7956 0.6539 0.6539 1.1480 1.1480 1.1716 1.1716 1.7373 1.7373 2.2021 2.2021 2.2888 2.2888 2.3727 2.3727 2.6451 2.6451 3.1909 3.1909 3.2837 3.2837 3.4692 3.4692 3.8337 3.8337 3.9090 3.9090 4.0723 4.0723 4.2077 4.2077 4.2828 4.2828 4.6251 4.6251 5.0346 5.0346 5.2888 5.2888 5.7965 5.7965 6.3268 6.3268 8.9009 8.9009 9.7842 9.7842 10.0507 10.0507 10.2195 10.2195 11.9876 11.9876 k = 0.5000 0.2887 0.3963 ( 5252 PWs) bands (ev): -19.9825 -19.9825 -6.7157 -6.7157 -6.4572 -6.4572 -4.6856 -4.6856 -3.8488 -3.8488 -3.7956 -3.7956 0.6615 0.6615 1.1440 1.1440 1.1819 1.1819 1.7358 1.7358 2.2007 2.2007 2.2889 2.2889 2.3714 2.3714 2.6432 2.6432 3.1890 3.1890 3.2852 3.2852 3.4719 3.4719 3.8271 3.8271 3.9087 3.9087 4.0721 4.0721 4.2072 4.2072 4.2897 4.2897 4.6232 4.6232 5.0555 5.0555 5.2863 5.2863 5.8004 5.8004 6.3190 6.3190 8.9084 8.9084 9.7908 9.7908 10.0229 10.0229 10.1864 10.1864 11.9361 11.9361 k = 0.5000 0.2887 0.3774 ( 5254 PWs) bands (ev): -19.9825 -19.9825 -6.7228 -6.7228 -6.4528 -6.4528 -4.6853 -4.6853 -3.8480 -3.8480 -3.7956 -3.7956 0.6695 0.6695 1.1392 1.1392 1.1939 1.1939 1.7343 1.7343 2.1990 2.1990 2.2894 2.2894 2.3697 2.3697 2.6412 2.6412 3.1873 3.1873 3.2864 3.2864 3.4747 3.4747 3.8203 3.8203 3.9077 3.9077 4.0722 4.0722 4.2070 4.2070 4.2967 4.2967 4.6215 4.6215 5.0765 5.0765 5.2873 5.2873 5.8026 5.8026 6.3103 6.3103 8.9157 8.9157 9.7975 9.7975 9.9691 9.9691 10.1785 10.1785 11.8883 11.8883 k = 0.5000 0.2887 0.3585 ( 5250 PWs) bands (ev): -19.9825 -19.9825 -6.7301 -6.7301 -6.4484 -6.4484 -4.6850 -4.6850 -3.8472 -3.8472 -3.7956 -3.7956 0.6777 0.6777 1.1341 1.1341 1.2071 1.2071 1.7325 1.7325 2.1969 2.1969 2.2900 2.2900 2.3675 2.3675 2.6389 2.6389 3.1857 3.1857 3.2872 3.2872 3.4778 3.4778 3.8132 3.8132 3.9063 3.9063 4.0726 4.0726 4.2070 4.2070 4.3040 4.3040 4.6199 4.6199 5.0971 5.0971 5.2923 5.2923 5.8032 5.8032 6.3008 6.3008 8.9217 8.9217 9.7994 9.7994 9.9097 9.9097 10.1811 10.1811 11.8452 11.8452 k = 0.5000 0.2887 0.3397 ( 5246 PWs) bands (ev): -19.9826 -19.9826 -6.7374 -6.7374 -6.4441 -6.4441 -4.6847 -4.6847 -3.8463 -3.8463 -3.7956 -3.7956 0.6862 0.6862 1.1292 1.1292 1.2212 1.2212 1.7307 1.7307 2.1944 2.1944 2.2909 2.2909 2.3647 2.3647 2.6366 2.6366 3.1844 3.1844 3.2877 3.2877 3.4810 3.4810 3.8057 3.8057 3.9044 3.9044 4.0734 4.0734 4.2072 4.2072 4.3112 4.3112 4.6187 4.6187 5.1169 5.1169 5.3016 5.3016 5.8026 5.8026 6.2903 6.2903 8.9252 8.9252 9.7785 9.7785 9.8732 9.8732 10.1851 10.1851 11.8075 11.8075 k = 0.5000 0.2887 0.3208 ( 5242 PWs) bands (ev): -19.9826 -19.9826 -6.7446 -6.7446 -6.4399 -6.4399 -4.6843 -4.6843 -3.8455 -3.8455 -3.7955 -3.7955 0.6947 0.6947 1.1244 1.1244 1.2359 1.2359 1.7288 1.7288 2.1917 2.1917 2.2917 2.2917 2.3614 2.3614 2.6342 2.6342 3.1832 3.1832 3.2878 3.2878 3.4845 3.4845 3.7979 3.7979 3.9022 3.9022 4.0747 4.0747 4.2076 4.2076 4.3183 4.3183 4.6178 4.6178 5.1355 5.1355 5.3151 5.3151 5.8009 5.8009 6.2790 6.2790 8.9247 8.9247 9.7263 9.7263 9.8729 9.8729 10.1869 10.1869 11.7755 11.7755 k = 0.5000 0.2887 0.3019 ( 5242 PWs) bands (ev): -19.9827 -19.9827 -6.7517 -6.7517 -6.4359 -6.4359 -4.6840 -4.6840 -3.8446 -3.8446 -3.7954 -3.7954 0.7031 0.7031 1.1201 1.1201 1.2513 1.2513 1.7268 1.7268 2.1886 2.1886 2.2925 2.2925 2.3577 2.3577 2.6317 2.6317 3.1823 3.1823 3.2876 3.2876 3.4882 3.4882 3.7897 3.7897 3.8997 3.8997 4.0765 4.0765 4.2082 4.2082 4.3252 4.3252 4.6173 4.6173 5.1528 5.1528 5.3324 5.3324 5.7985 5.7985 6.2669 6.2669 8.9183 8.9183 9.6673 9.6673 9.8876 9.8876 10.1854 10.1854 11.7488 11.7488 k = 0.5000 0.2887 0.2831 ( 5236 PWs) bands (ev): -19.9827 -19.9827 -6.7586 -6.7586 -6.4320 -6.4320 -4.6836 -4.6836 -3.8438 -3.8438 -3.7953 -3.7953 0.7114 0.7114 1.1164 1.1164 1.2670 1.2670 1.7247 1.7247 2.1853 2.1853 2.2930 2.2930 2.3538 2.3538 2.6293 2.6293 3.1816 3.1816 3.2869 3.2869 3.4923 3.4923 3.7810 3.7810 3.8972 3.8972 4.0787 4.0787 4.2089 4.2089 4.3317 4.3317 4.6173 4.6173 5.1687 5.1687 5.3530 5.3530 5.7958 5.7958 6.2540 6.2540 8.9041 8.9041 9.6130 9.6130 9.9082 9.9082 10.1802 10.1802 11.7272 11.7272 k = 0.5000 0.2887 0.2642 ( 5248 PWs) bands (ev): -19.9827 -19.9827 -6.7653 -6.7653 -6.4284 -6.4284 -4.6833 -4.6833 -3.8430 -3.8430 -3.7951 -3.7951 0.7193 0.7193 1.1132 1.1132 1.2828 1.2828 1.7226 1.7226 2.1818 2.1818 2.2929 2.2929 2.3499 2.3499 2.6270 2.6270 3.1811 3.1811 3.2858 3.2858 3.4966 3.4966 3.7719 3.7719 3.8947 3.8947 4.0813 4.0813 4.2097 4.2097 4.3378 4.3378 4.6177 4.6177 5.1835 5.1835 5.3763 5.3763 5.7933 5.7933 6.2406 6.2406 8.8807 8.8807 9.5675 9.5675 9.9320 9.9320 10.1718 10.1718 11.7099 11.7099 k = 0.5000 0.2887 0.2453 ( 5236 PWs) bands (ev): -19.9828 -19.9828 -6.7718 -6.7718 -6.4250 -6.4250 -4.6830 -4.6830 -3.8422 -3.8422 -3.7949 -3.7949 0.7267 0.7267 1.1108 1.1108 1.2987 1.2987 1.7206 1.7206 2.1782 2.1782 2.2918 2.2918 2.3464 2.3464 2.6248 2.6248 3.1809 3.1809 3.2843 3.2843 3.5014 3.5014 3.7623 3.7623 3.8923 3.8923 4.0843 4.0843 4.2107 4.2107 4.3435 4.3435 4.6185 4.6185 5.1970 5.1970 5.4014 5.4014 5.7915 5.7915 6.2265 6.2265 8.8477 8.8477 9.5321 9.5321 9.9574 9.9574 10.1616 10.1616 11.6962 11.6962 k = 0.5000 0.2887 0.2264 ( 5228 PWs) bands (ev): -19.9828 -19.9828 -6.7779 -6.7779 -6.4218 -6.4218 -4.6826 -4.6826 -3.8415 -3.8415 -3.7947 -3.7947 0.7337 0.7337 1.1092 1.1092 1.3144 1.3144 1.7186 1.7186 2.1744 2.1744 2.2895 2.2895 2.3435 2.3435 2.6228 2.6228 3.1810 3.1810 3.2823 3.2823 3.5066 3.5066 3.7522 3.7522 3.8901 3.8901 4.0875 4.0875 4.2119 4.2119 4.3485 4.3485 4.6198 4.6198 5.2093 5.2093 5.4277 5.4277 5.7906 5.7906 6.2121 6.2121 8.8059 8.8059 9.5067 9.5067 9.9824 9.9824 10.1518 10.1518 11.6857 11.6857 k = 0.5000 0.2887 0.2076 ( 5232 PWs) bands (ev): -19.9829 -19.9829 -6.7837 -6.7837 -6.4188 -6.4188 -4.6823 -4.6823 -3.8408 -3.8408 -3.7945 -3.7945 0.7400 0.7400 1.1085 1.1085 1.3297 1.3297 1.7167 1.7167 2.1705 2.1705 2.2859 2.2859 2.3417 2.3417 2.6209 2.6209 3.1815 3.1815 3.2799 3.2799 3.5122 3.5122 3.7418 3.7418 3.8881 3.8881 4.0909 4.0909 4.2131 4.2131 4.3529 4.3529 4.6214 4.6214 5.2204 5.2204 5.4546 5.4546 5.7910 5.7910 6.1974 6.1974 8.7569 8.7569 9.4899 9.4899 10.0028 10.0028 10.1469 10.1469 11.6776 11.6776 k = 0.5000 0.2887 0.1887 ( 5236 PWs) bands (ev): -19.9829 -19.9829 -6.7891 -6.7891 -6.4161 -6.4161 -4.6820 -4.6820 -3.8402 -3.8402 -3.7943 -3.7943 0.7456 0.7456 1.1085 1.1085 1.3443 1.3443 1.7149 1.7149 2.1666 2.1666 2.2809 2.2809 2.3409 2.3409 2.6192 2.6192 3.1823 3.1823 3.2771 3.2771 3.5184 3.5184 3.7309 3.7309 3.8864 3.8864 4.0945 4.0945 4.2145 4.2145 4.3568 4.3568 4.6234 4.6234 5.2301 5.2301 5.4816 5.4816 5.7927 5.7927 6.1827 6.1827 8.7034 8.7034 9.4799 9.4799 10.0128 10.0128 10.1532 10.1532 11.6717 11.6717 k = 0.5000 0.2887 0.1698 ( 5236 PWs) bands (ev): -19.9829 -19.9829 -6.7941 -6.7941 -6.4137 -6.4137 -4.6818 -4.6818 -3.8397 -3.8397 -3.7940 -3.7940 0.7506 0.7506 1.1093 1.1093 1.3581 1.3581 1.7134 1.7134 2.1627 2.1627 2.2749 2.2749 2.3409 2.3409 2.6178 2.6178 3.1835 3.1835 3.2739 3.2739 3.5250 3.5250 3.7197 3.7197 3.8849 3.8849 4.0980 4.0980 4.2159 4.2159 4.3600 4.3600 4.6256 4.6256 5.2383 5.2383 5.5084 5.5084 5.7959 5.7959 6.1682 6.1682 8.6476 8.6476 9.4748 9.4748 10.0099 10.0099 10.1734 10.1734 11.6675 11.6675 k = 0.5000 0.2887 0.1510 ( 5244 PWs) bands (ev): -19.9830 -19.9830 -6.7986 -6.7986 -6.4115 -6.4115 -4.6815 -4.6815 -3.8392 -3.8392 -3.7938 -3.7938 0.7548 0.7548 1.1108 1.1108 1.3708 1.3708 1.7121 1.7121 2.1589 2.1589 2.2683 2.2683 2.3415 2.3415 2.6166 2.6166 3.1851 3.1851 3.2703 3.2703 3.5322 3.5322 3.7083 3.7083 3.8837 3.8837 4.1013 4.1013 4.2173 4.2173 4.3627 4.3627 4.6279 4.6279 5.2449 5.2449 5.5344 5.5344 5.8002 5.8002 6.1542 6.1542 8.5920 8.5920 9.4728 9.4728 9.9978 9.9978 10.2040 10.2040 11.6646 11.6646 k = 0.5000 0.2887 0.1321 ( 5238 PWs) bands (ev): -19.9830 -19.9830 -6.8026 -6.8026 -6.4096 -6.4096 -4.6813 -4.6813 -3.8387 -3.8387 -3.7935 -3.7935 0.7584 0.7584 1.1127 1.1127 1.3823 1.3823 1.7111 1.7111 2.1551 2.1551 2.2615 2.2615 2.3425 2.3425 2.6155 2.6155 3.1870 3.1870 3.2664 3.2664 3.5399 3.5399 3.6967 3.6967 3.8826 3.8826 4.1045 4.1045 4.2188 4.2188 4.3648 4.3648 4.6303 4.6303 5.2501 5.2501 5.5594 5.5594 5.8051 5.8051 6.1410 6.1410 8.5385 8.5385 9.4729 9.4729 9.9815 9.9815 10.2398 10.2398 11.6626 11.6626 k = 0.5000 0.2887 0.1132 ( 5246 PWs) bands (ev): -19.9830 -19.9830 -6.8062 -6.8062 -6.4079 -6.4079 -4.6811 -4.6811 -3.8384 -3.8384 -3.7933 -3.7933 0.7613 0.7613 1.1150 1.1150 1.3924 1.3924 1.7103 1.7103 2.1516 2.1516 2.2549 2.2549 2.3437 2.3437 2.6147 2.6147 3.1894 3.1894 3.2624 3.2624 3.5482 3.5482 3.6849 3.6849 3.8818 3.8818 4.1075 4.1075 4.2203 4.2203 4.3665 4.3665 4.6326 4.6326 5.2539 5.2539 5.5830 5.5830 5.8102 5.8102 6.1290 6.1290 8.4887 8.4887 9.4741 9.4741 9.9641 9.9641 10.2773 10.2773 11.6610 11.6610 k = 0.5000 0.2887 0.0944 ( 5242 PWs) bands (ev): -19.9830 -19.9830 -6.8092 -6.8092 -6.4065 -6.4065 -4.6809 -4.6809 -3.8380 -3.8380 -3.7931 -3.7931 0.7636 0.7636 1.1175 1.1175 1.4011 1.4011 1.7099 1.7099 2.1483 2.1483 2.2489 2.2489 2.3449 2.3449 2.6140 2.6140 3.1919 3.1919 3.2582 3.2582 3.5568 3.5568 3.6732 3.6732 3.8812 3.8812 4.1101 4.1101 4.2216 4.2216 4.3677 4.3677 4.6348 4.6348 5.2566 5.2566 5.6048 5.6048 5.8147 5.8147 6.1185 6.1185 8.4441 8.4441 9.4758 9.4758 9.9474 9.9474 10.3142 10.3142 11.6595 11.6595 k = 0.5000 0.2887 0.0755 ( 5244 PWs) bands (ev): -19.9830 -19.9830 -6.8118 -6.8118 -6.4053 -6.4053 -4.6808 -4.6808 -3.8378 -3.8378 -3.7929 -3.7929 0.7653 0.7653 1.1198 1.1198 1.4082 1.4082 1.7097 1.7097 2.1454 2.1454 2.2436 2.2436 2.3460 2.3460 2.6134 2.6134 3.1946 3.1946 3.2541 3.2541 3.5658 3.5658 3.6617 3.6617 3.8807 3.8807 4.1122 4.1122 4.2228 4.2228 4.3687 4.3687 4.6367 4.6367 5.2583 5.2583 5.6242 5.6242 5.8183 5.8183 6.1097 6.1097 8.4059 8.4059 9.4776 9.4776 9.9325 9.9325 10.3483 10.3483 11.6578 11.6578 k = 0.5000 0.2887 0.0566 ( 5240 PWs) bands (ev): -19.9831 -19.9831 -6.8137 -6.8137 -6.4044 -6.4044 -4.6806 -4.6806 -3.8376 -3.8376 -3.7927 -3.7927 0.7667 0.7667 1.1219 1.1219 1.4137 1.4137 1.7096 1.7096 2.1429 2.1429 2.2394 2.2394 2.3469 2.3469 2.6130 2.6130 3.1973 3.1973 3.2504 3.2504 3.5750 3.5750 3.6505 3.6505 3.8804 3.8804 4.1140 4.1140 4.2238 4.2238 4.3693 4.3693 4.6383 4.6383 5.2594 5.2594 5.6407 5.6407 5.8206 5.8206 6.1029 6.1029 8.3751 8.3751 9.4793 9.4793 9.9202 9.9202 10.3776 10.3776 11.6558 11.6558 k = 0.5000 0.2887 0.0377 ( 5232 PWs) bands (ev): -19.9831 -19.9831 -6.8151 -6.8151 -6.4038 -6.4038 -4.6806 -4.6806 -3.8374 -3.8374 -3.7926 -3.7926 0.7675 0.7675 1.1235 1.1235 1.4176 1.4176 1.7096 1.7096 2.1411 2.1411 2.2362 2.2362 2.3476 2.3476 2.6128 2.6128 3.1996 3.1996 3.2473 3.2473 3.5839 3.5839 3.6400 3.6400 3.8801 3.8801 4.1152 4.1152 4.2246 4.2246 4.3697 4.3697 4.6395 4.6395 5.2599 5.2599 5.6534 5.6534 5.8218 5.8218 6.0982 6.0982 8.3525 8.3525 9.4806 9.4806 9.9111 9.9111 10.4003 10.4003 11.6538 11.6538 k = 0.5000 0.2887 0.0189 ( 5246 PWs) bands (ev): -19.9831 -19.9831 -6.8160 -6.8160 -6.4034 -6.4034 -4.6805 -4.6805 -3.8374 -3.8374 -3.7925 -3.7925 0.7681 0.7681 1.1245 1.1245 1.4199 1.4199 1.7097 1.7097 2.1400 2.1400 2.2343 2.2343 2.3480 2.3480 2.6126 2.6126 3.2013 3.2013 3.2451 3.2451 3.5915 3.5915 3.6315 3.6315 3.8800 3.8800 4.1160 4.1160 4.2251 4.2251 4.3699 4.3699 4.6402 4.6402 5.2602 5.2602 5.6614 5.6614 5.8221 5.8221 6.0954 6.0954 8.3387 8.3387 9.4814 9.4814 9.9054 9.9054 10.4146 10.4146 11.6522 11.6522 k = 0.5000 0.2887-0.0000 ( 5244 PWs) bands (ev): -19.9831 -19.9831 -6.8163 -6.8163 -6.4033 -6.4033 -4.6805 -4.6805 -3.8373 -3.8373 -3.7925 -3.7925 0.7682 0.7682 1.1249 1.1249 1.4207 1.4207 1.7097 1.7097 2.1396 2.1396 2.2337 2.2337 2.3482 2.3482 2.6125 2.6125 3.2019 3.2019 3.2444 3.2444 3.5949 3.5949 3.6278 3.6278 3.8800 3.8800 4.1163 4.1163 4.2253 4.2253 4.3700 4.3700 4.6405 4.6405 5.2603 5.2603 5.6642 5.6642 5.8222 5.8222 6.0945 6.0945 8.3341 8.3341 9.4817 9.4817 9.9035 9.9035 10.4196 10.4196 11.6516 11.6516 k = 0.3333 0.5774-0.0000 ( 5232 PWs) bands (ev): -19.9830 -19.9830 -6.6233 -6.6233 -6.6193 -6.6193 -4.6711 -4.6711 -3.8111 -3.8111 -3.8046 -3.8046 0.8567 0.8567 1.2742 1.2742 1.3289 1.3289 1.8191 1.8191 2.0095 2.0095 2.0561 2.0561 2.5418 2.5418 2.5665 2.5665 3.0694 3.0694 3.1595 3.1595 3.4643 3.4643 3.8963 3.8963 3.9889 3.9889 4.1471 4.1471 4.1768 4.1768 4.4348 4.4348 4.8123 4.8123 4.9453 4.9453 5.5420 5.5420 5.7154 5.7154 5.9568 5.9568 9.1080 9.1080 9.3023 9.3023 9.3400 9.3400 10.5689 10.5689 11.5956 11.5956 k = 0.3333 0.5774 0.0189 ( 5229 PWs) bands (ev): -19.9830 -19.9830 -6.6232 -6.6232 -6.6192 -6.6192 -4.6712 -4.6712 -3.8112 -3.8112 -3.8046 -3.8046 0.8571 0.8571 1.2735 1.2735 1.3279 1.3279 1.8190 1.8190 2.0097 2.0097 2.0563 2.0563 2.5422 2.5422 2.5664 2.5664 3.0696 3.0696 3.1604 3.1604 3.4641 3.4641 3.8965 3.8965 3.9881 3.9881 4.1472 4.1472 4.1766 4.1766 4.4348 4.4348 4.8114 4.8114 4.9458 4.9458 5.5421 5.5421 5.7144 5.7144 5.9561 5.9561 9.1092 9.1092 9.3060 9.3060 9.3437 9.3437 10.5698 10.5698 11.5890 11.5890 k = 0.3333 0.5774 0.0377 ( 5238 PWs) bands (ev): -19.9830 -19.9830 -6.6228 -6.6228 -6.6189 -6.6189 -4.6713 -4.6713 -3.8114 -3.8114 -3.8047 -3.8047 0.8580 0.8580 1.2713 1.2713 1.3247 1.3247 1.8188 1.8188 2.0102 2.0102 2.0572 2.0572 2.5435 2.5435 2.5660 2.5660 3.0703 3.0703 3.1628 3.1628 3.4634 3.4634 3.8972 3.8972 3.9856 3.9856 4.1475 4.1475 4.1761 4.1761 4.4348 4.4348 4.8086 4.8086 4.9473 4.9473 5.5427 5.5427 5.7115 5.7115 5.9541 5.9541 9.1128 9.1128 9.3171 9.3171 9.3547 9.3547 10.5725 10.5725 11.5694 11.5694 k = 0.3333 0.5774 0.0566 ( 5238 PWs) bands (ev): -19.9830 -19.9830 -6.6223 -6.6223 -6.6183 -6.6183 -4.6715 -4.6715 -3.8118 -3.8118 -3.8048 -3.8048 0.8595 0.8595 1.2677 1.2677 1.3196 1.3196 1.8184 1.8184 2.0109 2.0109 2.0585 2.0585 2.5455 2.5455 2.5655 2.5655 3.0714 3.0714 3.1668 3.1668 3.4622 3.4622 3.8983 3.8983 3.9816 3.9816 4.1479 4.1479 4.1752 4.1752 4.4348 4.4348 4.8041 4.8041 4.9497 4.9497 5.5437 5.5437 5.7067 5.7067 5.9509 5.9509 9.1189 9.1189 9.3353 9.3353 9.3729 9.3729 10.5770 10.5770 11.5382 11.5382 k = 0.3333 0.5774 0.0755 ( 5244 PWs) bands (ev): -19.9830 -19.9830 -6.6215 -6.6215 -6.6176 -6.6176 -4.6718 -4.6718 -3.8124 -3.8124 -3.8049 -3.8049 0.8616 0.8616 1.2629 1.2629 1.3125 1.3125 1.8179 1.8179 2.0120 2.0120 2.0602 2.0602 2.5483 2.5483 2.5647 2.5647 3.0729 3.0729 3.1724 3.1724 3.4606 3.4606 3.8998 3.8998 3.9762 3.9762 4.1485 4.1485 4.1739 4.1739 4.4349 4.4349 4.7978 4.7978 4.9530 4.9530 5.5452 5.5452 5.7000 5.7000 5.9466 5.9466 9.1273 9.1273 9.3606 9.3606 9.3980 9.3980 10.5833 10.5833 11.4971 11.4971 k = 0.3333 0.5774 0.0944 ( 5247 PWs) bands (ev): -19.9830 -19.9830 -6.6206 -6.6206 -6.6166 -6.6166 -4.6722 -4.6722 -3.8131 -3.8131 -3.8051 -3.8051 0.8641 0.8641 1.2571 1.2571 1.3037 1.3037 1.8173 1.8173 2.0133 2.0133 2.0624 2.0624 2.5518 2.5518 2.5638 2.5638 3.0750 3.0750 3.1792 3.1792 3.4586 3.4586 3.9014 3.9014 3.9695 3.9695 4.1492 4.1492 4.1722 4.1722 4.4351 4.4351 4.7898 4.7898 4.9570 4.9570 5.5474 5.5474 5.6915 5.6915 5.9414 5.9414 9.1379 9.1379 9.3925 9.3925 9.4296 9.4296 10.5916 10.5916 11.4479 11.4479 k = 0.3333 0.5774 0.1132 ( 5247 PWs) bands (ev): -19.9830 -19.9830 -6.6194 -6.6194 -6.6155 -6.6155 -4.6726 -4.6726 -3.8140 -3.8140 -3.8053 -3.8053 0.8669 0.8669 1.2504 1.2504 1.2931 1.2931 1.8165 1.8165 2.0148 2.0148 2.0648 2.0648 2.5559 2.5559 2.5627 2.5627 3.0776 3.0776 3.1873 3.1873 3.4561 3.4561 3.9028 3.9028 3.9620 3.9620 4.1499 4.1499 4.1702 4.1702 4.4354 4.4354 4.7804 4.7804 4.9615 4.9615 5.5503 5.5503 5.6812 5.6812 5.9356 5.9356 9.1507 9.1507 9.4307 9.4307 9.4671 9.4671 10.6020 10.6020 11.3927 11.3927 k = 0.3333 0.5774 0.1321 ( 5256 PWs) bands (ev): -19.9829 -19.9829 -6.6181 -6.6181 -6.6141 -6.6141 -4.6731 -4.6731 -3.8150 -3.8150 -3.8055 -3.8055 0.8699 0.8699 1.2433 1.2433 1.2812 1.2812 1.8156 1.8156 2.0164 2.0164 2.0674 2.0674 2.5605 2.5605 2.5615 2.5615 3.0807 3.0807 3.1963 3.1963 3.4532 3.4532 3.9034 3.9034 3.9544 3.9544 4.1508 4.1508 4.1678 4.1678 4.4360 4.4360 4.7695 4.7695 4.9665 4.9665 5.5542 5.5542 5.6691 5.6691 5.9295 5.9295 9.1656 9.1656 9.4745 9.4745 9.5100 9.5100 10.6145 10.6145 11.3333 11.3333 k = 0.3333 0.5774 0.1510 ( 5253 PWs) bands (ev): -19.9829 -19.9829 -6.6166 -6.6166 -6.6126 -6.6126 -4.6737 -4.6737 -3.8161 -3.8161 -3.8057 -3.8057 0.8730 0.8730 1.2359 1.2359 1.2679 1.2679 1.8145 1.8145 2.0181 2.0181 2.0701 2.0701 2.5601 2.5601 2.5654 2.5654 3.0845 3.0845 3.2063 3.2063 3.4500 3.4500 3.9020 3.9020 3.9478 3.9478 4.1516 4.1516 4.1651 4.1651 4.4369 4.4369 4.7575 4.7575 4.9716 4.9716 5.5590 5.5590 5.6553 5.6553 5.9234 5.9234 9.1824 9.1824 9.5235 9.5235 9.5575 9.5575 10.6293 10.6293 11.2713 11.2713 k = 0.3333 0.5774 0.1698 ( 5250 PWs) bands (ev): -19.9829 -19.9829 -6.6149 -6.6149 -6.6110 -6.6110 -4.6743 -4.6743 -3.8173 -3.8173 -3.8060 -3.8060 0.8758 0.8758 1.2286 1.2286 1.2535 1.2535 1.8134 1.8134 2.0200 2.0200 2.0728 2.0728 2.5587 2.5587 2.5707 2.5707 3.0889 3.0889 3.2168 3.2168 3.4465 3.4465 3.8971 3.8971 3.9440 3.9440 4.1525 4.1525 4.1621 4.1621 4.4381 4.4381 4.7444 4.7444 4.9768 4.9768 5.5650 5.5650 5.6399 5.6399 5.9178 5.9178 9.2010 9.2010 9.5768 9.5768 9.6085 9.6085 10.6464 10.6464 11.2084 11.2084 k = 0.3333 0.5774 0.1887 ( 5262 PWs) bands (ev): -19.9828 -19.9828 -6.6131 -6.6131 -6.6092 -6.6092 -4.6750 -4.6750 -3.8186 -3.8186 -3.8063 -3.8063 0.8783 0.8783 1.2218 1.2218 1.2383 1.2383 1.8120 1.8120 2.0218 2.0218 2.0755 2.0755 2.5572 2.5572 2.5761 2.5761 3.0940 3.0940 3.2279 3.2279 3.4426 3.4426 3.8879 3.8879 3.9435 3.9435 4.1532 4.1532 4.1588 4.1588 4.4396 4.4396 4.7306 4.7306 4.9819 4.9819 5.5721 5.5721 5.6229 5.6229 5.9128 5.9128 9.2211 9.2211 9.6335 9.6335 9.6621 9.6621 10.6658 10.6658 11.1463 11.1463 k = 0.3333 0.5774 0.2076 ( 5265 PWs) bands (ev): -19.9828 -19.9828 -6.6112 -6.6112 -6.6073 -6.6073 -4.6758 -4.6758 -3.8201 -3.8201 -3.8067 -3.8067 0.8803 0.8803 1.2158 1.2158 1.2223 1.2223 1.8106 1.8106 2.0237 2.0237 2.0780 2.0780 2.5557 2.5557 2.5816 2.5816 3.0997 3.0997 3.2392 3.2392 3.4385 3.4385 3.8755 3.8755 3.9457 3.9457 4.1538 4.1538 4.1553 4.1553 4.4413 4.4413 4.7162 4.7162 4.9866 4.9866 5.5805 5.5805 5.6045 5.6045 5.9089 5.9089 9.2428 9.2428 9.6923 9.6923 9.7167 9.7167 10.6872 10.6872 11.0868 11.0868 k = 0.3333 0.5774 0.2264 ( 5265 PWs) bands (ev): -19.9828 -19.9828 -6.6092 -6.6092 -6.6053 -6.6053 -4.6766 -4.6766 -3.8215 -3.8215 -3.8070 -3.8070 0.8814 0.8814 1.2059 1.2059 1.2108 1.2108 1.8090 1.8090 2.0256 2.0256 2.0804 2.0804 2.5541 2.5541 2.5870 2.5870 3.1062 3.1062 3.2505 3.2505 3.4342 3.4342 3.8607 3.8607 3.9496 3.9496 4.1515 4.1515 4.1542 4.1542 4.4434 4.4434 4.7015 4.7015 4.9908 4.9908 5.5848 5.5848 5.5902 5.5902 5.9063 5.9063 9.2656 9.2656 9.7520 9.7520 9.7707 9.7707 10.7104 10.7104 11.0322 11.0322 k = 0.3333 0.5774 0.2453 ( 5259 PWs) bands (ev): -19.9827 -19.9827 -6.6071 -6.6071 -6.6032 -6.6032 -4.6774 -4.6774 -3.8231 -3.8231 -3.8074 -3.8074 0.8816 0.8816 1.1891 1.1891 1.2072 1.2072 1.8072 1.8072 2.0274 2.0274 2.0826 2.0826 2.5526 2.5526 2.5923 2.5923 3.1134 3.1134 3.2618 3.2618 3.4296 3.4296 3.8444 3.8444 3.9545 3.9545 4.1477 4.1477 4.1543 4.1543 4.4457 4.4457 4.6867 4.6867 4.9943 4.9943 5.5641 5.5641 5.6011 5.6011 5.9052 5.9052 9.2895 9.2895 9.8106 9.8106 9.8222 9.8222 10.7342 10.7342 10.9857 10.9857 k = 0.3333 0.5774 0.2642 ( 5274 PWs) bands (ev): -19.9827 -19.9827 -6.6049 -6.6049 -6.6011 -6.6011 -4.6782 -4.6782 -3.8247 -3.8247 -3.8078 -3.8078 0.8807 0.8807 1.1723 1.1723 1.2052 1.2052 1.8053 1.8053 2.0291 2.0291 2.0846 2.0846 2.5511 2.5511 2.5973 2.5973 3.1214 3.1214 3.2729 3.2729 3.4250 3.4250 3.8271 3.8271 3.9601 3.9601 4.1438 4.1438 4.1542 4.1542 4.4483 4.4483 4.6722 4.6722 4.9971 4.9971 5.5425 5.5425 5.6132 5.6132 5.9056 5.9056 9.3142 9.3142 9.8657 9.8657 9.8686 9.8686 10.7569 10.7569 10.9515 10.9515 k = 0.3333 0.5774 0.2831 ( 5280 PWs) bands (ev): -19.9827 -19.9827 -6.6027 -6.6027 -6.5989 -6.5989 -4.6791 -4.6791 -3.8263 -3.8263 -3.8082 -3.8082 0.8786 0.8786 1.1554 1.1554 1.2048 1.2048 1.8033 1.8033 2.0308 2.0308 2.0863 2.0863 2.5496 2.5496 2.6021 2.6021 3.1300 3.1300 3.2835 3.2835 3.4201 3.4201 3.8091 3.8091 3.9661 3.9661 4.1398 4.1398 4.1537 4.1537 4.4510 4.4510 4.6580 4.6580 4.9989 4.9989 5.5204 5.5204 5.6263 5.6263 5.9077 5.9077 9.3395 9.3395 9.9077 9.9077 9.9147 9.9147 10.7754 10.7754 10.9355 10.9355 k = 0.3333 0.5774 0.3019 ( 5274 PWs) bands (ev): -19.9826 -19.9826 -6.6005 -6.6005 -6.5967 -6.5967 -4.6799 -4.6799 -3.8279 -3.8279 -3.8086 -3.8086 0.8754 0.8754 1.1388 1.1388 1.2061 1.2061 1.8012 1.8012 2.0324 2.0324 2.0878 2.0878 2.5481 2.5481 2.6065 2.6065 3.1392 3.1392 3.2937 3.2937 3.4152 3.4152 3.7906 3.7906 3.9723 3.9723 4.1357 4.1357 4.1528 4.1528 4.4539 4.4539 4.6444 4.6444 4.9998 4.9998 5.4981 5.4981 5.6405 5.6405 5.9113 5.9113 9.3652 9.3652 9.9370 9.9370 9.9544 9.9544 10.7893 10.7893 10.9415 10.9415 k = 0.3333 0.5774 0.3208 ( 5262 PWs) bands (ev): -19.9826 -19.9826 -6.5983 -6.5983 -6.5945 -6.5945 -4.6808 -4.6808 -3.8295 -3.8295 -3.8089 -3.8089 0.8712 0.8712 1.1226 1.1226 1.2089 1.2089 1.7989 1.7989 2.0338 2.0338 2.0890 2.0890 2.5468 2.5468 2.6105 2.6105 3.1491 3.1491 3.3033 3.3033 3.4103 3.4103 3.7718 3.7718 3.9788 3.9788 4.1317 4.1317 4.1515 4.1515 4.4568 4.4568 4.6316 4.6316 4.9996 4.9996 5.4758 5.4758 5.6554 5.6554 5.9164 5.9164 9.3909 9.3909 9.9550 9.9550 9.9819 9.9819 10.8040 10.8040 10.9665 10.9665 k = 0.3333 0.5774 0.3397 ( 5268 PWs) bands (ev): -19.9825 -19.9825 -6.5962 -6.5962 -6.5924 -6.5924 -4.6816 -4.6816 -3.8311 -3.8311 -3.8093 -3.8093 0.8661 0.8661 1.1069 1.1069 1.2132 1.2132 1.7966 1.7966 2.0352 2.0352 2.0900 2.0900 2.5454 2.5454 2.6142 2.6142 3.1595 3.1595 3.3123 3.3123 3.4053 3.4053 3.7530 3.7530 3.9854 3.9854 4.1277 4.1277 4.1499 4.1499 4.4598 4.4598 4.6197 4.6197 4.9984 4.9984 5.4541 5.4541 5.6710 5.6710 5.9229 5.9229 9.4165 9.4165 9.9611 9.9611 9.9957 9.9957 10.8274 10.8274 11.0041 11.0041 k = 0.3333 0.5774 0.3585 ( 5280 PWs) bands (ev): -19.9825 -19.9825 -6.5940 -6.5940 -6.5903 -6.5903 -4.6825 -4.6825 -3.8326 -3.8326 -3.8097 -3.8097 0.8603 0.8603 1.0918 1.0918 1.2188 1.2188 1.7941 1.7941 2.0365 2.0365 2.0908 2.0908 2.5442 2.5442 2.6175 2.6175 3.1704 3.1704 3.3206 3.3206 3.4002 3.4002 3.7343 3.7343 3.9920 3.9920 4.1238 4.1238 4.1479 4.1479 4.4628 4.4628 4.6088 4.6088 4.9962 4.9962 5.4331 5.4331 5.6870 5.6870 5.9305 5.9305 9.4417 9.4417 9.9562 9.9562 9.9960 9.9960 10.8631 10.8631 11.0500 11.0500 k = 0.3333 0.5774 0.3774 ( 5274 PWs) bands (ev): -19.9825 -19.9825 -6.5920 -6.5920 -6.5882 -6.5882 -4.6833 -4.6833 -3.8341 -3.8341 -3.8101 -3.8101 0.8541 0.8541 1.0775 1.0775 1.2252 1.2252 1.7916 1.7916 2.0377 2.0377 2.0915 2.0915 2.5430 2.5430 2.6204 2.6204 3.1817 3.1817 3.3281 3.3281 3.3952 3.3952 3.7159 3.7159 3.9986 3.9986 4.1199 4.1199 4.1456 4.1456 4.4658 4.4658 4.5989 4.5989 4.9930 4.9930 5.4132 5.4132 5.7032 5.7032 5.9389 5.9389 9.4662 9.4662 9.9421 9.9421 9.9851 9.9851 10.9107 10.9107 11.1020 11.1020 k = 0.3333 0.5774 0.3963 ( 5271 PWs) bands (ev): -19.9824 -19.9824 -6.5900 -6.5900 -6.5863 -6.5863 -4.6840 -4.6840 -3.8355 -3.8355 -3.8104 -3.8104 0.8476 0.8476 1.0640 1.0640 1.2324 1.2324 1.7891 1.7891 2.0387 2.0387 2.0919 2.0919 2.5419 2.5419 2.6229 2.6229 3.1932 3.1932 3.3349 3.3349 3.3902 3.3902 3.6980 3.6980 4.0051 4.0051 4.1161 4.1161 4.1430 4.1430 4.4686 4.4686 4.5902 4.5902 4.9889 4.9889 5.3946 5.3946 5.7193 5.7193 5.9480 5.9480 9.4898 9.4898 9.9214 9.9214 9.9660 9.9660 10.9678 10.9678 11.1588 11.1588 k = 0.3333 0.5774 0.4152 ( 5277 PWs) bands (ev): -19.9824 -19.9824 -6.5882 -6.5882 -6.5845 -6.5845 -4.6848 -4.6848 -3.8368 -3.8368 -3.8108 -3.8108 0.8411 0.8411 1.0516 1.0516 1.2399 1.2399 1.7865 1.7865 2.0397 2.0397 2.0922 2.0922 2.5409 2.5409 2.6251 2.6251 3.2049 3.2049 3.3409 3.3409 3.3852 3.3852 3.6808 3.6808 4.0114 4.0114 4.1124 4.1124 4.1403 4.1403 4.4714 4.4714 4.5825 4.5825 4.9841 4.9841 5.3776 5.3776 5.7350 5.7350 5.9574 5.9574 9.5121 9.5121 9.8963 9.8963 9.9416 9.9416 11.0314 11.0314 11.2194 11.2194 k = 0.3333 0.5774 0.4340 ( 5268 PWs) bands (ev): -19.9824 -19.9824 -6.5865 -6.5865 -6.5828 -6.5828 -4.6854 -4.6854 -3.8380 -3.8380 -3.8111 -3.8111 0.8348 0.8348 1.0402 1.0402 1.2475 1.2475 1.7841 1.7841 2.0406 2.0406 2.0924 2.0924 2.5400 2.5400 2.6270 2.6270 3.2167 3.2167 3.3462 3.3462 3.3803 3.3803 3.6644 3.6644 4.0175 4.0175 4.1088 4.1088 4.1375 4.1375 4.4739 4.4739 4.5758 4.5758 4.9787 4.9787 5.3623 5.3623 5.7501 5.7501 5.9669 5.9669 9.5329 9.5329 9.8692 9.8692 9.9148 9.9148 11.0986 11.0986 11.2829 11.2829 k = 0.3333 0.5774 0.4529 ( 5262 PWs) bands (ev): -19.9823 -19.9823 -6.5850 -6.5850 -6.5813 -6.5813 -4.6860 -4.6860 -3.8391 -3.8391 -3.8114 -3.8114 0.8288 0.8288 1.0300 1.0300 1.2550 1.2550 1.7817 1.7817 2.0413 2.0413 2.0925 2.0925 2.5392 2.5392 2.6286 2.6286 3.2283 3.2283 3.3507 3.3507 3.3753 3.3753 3.6492 3.6492 4.0234 4.0234 4.1054 4.1054 4.1348 4.1348 4.4763 4.4763 4.5701 4.5701 4.9731 4.9731 5.3488 5.3488 5.7643 5.7643 5.9761 5.9761 9.5520 9.5520 9.8417 9.8417 9.8876 9.8876 11.1670 11.1670 11.3481 11.3481 k = 0.3333 0.5774 0.4718 ( 5268 PWs) bands (ev): -19.9823 -19.9823 -6.5836 -6.5836 -6.5799 -6.5799 -4.6866 -4.6866 -3.8401 -3.8401 -3.8116 -3.8116 0.8233 0.8233 1.0209 1.0209 1.2620 1.2620 1.7794 1.7794 2.0419 2.0419 2.0925 2.0925 2.5384 2.5384 2.6299 2.6299 3.2397 3.2397 3.3546 3.3546 3.3704 3.3704 3.6353 3.6353 4.0289 4.0289 4.1020 4.1020 4.1322 4.1322 4.4784 4.4784 4.5654 4.5654 4.9675 4.9675 5.3372 5.3372 5.7773 5.7773 5.9847 5.9847 9.5692 9.5692 9.8154 9.8154 9.8615 9.8615 11.2345 11.2345 11.4131 11.4131 k = 0.3333 0.5774 0.4906 ( 5262 PWs) bands (ev): -19.9823 -19.9823 -6.5824 -6.5824 -6.5787 -6.5787 -4.6870 -4.6870 -3.8409 -3.8409 -3.8118 -3.8118 0.8185 0.8185 1.0132 1.0132 1.2684 1.2684 1.7774 1.7774 2.0425 2.0425 2.0925 2.0925 2.5378 2.5378 2.6310 2.6310 3.2506 3.2506 3.3578 3.3578 3.3655 3.3655 3.6229 3.6229 4.0340 4.0340 4.0989 4.0989 4.1298 4.1298 4.4802 4.4802 4.5615 4.5615 4.9621 4.9621 5.3275 5.3275 5.7888 5.7888 5.9925 5.9925 9.5841 9.5841 9.7914 9.7914 9.8378 9.8378 11.2993 11.2993 11.4757 11.4757 k = 0.3333 0.5774 0.5095 ( 5244 PWs) bands (ev): -19.9823 -19.9823 -6.5814 -6.5814 -6.5778 -6.5778 -4.6874 -4.6874 -3.8416 -3.8416 -3.8120 -3.8120 0.8144 0.8144 1.0068 1.0068 1.2739 1.2739 1.7757 1.7757 2.0429 2.0429 2.0925 2.0925 2.5373 2.5373 2.6319 2.6319 3.2606 3.2606 3.3604 3.3604 3.3607 3.3607 3.6123 3.6123 4.0385 4.0385 4.0960 4.0960 4.1277 4.1277 4.4817 4.4817 4.5584 4.5584 4.9572 4.9572 5.3196 5.3196 5.7986 5.7986 5.9993 5.9993 9.5966 9.5966 9.7707 9.7707 9.8173 9.8173 11.3592 11.3592 11.5331 11.5331 k = 0.3333 0.5774 0.5284 ( 5229 PWs) bands (ev): -19.9823 -19.9823 -6.5807 -6.5807 -6.5770 -6.5770 -4.6877 -4.6877 -3.8421 -3.8421 -3.8121 -3.8121 0.8111 0.8111 1.0018 1.0018 1.2784 1.2784 1.7742 1.7742 2.0433 2.0433 2.0924 2.0924 2.5370 2.5370 2.6325 2.6325 3.2695 3.2695 3.3563 3.3563 3.3623 3.3623 3.6037 3.6037 4.0424 4.0424 4.0935 4.0935 4.1261 4.1261 4.4830 4.4830 4.5561 4.5561 4.9531 4.9531 5.3135 5.3135 5.8064 5.8064 6.0048 6.0048 9.6065 9.6065 9.7539 9.7539 9.8008 9.8008 11.4117 11.4117 11.5824 11.5824 k = 0.3333 0.5774 0.5473 ( 5226 PWs) bands (ev): -19.9822 -19.9822 -6.5801 -6.5801 -6.5764 -6.5764 -4.6879 -4.6879 -3.8425 -3.8425 -3.8122 -3.8122 0.8087 0.8087 0.9982 0.9982 1.2817 1.2817 1.7732 1.7732 2.0435 2.0435 2.0923 2.0923 2.5367 2.5367 2.6330 2.6330 3.2767 3.2767 3.3524 3.3524 3.3637 3.3637 3.5974 3.5974 4.0454 4.0454 4.0914 4.0914 4.1248 4.1248 4.4839 4.4839 4.5545 4.5545 4.9500 4.9500 5.3092 5.3092 5.8122 5.8122 6.0089 6.0089 9.6137 9.6137 9.7415 9.7415 9.7887 9.7887 11.4536 11.4536 11.6203 11.6203 k = 0.3333 0.5774 0.5661 ( 5220 PWs) bands (ev): -19.9822 -19.9822 -6.5797 -6.5797 -6.5761 -6.5761 -4.6881 -4.6881 -3.8428 -3.8428 -3.8123 -3.8123 0.8073 0.8073 0.9960 0.9960 1.2837 1.2837 1.7725 1.7725 2.0437 2.0437 2.0923 2.0923 2.5365 2.5365 2.6332 2.6332 3.2814 3.2814 3.3497 3.3497 3.3645 3.3645 3.5936 3.5936 4.0473 4.0473 4.0901 4.0901 4.1240 4.1240 4.4844 4.4844 4.5535 4.5535 4.9481 4.9481 5.3067 5.3067 5.8157 5.8157 6.0113 6.0113 9.6181 9.6181 9.7340 9.7340 9.7813 9.7813 11.4810 11.4810 11.6441 11.6441 k = 0.3333 0.5774 0.5850 ( 5214 PWs) bands (ev): -19.9822 -19.9822 -6.5796 -6.5796 -6.5760 -6.5760 -4.6881 -4.6881 -3.8429 -3.8429 -3.8123 -3.8123 0.8068 0.8068 0.9953 0.9953 1.2844 1.2844 1.7723 1.7723 2.0437 2.0437 2.0923 2.0923 2.5365 2.5365 2.6333 2.6333 3.2831 3.2831 3.3487 3.3487 3.3648 3.3648 3.5923 3.5923 4.0480 4.0480 4.0896 4.0896 4.1238 4.1238 4.4846 4.4846 4.5532 4.5532 4.9475 4.9475 5.3058 5.3058 5.8168 5.8168 6.0122 6.0122 9.6195 9.6195 9.7314 9.7314 9.7788 9.7788 11.4906 11.4906 11.6522 11.6522 Writing output data file RbAu3Se2.save init_run : 0.53s CPU 0.72s WALL ( 1 calls) electrons : 256.31s CPU 259.64s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.04s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 256.31s CPU 259.64s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.13s CPU 0.22s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.08s WALL ( 268 calls) cegterg : 239.35s CPU 242.13s WALL ( 523 calls) Called by sum_band: Called by *egterg: h_psi : 140.28s CPU 142.17s WALL ( 7991 calls) s_psi : 8.65s CPU 8.63s WALL ( 7991 calls) g_psi : 0.42s CPU 0.40s WALL ( 7200 calls) cdiaghg : 75.66s CPU 76.69s WALL ( 7468 calls) cegterg:over : 10.78s CPU 10.94s WALL ( 7200 calls) cegterg:upda : 9.26s CPU 9.30s WALL ( 7200 calls) cegterg:last : 4.80s CPU 4.86s WALL ( 1327 calls) cdiaghg:chol : 4.24s CPU 4.37s WALL ( 7468 calls) cdiaghg:inve : 3.13s CPU 3.05s WALL ( 7468 calls) cdiaghg:para : 5.06s CPU 5.05s WALL ( 14936 calls) Called by h_psi: h_psi:vloc : 120.52s CPU 122.26s WALL ( 7991 calls) h_psi:vnl : 19.32s CPU 19.49s WALL ( 7991 calls) add_vuspsi : 10.13s CPU 10.12s WALL ( 7991 calls) General routines calbec : 9.16s CPU 9.35s WALL ( 7991 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 110.14s CPU 112.27s WALL ( 1060780 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.26s WALL ( 536 calls) Parallel routines fft_scatter : 37.54s CPU 38.29s WALL ( 1060803 calls) PWSCF : 4m35.20s CPU 4m49.24s WALL This run was terminated on: 13:33:22 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=