Program PWSCF v.5.4.0 starts on 12Feb2017 at 4: 0:19 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 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: ./GaN.save/ file Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group 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 22 12 3 822 328 55 Max 23 13 4 829 343 62 Sum 805 433 139 29695 12005 2093 bravais-lattice index = 14 lattice parameter (alat) = 6.0093 a.u. unit-cell volume = 305.3063 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.009329 celldm(2)= 1.000000 celldm(3)= 1.624528 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.624528 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.615563 ) PseudoPot. # 1 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ga read from file: /users/gautes/Pseudo/Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF MD5 check sum: a45069c11dc40ba088a6a50723da268c Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1205 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 N 5.00 14.00670 N( 1.00) Ga 13.00 69.72300 Ga( 1.00) 12 Sym. Ops. (no inversion) found ( 6 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8122642 ) isym = 3 60 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 3) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8122642 ) isym = 4 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 4) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8122642 ) isym = 5 120 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 0 1 0 ) ( -1 -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 = 6 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( -1 -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 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8122642 ) 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. 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 9) = ( -0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8122642 ) isym = 10 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8122642 ) 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 C_6v (6mm) there are 9 classes and 3 irreducible representations the character table: E -E 2C6 -2C6 2C3 -2C3 C2 3s_v 3s_d -C2 -3s_v -3s_d G_7 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 G_8 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 G_9 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C6 3 4 60 deg rotation - cryst. axis [0,0,1] -2C6 -3 -4 60 deg rotation - cryst. axis [0,0,1] E 2C3 5 6 120 deg rotation - cryst. axis [0,0,1] -2C3 -5 -6 120 deg rotation - cryst. axis [0,0,1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 7 -7 9 10 -10 -9 inv. 180 deg rotation - cart. axis [0,1,0] 3s_d-3s_d 8 -8 12 -11 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] Cartesian axes number of k points= 416 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024038 k( 2) = ( 0.0086207 0.0049772 -0.0000000), wk = 0.0024038 k( 3) = ( 0.0172414 0.0099543 -0.0000000), wk = 0.0024038 k( 4) = ( 0.0258621 0.0149315 -0.0000000), wk = 0.0024038 k( 5) = ( 0.0344828 0.0199086 -0.0000000), wk = 0.0024038 k( 6) = ( 0.0431035 0.0248858 -0.0000000), wk = 0.0024038 k( 7) = ( 0.0517241 0.0298629 -0.0000000), wk = 0.0024038 k( 8) = ( 0.0603448 0.0348401 -0.0000000), wk = 0.0024038 k( 9) = ( 0.0689655 0.0398173 -0.0000000), wk = 0.0024038 k( 10) = ( 0.0775862 0.0447944 -0.0000000), wk = 0.0024038 k( 11) = ( 0.0862069 0.0497716 -0.0000000), wk = 0.0024038 k( 12) = ( 0.0948276 0.0547487 -0.0000000), wk = 0.0024038 k( 13) = ( 0.1034483 0.0597259 -0.0000000), wk = 0.0024038 k( 14) = ( 0.1120690 0.0647030 -0.0000000), wk = 0.0024038 k( 15) = ( 0.1206897 0.0696802 -0.0000000), wk = 0.0024038 k( 16) = ( 0.1293103 0.0746574 -0.0000000), wk = 0.0024038 k( 17) = ( 0.1379310 0.0796345 -0.0000000), wk = 0.0024038 k( 18) = ( 0.1465517 0.0846117 -0.0000000), wk = 0.0024038 k( 19) = ( 0.1551724 0.0895888 -0.0000000), wk = 0.0024038 k( 20) = ( 0.1637931 0.0945660 -0.0000000), wk = 0.0024038 k( 21) = ( 0.1724138 0.0995431 -0.0000000), wk = 0.0024038 k( 22) = ( 0.1810345 0.1045203 -0.0000000), wk = 0.0024038 k( 23) = ( 0.1896552 0.1094975 -0.0000000), wk = 0.0024038 k( 24) = ( 0.1982759 0.1144746 -0.0000000), wk = 0.0024038 k( 25) = ( 0.2068966 0.1194518 -0.0000000), wk = 0.0024038 k( 26) = ( 0.2155172 0.1244289 -0.0000000), wk = 0.0024038 k( 27) = ( 0.2241379 0.1294061 -0.0000000), wk = 0.0024038 k( 28) = ( 0.2327586 0.1343833 -0.0000000), wk = 0.0024038 k( 29) = ( 0.2413793 0.1393604 -0.0000000), wk = 0.0024038 k( 30) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0024038 k( 31) = ( 0.2586207 0.1493147 -0.0000000), wk = 0.0024038 k( 32) = ( 0.2672414 0.1542919 -0.0000000), wk = 0.0024038 k( 33) = ( 0.2758621 0.1592690 -0.0000000), wk = 0.0024038 k( 34) = ( 0.2844828 0.1642462 -0.0000000), wk = 0.0024038 k( 35) = ( 0.2931034 0.1692234 -0.0000000), wk = 0.0024038 k( 36) = ( 0.3017241 0.1742005 -0.0000000), wk = 0.0024038 k( 37) = ( 0.3103448 0.1791777 -0.0000000), wk = 0.0024038 k( 38) = ( 0.3189655 0.1841548 -0.0000000), wk = 0.0024038 k( 39) = ( 0.3275862 0.1891320 -0.0000000), wk = 0.0024038 k( 40) = ( 0.3362069 0.1941091 -0.0000000), wk = 0.0024038 k( 41) = ( 0.3448276 0.1990863 -0.0000000), wk = 0.0024038 k( 42) = ( 0.3534483 0.2040635 -0.0000000), wk = 0.0024038 k( 43) = ( 0.3620690 0.2090406 -0.0000000), wk = 0.0024038 k( 44) = ( 0.3706897 0.2140178 -0.0000000), wk = 0.0024038 k( 45) = ( 0.3793103 0.2189949 -0.0000000), wk = 0.0024038 k( 46) = ( 0.3879310 0.2239721 -0.0000000), wk = 0.0024038 k( 47) = ( 0.3965517 0.2289492 -0.0000000), wk = 0.0024038 k( 48) = ( 0.4051724 0.2339264 -0.0000000), wk = 0.0024038 k( 49) = ( 0.4137931 0.2389036 -0.0000000), wk = 0.0024038 k( 50) = ( 0.4224138 0.2438807 -0.0000000), wk = 0.0024038 k( 51) = ( 0.4310345 0.2488579 -0.0000000), wk = 0.0024038 k( 52) = ( 0.4396552 0.2538350 -0.0000000), wk = 0.0024038 k( 53) = ( 0.4482759 0.2588122 -0.0000000), wk = 0.0024038 k( 54) = ( 0.4568966 0.2637893 -0.0000000), wk = 0.0024038 k( 55) = ( 0.4655172 0.2687665 -0.0000000), wk = 0.0024038 k( 56) = ( 0.4741379 0.2737437 -0.0000000), wk = 0.0024038 k( 57) = ( 0.4827586 0.2787208 -0.0000000), wk = 0.0024038 k( 58) = ( 0.4913793 0.2836980 -0.0000000), wk = 0.0024038 k( 59) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0024038 k( 60) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0024038 k( 61) = ( 0.4949495 0.2974229 -0.0000000), wk = 0.0024038 k( 62) = ( 0.4898990 0.3061706 -0.0000000), wk = 0.0024038 k( 63) = ( 0.4848485 0.3149183 -0.0000000), wk = 0.0024038 k( 64) = ( 0.4797980 0.3236661 -0.0000000), wk = 0.0024038 k( 65) = ( 0.4747475 0.3324138 -0.0000000), wk = 0.0024038 k( 66) = ( 0.4696970 0.3411615 -0.0000000), wk = 0.0024038 k( 67) = ( 0.4646465 0.3499093 -0.0000000), wk = 0.0024038 k( 68) = ( 0.4595960 0.3586570 -0.0000000), wk = 0.0024038 k( 69) = ( 0.4545455 0.3674047 -0.0000000), wk = 0.0024038 k( 70) = ( 0.4494950 0.3761524 -0.0000000), wk = 0.0024038 k( 71) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0024038 k( 72) = ( 0.4393939 0.3936479 -0.0000000), wk = 0.0024038 k( 73) = ( 0.4343434 0.4023956 -0.0000000), wk = 0.0024038 k( 74) = ( 0.4292929 0.4111434 -0.0000000), wk = 0.0024038 k( 75) = ( 0.4242424 0.4198911 -0.0000000), wk = 0.0024038 k( 76) = ( 0.4191919 0.4286388 -0.0000000), wk = 0.0024038 k( 77) = ( 0.4141414 0.4373866 -0.0000000), wk = 0.0024038 k( 78) = ( 0.4090909 0.4461343 -0.0000000), wk = 0.0024038 k( 79) = ( 0.4040404 0.4548820 -0.0000000), wk = 0.0024038 k( 80) = ( 0.3989899 0.4636298 -0.0000000), wk = 0.0024038 k( 81) = ( 0.3939394 0.4723775 -0.0000000), wk = 0.0024038 k( 82) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0024038 k( 83) = ( 0.3838384 0.4898730 -0.0000000), wk = 0.0024038 k( 84) = ( 0.3787879 0.4986207 -0.0000000), wk = 0.0024038 k( 85) = ( 0.3737374 0.5073684 -0.0000000), wk = 0.0024038 k( 86) = ( 0.3686869 0.5161161 -0.0000000), wk = 0.0024038 k( 87) = ( 0.3636364 0.5248639 -0.0000000), wk = 0.0024038 k( 88) = ( 0.3585859 0.5336116 -0.0000000), wk = 0.0024038 k( 89) = ( 0.3535354 0.5423593 -0.0000000), wk = 0.0024038 k( 90) = ( 0.3484849 0.5511071 -0.0000000), wk = 0.0024038 k( 91) = ( 0.3434343 0.5598548 -0.0000000), wk = 0.0024038 k( 92) = ( 0.3383838 0.5686025 -0.0000000), wk = 0.0024038 k( 93) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0024038 k( 94) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0024038 k( 95) = ( 0.3282828 0.5686025 -0.0000000), wk = 0.0024038 k( 96) = ( 0.3232323 0.5598548 -0.0000000), wk = 0.0024038 k( 97) = ( 0.3181818 0.5511071 -0.0000000), wk = 0.0024038 k( 98) = ( 0.3131313 0.5423593 -0.0000000), wk = 0.0024038 k( 99) = ( 0.3080808 0.5336116 -0.0000000), wk = 0.0024038 k( 100) = ( 0.3030303 0.5248639 -0.0000000), wk = 0.0024038 k( 101) = ( 0.2979798 0.5161162 -0.0000000), wk = 0.0024038 k( 102) = ( 0.2929293 0.5073684 -0.0000000), wk = 0.0024038 k( 103) = ( 0.2878788 0.4986207 -0.0000000), wk = 0.0024038 k( 104) = ( 0.2828283 0.4898730 -0.0000000), wk = 0.0024038 k( 105) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0024038 k( 106) = ( 0.2727273 0.4723775 -0.0000000), wk = 0.0024038 k( 107) = ( 0.2676768 0.4636298 -0.0000000), wk = 0.0024038 k( 108) = ( 0.2626263 0.4548820 -0.0000000), wk = 0.0024038 k( 109) = ( 0.2575758 0.4461343 -0.0000000), wk = 0.0024038 k( 110) = ( 0.2525252 0.4373866 -0.0000000), wk = 0.0024038 k( 111) = ( 0.2474747 0.4286388 -0.0000000), wk = 0.0024038 k( 112) = ( 0.2424242 0.4198911 -0.0000000), wk = 0.0024038 k( 113) = ( 0.2373737 0.4111434 -0.0000000), wk = 0.0024038 k( 114) = ( 0.2323232 0.4023956 -0.0000000), wk = 0.0024038 k( 115) = ( 0.2272727 0.3936479 -0.0000000), wk = 0.0024038 k( 116) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0024038 k( 117) = ( 0.2171717 0.3761525 -0.0000000), wk = 0.0024038 k( 118) = ( 0.2121212 0.3674047 -0.0000000), wk = 0.0024038 k( 119) = ( 0.2070707 0.3586570 -0.0000000), wk = 0.0024038 k( 120) = ( 0.2020202 0.3499093 -0.0000000), wk = 0.0024038 k( 121) = ( 0.1969697 0.3411615 -0.0000000), wk = 0.0024038 k( 122) = ( 0.1919192 0.3324138 -0.0000000), wk = 0.0024038 k( 123) = ( 0.1868687 0.3236661 -0.0000000), wk = 0.0024038 k( 124) = ( 0.1818182 0.3149183 -0.0000000), wk = 0.0024038 k( 125) = ( 0.1767677 0.3061706 -0.0000000), wk = 0.0024038 k( 126) = ( 0.1717172 0.2974229 -0.0000000), wk = 0.0024038 k( 127) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0024038 k( 128) = ( 0.1616162 0.2799274 -0.0000000), wk = 0.0024038 k( 129) = ( 0.1565657 0.2711797 -0.0000000), wk = 0.0024038 k( 130) = ( 0.1515151 0.2624319 -0.0000000), wk = 0.0024038 k( 131) = ( 0.1464647 0.2536842 -0.0000000), wk = 0.0024038 k( 132) = ( 0.1414141 0.2449365 -0.0000000), wk = 0.0024038 k( 133) = ( 0.1363636 0.2361888 -0.0000000), wk = 0.0024038 k( 134) = ( 0.1313131 0.2274410 -0.0000000), wk = 0.0024038 k( 135) = ( 0.1262626 0.2186933 -0.0000000), wk = 0.0024038 k( 136) = ( 0.1212121 0.2099456 -0.0000000), wk = 0.0024038 k( 137) = ( 0.1161616 0.2011978 -0.0000000), wk = 0.0024038 k( 138) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0024038 k( 139) = ( 0.1060606 0.1837024 -0.0000000), wk = 0.0024038 k( 140) = ( 0.1010101 0.1749546 -0.0000000), wk = 0.0024038 k( 141) = ( 0.0959596 0.1662069 -0.0000000), wk = 0.0024038 k( 142) = ( 0.0909091 0.1574592 -0.0000000), wk = 0.0024038 k( 143) = ( 0.0858586 0.1487114 -0.0000000), wk = 0.0024038 k( 144) = ( 0.0808081 0.1399637 -0.0000000), wk = 0.0024038 k( 145) = ( 0.0757576 0.1312160 -0.0000000), wk = 0.0024038 k( 146) = ( 0.0707071 0.1224682 -0.0000000), wk = 0.0024038 k( 147) = ( 0.0656566 0.1137205 -0.0000000), wk = 0.0024038 k( 148) = ( 0.0606061 0.1049728 -0.0000000), wk = 0.0024038 k( 149) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0024038 k( 150) = ( 0.0505051 0.0874773 -0.0000000), wk = 0.0024038 k( 151) = ( 0.0454546 0.0787296 -0.0000000), wk = 0.0024038 k( 152) = ( 0.0404040 0.0699819 -0.0000000), wk = 0.0024038 k( 153) = ( 0.0353535 0.0612341 -0.0000000), wk = 0.0024038 k( 154) = ( 0.0303030 0.0524864 -0.0000000), wk = 0.0024038 k( 155) = ( 0.0252525 0.0437387 -0.0000000), wk = 0.0024038 k( 156) = ( 0.0202020 0.0349909 -0.0000000), wk = 0.0024038 k( 157) = ( 0.0151515 0.0262432 -0.0000000), wk = 0.0024038 k( 158) = ( 0.0101010 0.0174955 -0.0000000), wk = 0.0024038 k( 159) = ( 0.0050505 0.0087477 -0.0000000), wk = 0.0024038 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024038 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024038 k( 162) = ( 0.0000000 0.0000000 0.0099284), wk = 0.0024038 k( 163) = ( 0.0000000 0.0000000 0.0198569), wk = 0.0024038 k( 164) = ( 0.0000000 0.0000000 0.0297853), wk = 0.0024038 k( 165) = ( 0.0000000 0.0000000 0.0397138), wk = 0.0024038 k( 166) = ( 0.0000000 0.0000000 0.0496422), wk = 0.0024038 k( 167) = ( 0.0000000 0.0000000 0.0595706), wk = 0.0024038 k( 168) = ( 0.0000000 0.0000000 0.0694991), wk = 0.0024038 k( 169) = ( 0.0000000 0.0000000 0.0794275), wk = 0.0024038 k( 170) = ( 0.0000000 0.0000000 0.0893560), wk = 0.0024038 k( 171) = ( 0.0000000 0.0000000 0.0992844), wk = 0.0024038 k( 172) = ( 0.0000000 0.0000000 0.1092128), wk = 0.0024038 k( 173) = ( 0.0000000 0.0000000 0.1191413), wk = 0.0024038 k( 174) = ( 0.0000000 0.0000000 0.1290697), wk = 0.0024038 k( 175) = ( 0.0000000 0.0000000 0.1389982), wk = 0.0024038 k( 176) = ( 0.0000000 0.0000000 0.1489266), wk = 0.0024038 k( 177) = ( 0.0000000 0.0000000 0.1588550), wk = 0.0024038 k( 178) = ( 0.0000000 0.0000000 0.1687835), wk = 0.0024038 k( 179) = ( 0.0000000 0.0000000 0.1787119), wk = 0.0024038 k( 180) = ( 0.0000000 0.0000000 0.1886404), wk = 0.0024038 k( 181) = ( 0.0000000 0.0000000 0.1985688), wk = 0.0024038 k( 182) = ( 0.0000000 0.0000000 0.2084972), wk = 0.0024038 k( 183) = ( 0.0000000 0.0000000 0.2184257), wk = 0.0024038 k( 184) = ( 0.0000000 0.0000000 0.2283541), wk = 0.0024038 k( 185) = ( 0.0000000 0.0000000 0.2382826), wk = 0.0024038 k( 186) = ( 0.0000000 0.0000000 0.2482110), wk = 0.0024038 k( 187) = ( 0.0000000 0.0000000 0.2581394), wk = 0.0024038 k( 188) = ( 0.0000000 0.0000000 0.2680679), wk = 0.0024038 k( 189) = ( 0.0000000 0.0000000 0.2779963), wk = 0.0024038 k( 190) = ( 0.0000000 0.0000000 0.2879248), wk = 0.0024038 k( 191) = ( 0.0000000 0.0000000 0.2978532), wk = 0.0024038 k( 192) = ( 0.0000000 0.0000000 0.3077816), wk = 0.0024038 k( 193) = ( 0.0000000 0.0000000 0.3077816), wk = 0.0024038 k( 194) = ( 0.0086207 0.0049772 0.3077816), wk = 0.0024038 k( 195) = ( 0.0172414 0.0099543 0.3077816), wk = 0.0024038 k( 196) = ( 0.0258621 0.0149315 0.3077816), wk = 0.0024038 k( 197) = ( 0.0344828 0.0199086 0.3077816), wk = 0.0024038 k( 198) = ( 0.0431035 0.0248858 0.3077816), wk = 0.0024038 k( 199) = ( 0.0517241 0.0298629 0.3077816), wk = 0.0024038 k( 200) = ( 0.0603448 0.0348401 0.3077816), wk = 0.0024038 k( 201) = ( 0.0689655 0.0398173 0.3077816), wk = 0.0024038 k( 202) = ( 0.0775862 0.0447944 0.3077816), wk = 0.0024038 k( 203) = ( 0.0862069 0.0497716 0.3077816), wk = 0.0024038 k( 204) = ( 0.0948276 0.0547487 0.3077816), wk = 0.0024038 k( 205) = ( 0.1034483 0.0597259 0.3077816), wk = 0.0024038 k( 206) = ( 0.1120690 0.0647030 0.3077816), wk = 0.0024038 k( 207) = ( 0.1206897 0.0696802 0.3077816), wk = 0.0024038 k( 208) = ( 0.1293103 0.0746574 0.3077816), wk = 0.0024038 k( 209) = ( 0.1379310 0.0796345 0.3077816), wk = 0.0024038 k( 210) = ( 0.1465517 0.0846117 0.3077816), wk = 0.0024038 k( 211) = ( 0.1551724 0.0895888 0.3077816), wk = 0.0024038 k( 212) = ( 0.1637931 0.0945660 0.3077816), wk = 0.0024038 k( 213) = ( 0.1724138 0.0995431 0.3077816), wk = 0.0024038 k( 214) = ( 0.1810345 0.1045203 0.3077816), wk = 0.0024038 k( 215) = ( 0.1896552 0.1094975 0.3077816), wk = 0.0024038 k( 216) = ( 0.1982759 0.1144746 0.3077816), wk = 0.0024038 k( 217) = ( 0.2068966 0.1194518 0.3077816), wk = 0.0024038 k( 218) = ( 0.2155172 0.1244289 0.3077816), wk = 0.0024038 k( 219) = ( 0.2241379 0.1294061 0.3077816), wk = 0.0024038 k( 220) = ( 0.2327586 0.1343833 0.3077816), wk = 0.0024038 k( 221) = ( 0.2413793 0.1393604 0.3077816), wk = 0.0024038 k( 222) = ( 0.2500000 0.1443376 0.3077816), wk = 0.0024038 k( 223) = ( 0.2586207 0.1493147 0.3077816), wk = 0.0024038 k( 224) = ( 0.2672414 0.1542919 0.3077816), wk = 0.0024038 k( 225) = ( 0.2758621 0.1592690 0.3077816), wk = 0.0024038 k( 226) = ( 0.2844828 0.1642462 0.3077816), wk = 0.0024038 k( 227) = ( 0.2931034 0.1692234 0.3077816), wk = 0.0024038 k( 228) = ( 0.3017241 0.1742005 0.3077816), wk = 0.0024038 k( 229) = ( 0.3103448 0.1791777 0.3077816), wk = 0.0024038 k( 230) = ( 0.3189655 0.1841548 0.3077816), wk = 0.0024038 k( 231) = ( 0.3275862 0.1891320 0.3077816), wk = 0.0024038 k( 232) = ( 0.3362069 0.1941091 0.3077816), wk = 0.0024038 k( 233) = ( 0.3448276 0.1990863 0.3077816), wk = 0.0024038 k( 234) = ( 0.3534483 0.2040635 0.3077816), wk = 0.0024038 k( 235) = ( 0.3620690 0.2090406 0.3077816), wk = 0.0024038 k( 236) = ( 0.3706897 0.2140178 0.3077816), wk = 0.0024038 k( 237) = ( 0.3793103 0.2189949 0.3077816), wk = 0.0024038 k( 238) = ( 0.3879310 0.2239721 0.3077816), wk = 0.0024038 k( 239) = ( 0.3965517 0.2289492 0.3077816), wk = 0.0024038 k( 240) = ( 0.4051724 0.2339264 0.3077816), wk = 0.0024038 k( 241) = ( 0.4137931 0.2389036 0.3077816), wk = 0.0024038 k( 242) = ( 0.4224138 0.2438807 0.3077816), wk = 0.0024038 k( 243) = ( 0.4310345 0.2488579 0.3077816), wk = 0.0024038 k( 244) = ( 0.4396552 0.2538350 0.3077816), wk = 0.0024038 k( 245) = ( 0.4482759 0.2588122 0.3077816), wk = 0.0024038 k( 246) = ( 0.4568966 0.2637893 0.3077816), wk = 0.0024038 k( 247) = ( 0.4655172 0.2687665 0.3077816), wk = 0.0024038 k( 248) = ( 0.4741379 0.2737437 0.3077816), wk = 0.0024038 k( 249) = ( 0.4827586 0.2787208 0.3077816), wk = 0.0024038 k( 250) = ( 0.4913793 0.2836980 0.3077816), wk = 0.0024038 k( 251) = ( 0.5000000 0.2886751 0.3077816), wk = 0.0024038 k( 252) = ( 0.5000000 0.2886751 0.3077816), wk = 0.0024038 k( 253) = ( 0.4949495 0.2974229 0.3077816), wk = 0.0024038 k( 254) = ( 0.4898990 0.3061706 0.3077816), wk = 0.0024038 k( 255) = ( 0.4848485 0.3149183 0.3077816), wk = 0.0024038 k( 256) = ( 0.4797980 0.3236661 0.3077816), wk = 0.0024038 k( 257) = ( 0.4747475 0.3324138 0.3077816), wk = 0.0024038 k( 258) = ( 0.4696970 0.3411615 0.3077816), wk = 0.0024038 k( 259) = ( 0.4646465 0.3499093 0.3077816), wk = 0.0024038 k( 260) = ( 0.4595960 0.3586570 0.3077816), wk = 0.0024038 k( 261) = ( 0.4545455 0.3674047 0.3077816), wk = 0.0024038 k( 262) = ( 0.4494950 0.3761524 0.3077816), wk = 0.0024038 k( 263) = ( 0.4444444 0.3849002 0.3077816), wk = 0.0024038 k( 264) = ( 0.4393939 0.3936479 0.3077816), wk = 0.0024038 k( 265) = ( 0.4343434 0.4023956 0.3077816), wk = 0.0024038 k( 266) = ( 0.4292929 0.4111434 0.3077816), wk = 0.0024038 k( 267) = ( 0.4242424 0.4198911 0.3077816), wk = 0.0024038 k( 268) = ( 0.4191919 0.4286388 0.3077816), wk = 0.0024038 k( 269) = ( 0.4141414 0.4373866 0.3077816), wk = 0.0024038 k( 270) = ( 0.4090909 0.4461343 0.3077816), wk = 0.0024038 k( 271) = ( 0.4040404 0.4548820 0.3077816), wk = 0.0024038 k( 272) = ( 0.3989899 0.4636298 0.3077816), wk = 0.0024038 k( 273) = ( 0.3939394 0.4723775 0.3077816), wk = 0.0024038 k( 274) = ( 0.3888889 0.4811252 0.3077816), wk = 0.0024038 k( 275) = ( 0.3838384 0.4898730 0.3077816), wk = 0.0024038 k( 276) = ( 0.3787879 0.4986207 0.3077816), wk = 0.0024038 k( 277) = ( 0.3737374 0.5073684 0.3077816), wk = 0.0024038 k( 278) = ( 0.3686869 0.5161161 0.3077816), wk = 0.0024038 k( 279) = ( 0.3636364 0.5248639 0.3077816), wk = 0.0024038 k( 280) = ( 0.3585859 0.5336116 0.3077816), wk = 0.0024038 k( 281) = ( 0.3535354 0.5423593 0.3077816), wk = 0.0024038 k( 282) = ( 0.3484849 0.5511071 0.3077816), wk = 0.0024038 k( 283) = ( 0.3434343 0.5598548 0.3077816), wk = 0.0024038 k( 284) = ( 0.3383838 0.5686025 0.3077816), wk = 0.0024038 k( 285) = ( 0.3333333 0.5773503 0.3077816), wk = 0.0024038 k( 286) = ( 0.3333333 0.5773503 0.3077816), wk = 0.0024038 k( 287) = ( 0.3282828 0.5686025 0.3077816), wk = 0.0024038 k( 288) = ( 0.3232323 0.5598548 0.3077816), wk = 0.0024038 k( 289) = ( 0.3181818 0.5511071 0.3077816), wk = 0.0024038 k( 290) = ( 0.3131313 0.5423593 0.3077816), wk = 0.0024038 k( 291) = ( 0.3080808 0.5336116 0.3077816), wk = 0.0024038 k( 292) = ( 0.3030303 0.5248639 0.3077816), wk = 0.0024038 k( 293) = ( 0.2979798 0.5161162 0.3077816), wk = 0.0024038 k( 294) = ( 0.2929293 0.5073684 0.3077816), wk = 0.0024038 k( 295) = ( 0.2878788 0.4986207 0.3077816), wk = 0.0024038 k( 296) = ( 0.2828283 0.4898730 0.3077816), wk = 0.0024038 k( 297) = ( 0.2777778 0.4811252 0.3077816), wk = 0.0024038 k( 298) = ( 0.2727273 0.4723775 0.3077816), wk = 0.0024038 k( 299) = ( 0.2676768 0.4636298 0.3077816), wk = 0.0024038 k( 300) = ( 0.2626263 0.4548820 0.3077816), wk = 0.0024038 k( 301) = ( 0.2575758 0.4461343 0.3077816), wk = 0.0024038 k( 302) = ( 0.2525252 0.4373866 0.3077816), wk = 0.0024038 k( 303) = ( 0.2474747 0.4286388 0.3077816), wk = 0.0024038 k( 304) = ( 0.2424242 0.4198911 0.3077816), wk = 0.0024038 k( 305) = ( 0.2373737 0.4111434 0.3077816), wk = 0.0024038 k( 306) = ( 0.2323232 0.4023956 0.3077816), wk = 0.0024038 k( 307) = ( 0.2272727 0.3936479 0.3077816), wk = 0.0024038 k( 308) = ( 0.2222222 0.3849002 0.3077816), wk = 0.0024038 k( 309) = ( 0.2171717 0.3761525 0.3077816), wk = 0.0024038 k( 310) = ( 0.2121212 0.3674047 0.3077816), wk = 0.0024038 k( 311) = ( 0.2070707 0.3586570 0.3077816), wk = 0.0024038 k( 312) = ( 0.2020202 0.3499093 0.3077816), wk = 0.0024038 k( 313) = ( 0.1969697 0.3411615 0.3077816), wk = 0.0024038 k( 314) = ( 0.1919192 0.3324138 0.3077816), wk = 0.0024038 k( 315) = ( 0.1868687 0.3236661 0.3077816), wk = 0.0024038 k( 316) = ( 0.1818182 0.3149183 0.3077816), wk = 0.0024038 k( 317) = ( 0.1767677 0.3061706 0.3077816), wk = 0.0024038 k( 318) = ( 0.1717172 0.2974229 0.3077816), wk = 0.0024038 k( 319) = ( 0.1666667 0.2886751 0.3077816), wk = 0.0024038 k( 320) = ( 0.1616162 0.2799274 0.3077816), wk = 0.0024038 k( 321) = ( 0.1565657 0.2711797 0.3077816), wk = 0.0024038 k( 322) = ( 0.1515151 0.2624319 0.3077816), wk = 0.0024038 k( 323) = ( 0.1464647 0.2536842 0.3077816), wk = 0.0024038 k( 324) = ( 0.1414141 0.2449365 0.3077816), wk = 0.0024038 k( 325) = ( 0.1363636 0.2361888 0.3077816), wk = 0.0024038 k( 326) = ( 0.1313131 0.2274410 0.3077816), wk = 0.0024038 k( 327) = ( 0.1262626 0.2186933 0.3077816), wk = 0.0024038 k( 328) = ( 0.1212121 0.2099456 0.3077816), wk = 0.0024038 k( 329) = ( 0.1161616 0.2011978 0.3077816), wk = 0.0024038 k( 330) = ( 0.1111111 0.1924501 0.3077816), wk = 0.0024038 k( 331) = ( 0.1060606 0.1837024 0.3077816), wk = 0.0024038 k( 332) = ( 0.1010101 0.1749546 0.3077816), wk = 0.0024038 k( 333) = ( 0.0959596 0.1662069 0.3077816), wk = 0.0024038 k( 334) = ( 0.0909091 0.1574592 0.3077816), wk = 0.0024038 k( 335) = ( 0.0858586 0.1487114 0.3077816), wk = 0.0024038 k( 336) = ( 0.0808081 0.1399637 0.3077816), wk = 0.0024038 k( 337) = ( 0.0757576 0.1312160 0.3077816), wk = 0.0024038 k( 338) = ( 0.0707071 0.1224682 0.3077816), wk = 0.0024038 k( 339) = ( 0.0656566 0.1137205 0.3077816), wk = 0.0024038 k( 340) = ( 0.0606061 0.1049728 0.3077816), wk = 0.0024038 k( 341) = ( 0.0555556 0.0962251 0.3077816), wk = 0.0024038 k( 342) = ( 0.0505051 0.0874773 0.3077816), wk = 0.0024038 k( 343) = ( 0.0454546 0.0787296 0.3077816), wk = 0.0024038 k( 344) = ( 0.0404040 0.0699819 0.3077816), wk = 0.0024038 k( 345) = ( 0.0353535 0.0612341 0.3077816), wk = 0.0024038 k( 346) = ( 0.0303030 0.0524864 0.3077816), wk = 0.0024038 k( 347) = ( 0.0252525 0.0437387 0.3077816), wk = 0.0024038 k( 348) = ( 0.0202020 0.0349909 0.3077816), wk = 0.0024038 k( 349) = ( 0.0151515 0.0262432 0.3077816), wk = 0.0024038 k( 350) = ( 0.0101010 0.0174955 0.3077816), wk = 0.0024038 k( 351) = ( 0.0050505 0.0087477 0.3077816), wk = 0.0024038 k( 352) = ( 0.0000000 0.0000000 0.3077816), wk = 0.0024038 k( 353) = ( 0.5000000 0.2886751 0.3077816), wk = 0.0024038 k( 354) = ( 0.5000000 0.2886751 0.2978532), wk = 0.0024038 k( 355) = ( 0.5000000 0.2886751 0.2879248), wk = 0.0024038 k( 356) = ( 0.5000000 0.2886751 0.2779963), wk = 0.0024038 k( 357) = ( 0.5000000 0.2886751 0.2680679), wk = 0.0024038 k( 358) = ( 0.5000000 0.2886751 0.2581394), wk = 0.0024038 k( 359) = ( 0.5000000 0.2886751 0.2482110), wk = 0.0024038 k( 360) = ( 0.5000000 0.2886751 0.2382826), wk = 0.0024038 k( 361) = ( 0.5000000 0.2886751 0.2283541), wk = 0.0024038 k( 362) = ( 0.5000000 0.2886751 0.2184257), wk = 0.0024038 k( 363) = ( 0.5000000 0.2886751 0.2084972), wk = 0.0024038 k( 364) = ( 0.5000000 0.2886751 0.1985688), wk = 0.0024038 k( 365) = ( 0.5000000 0.2886751 0.1886404), wk = 0.0024038 k( 366) = ( 0.5000000 0.2886751 0.1787119), wk = 0.0024038 k( 367) = ( 0.5000000 0.2886751 0.1687835), wk = 0.0024038 k( 368) = ( 0.5000000 0.2886751 0.1588550), wk = 0.0024038 k( 369) = ( 0.5000000 0.2886751 0.1489266), wk = 0.0024038 k( 370) = ( 0.5000000 0.2886751 0.1389982), wk = 0.0024038 k( 371) = ( 0.5000000 0.2886751 0.1290697), wk = 0.0024038 k( 372) = ( 0.5000000 0.2886751 0.1191413), wk = 0.0024038 k( 373) = ( 0.5000000 0.2886751 0.1092128), wk = 0.0024038 k( 374) = ( 0.5000000 0.2886751 0.0992844), wk = 0.0024038 k( 375) = ( 0.5000000 0.2886751 0.0893560), wk = 0.0024038 k( 376) = ( 0.5000000 0.2886751 0.0794275), wk = 0.0024038 k( 377) = ( 0.5000000 0.2886751 0.0694991), wk = 0.0024038 k( 378) = ( 0.5000000 0.2886751 0.0595706), wk = 0.0024038 k( 379) = ( 0.5000000 0.2886751 0.0496422), wk = 0.0024038 k( 380) = ( 0.5000000 0.2886751 0.0397138), wk = 0.0024038 k( 381) = ( 0.5000000 0.2886751 0.0297853), wk = 0.0024038 k( 382) = ( 0.5000000 0.2886751 0.0198569), wk = 0.0024038 k( 383) = ( 0.5000000 0.2886751 0.0099284), wk = 0.0024038 k( 384) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0024038 k( 385) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0024038 k( 386) = ( 0.3333333 0.5773503 0.0099284), wk = 0.0024038 k( 387) = ( 0.3333333 0.5773503 0.0198569), wk = 0.0024038 k( 388) = ( 0.3333333 0.5773503 0.0297853), wk = 0.0024038 k( 389) = ( 0.3333333 0.5773503 0.0397138), wk = 0.0024038 k( 390) = ( 0.3333333 0.5773503 0.0496422), wk = 0.0024038 k( 391) = ( 0.3333333 0.5773503 0.0595706), wk = 0.0024038 k( 392) = ( 0.3333333 0.5773503 0.0694991), wk = 0.0024038 k( 393) = ( 0.3333333 0.5773503 0.0794275), wk = 0.0024038 k( 394) = ( 0.3333333 0.5773503 0.0893560), wk = 0.0024038 k( 395) = ( 0.3333333 0.5773503 0.0992844), wk = 0.0024038 k( 396) = ( 0.3333333 0.5773503 0.1092128), wk = 0.0024038 k( 397) = ( 0.3333333 0.5773503 0.1191413), wk = 0.0024038 k( 398) = ( 0.3333333 0.5773503 0.1290697), wk = 0.0024038 k( 399) = ( 0.3333333 0.5773503 0.1389982), wk = 0.0024038 k( 400) = ( 0.3333333 0.5773503 0.1489266), wk = 0.0024038 k( 401) = ( 0.3333333 0.5773503 0.1588550), wk = 0.0024038 k( 402) = ( 0.3333333 0.5773503 0.1687835), wk = 0.0024038 k( 403) = ( 0.3333333 0.5773503 0.1787119), wk = 0.0024038 k( 404) = ( 0.3333333 0.5773503 0.1886404), wk = 0.0024038 k( 405) = ( 0.3333333 0.5773503 0.1985688), wk = 0.0024038 k( 406) = ( 0.3333333 0.5773503 0.2084972), wk = 0.0024038 k( 407) = ( 0.3333333 0.5773503 0.2184257), wk = 0.0024038 k( 408) = ( 0.3333333 0.5773503 0.2283541), wk = 0.0024038 k( 409) = ( 0.3333333 0.5773503 0.2382826), wk = 0.0024038 k( 410) = ( 0.3333333 0.5773503 0.2482110), wk = 0.0024038 k( 411) = ( 0.3333333 0.5773503 0.2581394), wk = 0.0024038 k( 412) = ( 0.3333333 0.5773503 0.2680679), wk = 0.0024038 k( 413) = ( 0.3333333 0.5773503 0.2779963), wk = 0.0024038 k( 414) = ( 0.3333333 0.5773503 0.2879248), wk = 0.0024038 k( 415) = ( 0.3333333 0.5773503 0.2978532), wk = 0.0024038 k( 416) = ( 0.3333333 0.5773503 0.3077816), wk = 0.0024038 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024038 k( 2) = ( 0.0086207 0.0000000 -0.0000000), wk = 0.0024038 k( 3) = ( 0.0172414 0.0000000 -0.0000000), wk = 0.0024038 k( 4) = ( 0.0258621 0.0000000 -0.0000000), wk = 0.0024038 k( 5) = ( 0.0344828 0.0000000 -0.0000000), wk = 0.0024038 k( 6) = ( 0.0431035 0.0000000 -0.0000000), wk = 0.0024038 k( 7) = ( 0.0517241 0.0000000 -0.0000000), wk = 0.0024038 k( 8) = ( 0.0603448 0.0000000 -0.0000000), wk = 0.0024038 k( 9) = ( 0.0689655 0.0000000 -0.0000000), wk = 0.0024038 k( 10) = ( 0.0775862 0.0000000 -0.0000000), wk = 0.0024038 k( 11) = ( 0.0862069 0.0000000 -0.0000000), wk = 0.0024038 k( 12) = ( 0.0948276 0.0000000 -0.0000000), wk = 0.0024038 k( 13) = ( 0.1034483 0.0000000 -0.0000000), wk = 0.0024038 k( 14) = ( 0.1120690 0.0000000 -0.0000000), wk = 0.0024038 k( 15) = ( 0.1206897 0.0000000 -0.0000000), wk = 0.0024038 k( 16) = ( 0.1293103 0.0000000 -0.0000000), wk = 0.0024038 k( 17) = ( 0.1379310 0.0000000 -0.0000000), wk = 0.0024038 k( 18) = ( 0.1465517 0.0000000 -0.0000000), wk = 0.0024038 k( 19) = ( 0.1551724 0.0000000 -0.0000000), wk = 0.0024038 k( 20) = ( 0.1637931 0.0000000 -0.0000000), wk = 0.0024038 k( 21) = ( 0.1724138 0.0000000 -0.0000000), wk = 0.0024038 k( 22) = ( 0.1810345 0.0000000 -0.0000000), wk = 0.0024038 k( 23) = ( 0.1896552 0.0000000 -0.0000000), wk = 0.0024038 k( 24) = ( 0.1982759 0.0000000 -0.0000000), wk = 0.0024038 k( 25) = ( 0.2068966 0.0000000 0.0000000), wk = 0.0024038 k( 26) = ( 0.2155172 0.0000000 -0.0000000), wk = 0.0024038 k( 27) = ( 0.2241379 0.0000000 -0.0000000), wk = 0.0024038 k( 28) = ( 0.2327586 0.0000000 -0.0000000), wk = 0.0024038 k( 29) = ( 0.2413793 0.0000000 -0.0000000), wk = 0.0024038 k( 30) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0024038 k( 31) = ( 0.2586207 0.0000000 -0.0000000), wk = 0.0024038 k( 32) = ( 0.2672414 0.0000000 -0.0000000), wk = 0.0024038 k( 33) = ( 0.2758621 0.0000000 -0.0000000), wk = 0.0024038 k( 34) = ( 0.2844828 0.0000000 -0.0000000), wk = 0.0024038 k( 35) = ( 0.2931034 0.0000000 -0.0000000), wk = 0.0024038 k( 36) = ( 0.3017241 0.0000000 -0.0000000), wk = 0.0024038 k( 37) = ( 0.3103448 0.0000000 -0.0000000), wk = 0.0024038 k( 38) = ( 0.3189655 0.0000000 -0.0000000), wk = 0.0024038 k( 39) = ( 0.3275862 0.0000000 -0.0000000), wk = 0.0024038 k( 40) = ( 0.3362069 0.0000000 -0.0000000), wk = 0.0024038 k( 41) = ( 0.3448276 0.0000000 -0.0000000), wk = 0.0024038 k( 42) = ( 0.3534483 0.0000000 -0.0000000), wk = 0.0024038 k( 43) = ( 0.3620690 0.0000000 -0.0000000), wk = 0.0024038 k( 44) = ( 0.3706897 0.0000000 0.0000000), wk = 0.0024038 k( 45) = ( 0.3793103 0.0000000 -0.0000000), wk = 0.0024038 k( 46) = ( 0.3879310 0.0000000 -0.0000000), wk = 0.0024038 k( 47) = ( 0.3965517 0.0000000 -0.0000000), wk = 0.0024038 k( 48) = ( 0.4051724 0.0000000 0.0000000), wk = 0.0024038 k( 49) = ( 0.4137931 0.0000000 0.0000000), wk = 0.0024038 k( 50) = ( 0.4224138 0.0000000 -0.0000000), wk = 0.0024038 k( 51) = ( 0.4310345 0.0000000 -0.0000000), wk = 0.0024038 k( 52) = ( 0.4396552 0.0000000 -0.0000000), wk = 0.0024038 k( 53) = ( 0.4482759 0.0000000 -0.0000000), wk = 0.0024038 k( 54) = ( 0.4568966 0.0000000 -0.0000000), wk = 0.0024038 k( 55) = ( 0.4655172 0.0000000 -0.0000000), wk = 0.0024038 k( 56) = ( 0.4741379 0.0000000 -0.0000000), wk = 0.0024038 k( 57) = ( 0.4827586 0.0000000 -0.0000000), wk = 0.0024038 k( 58) = ( 0.4913793 0.0000000 -0.0000000), wk = 0.0024038 k( 59) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024038 k( 60) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024038 k( 61) = ( 0.4949495 0.0101010 -0.0000000), wk = 0.0024038 k( 62) = ( 0.4898990 0.0202020 -0.0000000), wk = 0.0024038 k( 63) = ( 0.4848485 0.0303030 -0.0000000), wk = 0.0024038 k( 64) = ( 0.4797980 0.0404040 -0.0000000), wk = 0.0024038 k( 65) = ( 0.4747475 0.0505051 -0.0000000), wk = 0.0024038 k( 66) = ( 0.4696970 0.0606061 -0.0000000), wk = 0.0024038 k( 67) = ( 0.4646465 0.0707071 -0.0000000), wk = 0.0024038 k( 68) = ( 0.4595960 0.0808081 0.0000000), wk = 0.0024038 k( 69) = ( 0.4545455 0.0909091 -0.0000000), wk = 0.0024038 k( 70) = ( 0.4494950 0.1010101 -0.0000000), wk = 0.0024038 k( 71) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0024038 k( 72) = ( 0.4393939 0.1212121 -0.0000000), wk = 0.0024038 k( 73) = ( 0.4343434 0.1313131 -0.0000000), wk = 0.0024038 k( 74) = ( 0.4292929 0.1414141 -0.0000000), wk = 0.0024038 k( 75) = ( 0.4242424 0.1515152 -0.0000000), wk = 0.0024038 k( 76) = ( 0.4191919 0.1616162 -0.0000000), wk = 0.0024038 k( 77) = ( 0.4141414 0.1717172 -0.0000000), wk = 0.0024038 k( 78) = ( 0.4090909 0.1818182 -0.0000000), wk = 0.0024038 k( 79) = ( 0.4040404 0.1919192 -0.0000000), wk = 0.0024038 k( 80) = ( 0.3989899 0.2020202 0.0000000), wk = 0.0024038 k( 81) = ( 0.3939394 0.2121212 0.0000000), wk = 0.0024038 k( 82) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0024038 k( 83) = ( 0.3838384 0.2323232 -0.0000000), wk = 0.0024038 k( 84) = ( 0.3787879 0.2424242 -0.0000000), wk = 0.0024038 k( 85) = ( 0.3737374 0.2525253 -0.0000000), wk = 0.0024038 k( 86) = ( 0.3686869 0.2626263 -0.0000000), wk = 0.0024038 k( 87) = ( 0.3636364 0.2727273 -0.0000000), wk = 0.0024038 k( 88) = ( 0.3585859 0.2828283 -0.0000000), wk = 0.0024038 k( 89) = ( 0.3535354 0.2929293 -0.0000000), wk = 0.0024038 k( 90) = ( 0.3484849 0.3030303 -0.0000000), wk = 0.0024038 k( 91) = ( 0.3434343 0.3131313 -0.0000000), wk = 0.0024038 k( 92) = ( 0.3383838 0.3232323 -0.0000000), wk = 0.0024038 k( 93) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0024038 k( 94) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0024038 k( 95) = ( 0.3282828 0.3282828 -0.0000000), wk = 0.0024038 k( 96) = ( 0.3232323 0.3232323 -0.0000000), wk = 0.0024038 k( 97) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0024038 k( 98) = ( 0.3131313 0.3131313 -0.0000000), wk = 0.0024038 k( 99) = ( 0.3080808 0.3080808 -0.0000000), wk = 0.0024038 k( 100) = ( 0.3030303 0.3030303 -0.0000000), wk = 0.0024038 k( 101) = ( 0.2979798 0.2979798 -0.0000000), wk = 0.0024038 k( 102) = ( 0.2929293 0.2929293 -0.0000000), wk = 0.0024038 k( 103) = ( 0.2878788 0.2878788 -0.0000000), wk = 0.0024038 k( 104) = ( 0.2828283 0.2828283 -0.0000000), wk = 0.0024038 k( 105) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0024038 k( 106) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0024038 k( 107) = ( 0.2676768 0.2676768 -0.0000000), wk = 0.0024038 k( 108) = ( 0.2626263 0.2626263 -0.0000000), wk = 0.0024038 k( 109) = ( 0.2575758 0.2575758 -0.0000000), wk = 0.0024038 k( 110) = ( 0.2525252 0.2525252 -0.0000000), wk = 0.0024038 k( 111) = ( 0.2474747 0.2474747 -0.0000000), wk = 0.0024038 k( 112) = ( 0.2424242 0.2424242 -0.0000000), wk = 0.0024038 k( 113) = ( 0.2373737 0.2373737 -0.0000000), wk = 0.0024038 k( 114) = ( 0.2323232 0.2323232 -0.0000000), wk = 0.0024038 k( 115) = ( 0.2272727 0.2272727 -0.0000000), wk = 0.0024038 k( 116) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0024038 k( 117) = ( 0.2171717 0.2171717 -0.0000000), wk = 0.0024038 k( 118) = ( 0.2121212 0.2121212 -0.0000000), wk = 0.0024038 k( 119) = ( 0.2070707 0.2070707 -0.0000000), wk = 0.0024038 k( 120) = ( 0.2020202 0.2020202 -0.0000000), wk = 0.0024038 k( 121) = ( 0.1969697 0.1969697 -0.0000000), wk = 0.0024038 k( 122) = ( 0.1919192 0.1919192 -0.0000000), wk = 0.0024038 k( 123) = ( 0.1868687 0.1868687 -0.0000000), wk = 0.0024038 k( 124) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0024038 k( 125) = ( 0.1767677 0.1767677 -0.0000000), wk = 0.0024038 k( 126) = ( 0.1717172 0.1717172 -0.0000000), wk = 0.0024038 k( 127) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0024038 k( 128) = ( 0.1616162 0.1616162 -0.0000000), wk = 0.0024038 k( 129) = ( 0.1565657 0.1565657 0.0000000), wk = 0.0024038 k( 130) = ( 0.1515151 0.1515151 -0.0000000), wk = 0.0024038 k( 131) = ( 0.1464647 0.1464647 -0.0000000), wk = 0.0024038 k( 132) = ( 0.1414141 0.1414141 -0.0000000), wk = 0.0024038 k( 133) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0024038 k( 134) = ( 0.1313131 0.1313131 -0.0000000), wk = 0.0024038 k( 135) = ( 0.1262626 0.1262626 -0.0000000), wk = 0.0024038 k( 136) = ( 0.1212121 0.1212121 -0.0000000), wk = 0.0024038 k( 137) = ( 0.1161616 0.1161616 -0.0000000), wk = 0.0024038 k( 138) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0024038 k( 139) = ( 0.1060606 0.1060606 -0.0000000), wk = 0.0024038 k( 140) = ( 0.1010101 0.1010101 -0.0000000), wk = 0.0024038 k( 141) = ( 0.0959596 0.0959596 -0.0000000), wk = 0.0024038 k( 142) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0024038 k( 143) = ( 0.0858586 0.0858586 -0.0000000), wk = 0.0024038 k( 144) = ( 0.0808081 0.0808081 -0.0000000), wk = 0.0024038 k( 145) = ( 0.0757576 0.0757576 -0.0000000), wk = 0.0024038 k( 146) = ( 0.0707071 0.0707071 -0.0000000), wk = 0.0024038 k( 147) = ( 0.0656566 0.0656566 -0.0000000), wk = 0.0024038 k( 148) = ( 0.0606061 0.0606061 -0.0000000), wk = 0.0024038 k( 149) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0024038 k( 150) = ( 0.0505051 0.0505051 -0.0000000), wk = 0.0024038 k( 151) = ( 0.0454546 0.0454546 -0.0000000), wk = 0.0024038 k( 152) = ( 0.0404040 0.0404040 -0.0000000), wk = 0.0024038 k( 153) = ( 0.0353535 0.0353535 -0.0000000), wk = 0.0024038 k( 154) = ( 0.0303030 0.0303030 -0.0000000), wk = 0.0024038 k( 155) = ( 0.0252525 0.0252525 0.0000000), wk = 0.0024038 k( 156) = ( 0.0202020 0.0202020 -0.0000000), wk = 0.0024038 k( 157) = ( 0.0151515 0.0151515 -0.0000000), wk = 0.0024038 k( 158) = ( 0.0101010 0.0101010 -0.0000000), wk = 0.0024038 k( 159) = ( 0.0050505 0.0050505 -0.0000000), wk = 0.0024038 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024038 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024038 k( 162) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0024038 k( 163) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0024038 k( 164) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0024038 k( 165) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0024038 k( 166) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0024038 k( 167) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0024038 k( 168) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0024038 k( 169) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0024038 k( 170) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0024038 k( 171) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0024038 k( 172) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0024038 k( 173) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0024038 k( 174) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0024038 k( 175) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0024038 k( 176) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0024038 k( 177) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0024038 k( 178) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0024038 k( 179) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0024038 k( 180) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0024038 k( 181) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0024038 k( 182) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0024038 k( 183) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0024038 k( 184) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0024038 k( 185) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0024038 k( 186) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0024038 k( 187) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0024038 k( 188) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0024038 k( 189) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0024038 k( 190) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0024038 k( 191) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0024038 k( 192) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024038 k( 193) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024038 k( 194) = ( 0.0086207 0.0000000 0.5000000), wk = 0.0024038 k( 195) = ( 0.0172414 0.0000000 0.5000000), wk = 0.0024038 k( 196) = ( 0.0258621 0.0000000 0.5000000), wk = 0.0024038 k( 197) = ( 0.0344828 0.0000000 0.5000000), wk = 0.0024038 k( 198) = ( 0.0431035 0.0000000 0.5000000), wk = 0.0024038 k( 199) = ( 0.0517241 0.0000000 0.5000000), wk = 0.0024038 k( 200) = ( 0.0603448 0.0000000 0.5000000), wk = 0.0024038 k( 201) = ( 0.0689655 0.0000000 0.5000000), wk = 0.0024038 k( 202) = ( 0.0775862 0.0000000 0.5000000), wk = 0.0024038 k( 203) = ( 0.0862069 0.0000000 0.5000000), wk = 0.0024038 k( 204) = ( 0.0948276 0.0000000 0.5000000), wk = 0.0024038 k( 205) = ( 0.1034483 0.0000000 0.5000000), wk = 0.0024038 k( 206) = ( 0.1120690 0.0000000 0.5000000), wk = 0.0024038 k( 207) = ( 0.1206897 0.0000000 0.5000000), wk = 0.0024038 k( 208) = ( 0.1293103 0.0000000 0.5000000), wk = 0.0024038 k( 209) = ( 0.1379310 0.0000000 0.5000000), wk = 0.0024038 k( 210) = ( 0.1465517 0.0000000 0.5000000), wk = 0.0024038 k( 211) = ( 0.1551724 0.0000000 0.5000000), wk = 0.0024038 k( 212) = ( 0.1637931 0.0000000 0.5000000), wk = 0.0024038 k( 213) = ( 0.1724138 0.0000000 0.5000000), wk = 0.0024038 k( 214) = ( 0.1810345 0.0000000 0.5000000), wk = 0.0024038 k( 215) = ( 0.1896552 0.0000000 0.5000000), wk = 0.0024038 k( 216) = ( 0.1982759 0.0000000 0.5000000), wk = 0.0024038 k( 217) = ( 0.2068966 0.0000000 0.5000000), wk = 0.0024038 k( 218) = ( 0.2155172 0.0000000 0.5000000), wk = 0.0024038 k( 219) = ( 0.2241379 0.0000000 0.5000000), wk = 0.0024038 k( 220) = ( 0.2327586 0.0000000 0.5000000), wk = 0.0024038 k( 221) = ( 0.2413793 0.0000000 0.5000000), wk = 0.0024038 k( 222) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0024038 k( 223) = ( 0.2586207 0.0000000 0.5000000), wk = 0.0024038 k( 224) = ( 0.2672414 0.0000000 0.5000000), wk = 0.0024038 k( 225) = ( 0.2758621 0.0000000 0.5000000), wk = 0.0024038 k( 226) = ( 0.2844828 0.0000000 0.5000000), wk = 0.0024038 k( 227) = ( 0.2931034 0.0000000 0.5000000), wk = 0.0024038 k( 228) = ( 0.3017241 0.0000000 0.5000000), wk = 0.0024038 k( 229) = ( 0.3103448 0.0000000 0.5000000), wk = 0.0024038 k( 230) = ( 0.3189655 0.0000000 0.5000000), wk = 0.0024038 k( 231) = ( 0.3275862 0.0000000 0.5000000), wk = 0.0024038 k( 232) = ( 0.3362069 0.0000000 0.5000000), wk = 0.0024038 k( 233) = ( 0.3448276 0.0000000 0.5000000), wk = 0.0024038 k( 234) = ( 0.3534483 0.0000000 0.5000000), wk = 0.0024038 k( 235) = ( 0.3620690 0.0000000 0.5000000), wk = 0.0024038 k( 236) = ( 0.3706897 0.0000000 0.5000000), wk = 0.0024038 k( 237) = ( 0.3793103 0.0000000 0.5000000), wk = 0.0024038 k( 238) = ( 0.3879310 0.0000000 0.5000000), wk = 0.0024038 k( 239) = ( 0.3965517 0.0000000 0.5000000), wk = 0.0024038 k( 240) = ( 0.4051724 0.0000000 0.5000000), wk = 0.0024038 k( 241) = ( 0.4137931 0.0000000 0.5000000), wk = 0.0024038 k( 242) = ( 0.4224138 0.0000000 0.5000000), wk = 0.0024038 k( 243) = ( 0.4310345 0.0000000 0.5000000), wk = 0.0024038 k( 244) = ( 0.4396552 0.0000000 0.5000000), wk = 0.0024038 k( 245) = ( 0.4482759 0.0000000 0.5000000), wk = 0.0024038 k( 246) = ( 0.4568966 0.0000000 0.5000000), wk = 0.0024038 k( 247) = ( 0.4655172 0.0000000 0.5000000), wk = 0.0024038 k( 248) = ( 0.4741379 0.0000000 0.5000000), wk = 0.0024038 k( 249) = ( 0.4827586 0.0000000 0.5000000), wk = 0.0024038 k( 250) = ( 0.4913793 0.0000000 0.5000000), wk = 0.0024038 k( 251) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024038 k( 252) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024038 k( 253) = ( 0.4949495 0.0101010 0.5000000), wk = 0.0024038 k( 254) = ( 0.4898990 0.0202020 0.5000000), wk = 0.0024038 k( 255) = ( 0.4848485 0.0303030 0.5000000), wk = 0.0024038 k( 256) = ( 0.4797980 0.0404040 0.5000000), wk = 0.0024038 k( 257) = ( 0.4747475 0.0505051 0.5000000), wk = 0.0024038 k( 258) = ( 0.4696970 0.0606061 0.5000000), wk = 0.0024038 k( 259) = ( 0.4646465 0.0707071 0.5000000), wk = 0.0024038 k( 260) = ( 0.4595960 0.0808081 0.5000000), wk = 0.0024038 k( 261) = ( 0.4545455 0.0909091 0.5000000), wk = 0.0024038 k( 262) = ( 0.4494950 0.1010101 0.5000000), wk = 0.0024038 k( 263) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0024038 k( 264) = ( 0.4393939 0.1212121 0.5000000), wk = 0.0024038 k( 265) = ( 0.4343434 0.1313131 0.5000000), wk = 0.0024038 k( 266) = ( 0.4292929 0.1414141 0.5000000), wk = 0.0024038 k( 267) = ( 0.4242424 0.1515152 0.5000000), wk = 0.0024038 k( 268) = ( 0.4191919 0.1616162 0.5000000), wk = 0.0024038 k( 269) = ( 0.4141414 0.1717172 0.5000000), wk = 0.0024038 k( 270) = ( 0.4090909 0.1818182 0.5000000), wk = 0.0024038 k( 271) = ( 0.4040404 0.1919192 0.5000000), wk = 0.0024038 k( 272) = ( 0.3989899 0.2020202 0.5000000), wk = 0.0024038 k( 273) = ( 0.3939394 0.2121212 0.5000000), wk = 0.0024038 k( 274) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0024038 k( 275) = ( 0.3838384 0.2323232 0.5000000), wk = 0.0024038 k( 276) = ( 0.3787879 0.2424242 0.5000000), wk = 0.0024038 k( 277) = ( 0.3737374 0.2525253 0.5000000), wk = 0.0024038 k( 278) = ( 0.3686869 0.2626263 0.5000000), wk = 0.0024038 k( 279) = ( 0.3636364 0.2727273 0.5000000), wk = 0.0024038 k( 280) = ( 0.3585859 0.2828283 0.5000000), wk = 0.0024038 k( 281) = ( 0.3535354 0.2929293 0.5000000), wk = 0.0024038 k( 282) = ( 0.3484849 0.3030303 0.5000000), wk = 0.0024038 k( 283) = ( 0.3434343 0.3131313 0.5000000), wk = 0.0024038 k( 284) = ( 0.3383838 0.3232323 0.5000000), wk = 0.0024038 k( 285) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0024038 k( 286) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0024038 k( 287) = ( 0.3282828 0.3282828 0.5000000), wk = 0.0024038 k( 288) = ( 0.3232323 0.3232323 0.5000000), wk = 0.0024038 k( 289) = ( 0.3181818 0.3181818 0.5000000), wk = 0.0024038 k( 290) = ( 0.3131313 0.3131313 0.5000000), wk = 0.0024038 k( 291) = ( 0.3080808 0.3080808 0.5000000), wk = 0.0024038 k( 292) = ( 0.3030303 0.3030303 0.5000000), wk = 0.0024038 k( 293) = ( 0.2979798 0.2979798 0.5000000), wk = 0.0024038 k( 294) = ( 0.2929293 0.2929293 0.5000000), wk = 0.0024038 k( 295) = ( 0.2878788 0.2878788 0.5000000), wk = 0.0024038 k( 296) = ( 0.2828283 0.2828283 0.5000000), wk = 0.0024038 k( 297) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0024038 k( 298) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0024038 k( 299) = ( 0.2676768 0.2676768 0.5000000), wk = 0.0024038 k( 300) = ( 0.2626263 0.2626263 0.5000000), wk = 0.0024038 k( 301) = ( 0.2575758 0.2575758 0.5000000), wk = 0.0024038 k( 302) = ( 0.2525252 0.2525252 0.5000000), wk = 0.0024038 k( 303) = ( 0.2474747 0.2474747 0.5000000), wk = 0.0024038 k( 304) = ( 0.2424242 0.2424242 0.5000000), wk = 0.0024038 k( 305) = ( 0.2373737 0.2373737 0.5000000), wk = 0.0024038 k( 306) = ( 0.2323232 0.2323232 0.5000000), wk = 0.0024038 k( 307) = ( 0.2272727 0.2272727 0.5000000), wk = 0.0024038 k( 308) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0024038 k( 309) = ( 0.2171717 0.2171717 0.5000000), wk = 0.0024038 k( 310) = ( 0.2121212 0.2121212 0.5000000), wk = 0.0024038 k( 311) = ( 0.2070707 0.2070707 0.5000000), wk = 0.0024038 k( 312) = ( 0.2020202 0.2020202 0.5000000), wk = 0.0024038 k( 313) = ( 0.1969697 0.1969697 0.5000000), wk = 0.0024038 k( 314) = ( 0.1919192 0.1919192 0.5000000), wk = 0.0024038 k( 315) = ( 0.1868687 0.1868687 0.5000000), wk = 0.0024038 k( 316) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0024038 k( 317) = ( 0.1767677 0.1767677 0.5000000), wk = 0.0024038 k( 318) = ( 0.1717172 0.1717172 0.5000000), wk = 0.0024038 k( 319) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0024038 k( 320) = ( 0.1616162 0.1616162 0.5000000), wk = 0.0024038 k( 321) = ( 0.1565657 0.1565657 0.5000000), wk = 0.0024038 k( 322) = ( 0.1515151 0.1515151 0.5000000), wk = 0.0024038 k( 323) = ( 0.1464647 0.1464647 0.5000000), wk = 0.0024038 k( 324) = ( 0.1414141 0.1414141 0.5000000), wk = 0.0024038 k( 325) = ( 0.1363636 0.1363636 0.5000000), wk = 0.0024038 k( 326) = ( 0.1313131 0.1313131 0.5000000), wk = 0.0024038 k( 327) = ( 0.1262626 0.1262626 0.5000000), wk = 0.0024038 k( 328) = ( 0.1212121 0.1212121 0.5000000), wk = 0.0024038 k( 329) = ( 0.1161616 0.1161616 0.5000000), wk = 0.0024038 k( 330) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0024038 k( 331) = ( 0.1060606 0.1060606 0.5000000), wk = 0.0024038 k( 332) = ( 0.1010101 0.1010101 0.5000000), wk = 0.0024038 k( 333) = ( 0.0959596 0.0959596 0.5000000), wk = 0.0024038 k( 334) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0024038 k( 335) = ( 0.0858586 0.0858586 0.5000000), wk = 0.0024038 k( 336) = ( 0.0808081 0.0808081 0.5000000), wk = 0.0024038 k( 337) = ( 0.0757576 0.0757576 0.5000000), wk = 0.0024038 k( 338) = ( 0.0707071 0.0707071 0.5000000), wk = 0.0024038 k( 339) = ( 0.0656566 0.0656566 0.5000000), wk = 0.0024038 k( 340) = ( 0.0606061 0.0606061 0.5000000), wk = 0.0024038 k( 341) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0024038 k( 342) = ( 0.0505051 0.0505051 0.5000000), wk = 0.0024038 k( 343) = ( 0.0454546 0.0454546 0.5000000), wk = 0.0024038 k( 344) = ( 0.0404040 0.0404040 0.5000000), wk = 0.0024038 k( 345) = ( 0.0353535 0.0353535 0.5000000), wk = 0.0024038 k( 346) = ( 0.0303030 0.0303030 0.5000000), wk = 0.0024038 k( 347) = ( 0.0252525 0.0252525 0.5000000), wk = 0.0024038 k( 348) = ( 0.0202020 0.0202020 0.5000000), wk = 0.0024038 k( 349) = ( 0.0151515 0.0151515 0.5000000), wk = 0.0024038 k( 350) = ( 0.0101010 0.0101010 0.5000000), wk = 0.0024038 k( 351) = ( 0.0050505 0.0050505 0.5000000), wk = 0.0024038 k( 352) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024038 k( 353) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024038 k( 354) = ( 0.5000000 0.0000000 0.4838710), wk = 0.0024038 k( 355) = ( 0.5000000 0.0000000 0.4677419), wk = 0.0024038 k( 356) = ( 0.5000000 0.0000000 0.4516129), wk = 0.0024038 k( 357) = ( 0.5000000 0.0000000 0.4354839), wk = 0.0024038 k( 358) = ( 0.5000000 0.0000000 0.4193548), wk = 0.0024038 k( 359) = ( 0.5000000 0.0000000 0.4032258), wk = 0.0024038 k( 360) = ( 0.5000000 0.0000000 0.3870968), wk = 0.0024038 k( 361) = ( 0.5000000 0.0000000 0.3709677), wk = 0.0024038 k( 362) = ( 0.5000000 0.0000000 0.3548387), wk = 0.0024038 k( 363) = ( 0.5000000 0.0000000 0.3387097), wk = 0.0024038 k( 364) = ( 0.5000000 0.0000000 0.3225807), wk = 0.0024038 k( 365) = ( 0.5000000 0.0000000 0.3064516), wk = 0.0024038 k( 366) = ( 0.5000000 0.0000000 0.2903226), wk = 0.0024038 k( 367) = ( 0.5000000 0.0000000 0.2741936), wk = 0.0024038 k( 368) = ( 0.5000000 0.0000000 0.2580645), wk = 0.0024038 k( 369) = ( 0.5000000 0.0000000 0.2419355), wk = 0.0024038 k( 370) = ( 0.5000000 0.0000000 0.2258064), wk = 0.0024038 k( 371) = ( 0.5000000 0.0000000 0.2096774), wk = 0.0024038 k( 372) = ( 0.5000000 0.0000000 0.1935484), wk = 0.0024038 k( 373) = ( 0.5000000 0.0000000 0.1774194), wk = 0.0024038 k( 374) = ( 0.5000000 0.0000000 0.1612903), wk = 0.0024038 k( 375) = ( 0.5000000 0.0000000 0.1451613), wk = 0.0024038 k( 376) = ( 0.5000000 0.0000000 0.1290323), wk = 0.0024038 k( 377) = ( 0.5000000 0.0000000 0.1129032), wk = 0.0024038 k( 378) = ( 0.5000000 0.0000000 0.0967742), wk = 0.0024038 k( 379) = ( 0.5000000 0.0000000 0.0806452), wk = 0.0024038 k( 380) = ( 0.5000000 0.0000000 0.0645161), wk = 0.0024038 k( 381) = ( 0.5000000 0.0000000 0.0483871), wk = 0.0024038 k( 382) = ( 0.5000000 0.0000000 0.0322581), wk = 0.0024038 k( 383) = ( 0.5000000 0.0000000 0.0161290), wk = 0.0024038 k( 384) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024038 k( 385) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0024038 k( 386) = ( 0.3333333 0.3333333 0.0161290), wk = 0.0024038 k( 387) = ( 0.3333333 0.3333333 0.0322581), wk = 0.0024038 k( 388) = ( 0.3333333 0.3333333 0.0483871), wk = 0.0024038 k( 389) = ( 0.3333333 0.3333333 0.0645161), wk = 0.0024038 k( 390) = ( 0.3333333 0.3333333 0.0806452), wk = 0.0024038 k( 391) = ( 0.3333333 0.3333333 0.0967742), wk = 0.0024038 k( 392) = ( 0.3333333 0.3333333 0.1129032), wk = 0.0024038 k( 393) = ( 0.3333333 0.3333333 0.1290323), wk = 0.0024038 k( 394) = ( 0.3333333 0.3333333 0.1451613), wk = 0.0024038 k( 395) = ( 0.3333333 0.3333333 0.1612903), wk = 0.0024038 k( 396) = ( 0.3333333 0.3333333 0.1774194), wk = 0.0024038 k( 397) = ( 0.3333333 0.3333333 0.1935484), wk = 0.0024038 k( 398) = ( 0.3333333 0.3333333 0.2096774), wk = 0.0024038 k( 399) = ( 0.3333333 0.3333333 0.2258064), wk = 0.0024038 k( 400) = ( 0.3333333 0.3333333 0.2419355), wk = 0.0024038 k( 401) = ( 0.3333333 0.3333333 0.2580645), wk = 0.0024038 k( 402) = ( 0.3333333 0.3333333 0.2741936), wk = 0.0024038 k( 403) = ( 0.3333333 0.3333333 0.2903226), wk = 0.0024038 k( 404) = ( 0.3333333 0.3333333 0.3064516), wk = 0.0024038 k( 405) = ( 0.3333333 0.3333333 0.3225807), wk = 0.0024038 k( 406) = ( 0.3333333 0.3333333 0.3387097), wk = 0.0024038 k( 407) = ( 0.3333333 0.3333333 0.3548387), wk = 0.0024038 k( 408) = ( 0.3333333 0.3333333 0.3709677), wk = 0.0024038 k( 409) = ( 0.3333333 0.3333333 0.3870968), wk = 0.0024038 k( 410) = ( 0.3333333 0.3333333 0.4032258), wk = 0.0024038 k( 411) = ( 0.3333333 0.3333333 0.4193548), wk = 0.0024038 k( 412) = ( 0.3333333 0.3333333 0.4354839), wk = 0.0024038 k( 413) = ( 0.3333333 0.3333333 0.4516129), wk = 0.0024038 k( 414) = ( 0.3333333 0.3333333 0.4677419), wk = 0.0024038 k( 415) = ( 0.3333333 0.3333333 0.4838710), wk = 0.0024038 k( 416) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0024038 Dense grid: 29695 G-vectors FFT dimensions: ( 36, 36, 60) Smooth grid: 12005 G-vectors FFT dimensions: ( 25, 25, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 98, 44) NL pseudopotentials 0.07 Mb ( 49, 96) Each V/rho on FFT grid 0.04 Mb ( 2592) Each G-vector array 0.01 Mb ( 824) G-vector shells 0.00 Mb ( 387) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.26 Mb ( 98, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.13 Mb ( 96, 2, 44) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./GaN.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.8 secs Computing kpt #: 2 total cpu time spent up to now is 2.1 secs Computing kpt #: 3 total cpu time spent up to now is 2.3 secs Computing kpt #: 4 total cpu time spent up to now is 2.7 secs Computing kpt #: 5 total cpu time spent up to now is 2.9 secs Computing kpt #: 6 total cpu time spent up to now is 3.2 secs Computing kpt #: 7 total cpu time spent up to now is 3.5 secs Computing kpt #: 8 total cpu time spent up to now is 3.8 secs Computing kpt #: 9 total cpu time spent up to now is 4.0 secs Computing kpt #: 10 total cpu time spent up to now is 4.3 secs Computing kpt #: 11 total cpu time spent up to now is 4.5 secs Computing kpt #: 12 total cpu time spent up to now is 4.8 secs Computing kpt #: 13 total cpu time spent up to now is 5.1 secs Computing kpt #: 14 total cpu time spent up to now is 5.3 secs Computing kpt #: 15 total cpu time spent up to now is 5.5 secs Computing kpt #: 16 total cpu time spent up to now is 5.8 secs Computing kpt #: 17 total cpu time spent up to now is 6.1 secs Computing kpt #: 18 total cpu time spent up to now is 6.3 secs Computing kpt #: 19 total cpu time spent up to now is 6.6 secs Computing kpt #: 20 total cpu time spent up to now is 6.9 secs Computing kpt #: 21 total cpu time spent up to now is 7.1 secs Computing kpt #: 22 total cpu time spent up to now is 7.4 secs Computing kpt #: 23 total cpu time spent up to now is 7.7 secs Computing kpt #: 24 total cpu time spent up to now is 7.9 secs Computing kpt #: 25 total cpu time spent up to now is 8.2 secs Computing kpt #: 26 total cpu time spent up to now is 8.5 secs Computing kpt #: 27 total cpu time spent up to now is 8.7 secs Computing kpt #: 28 total cpu time spent up to now is 9.0 secs Computing kpt #: 29 total cpu time spent up to now is 9.2 secs Computing kpt #: 30 total cpu time spent up to now is 9.5 secs Computing kpt #: 31 total cpu time spent up to now is 9.7 secs Computing kpt #: 32 total cpu time spent up to now is 10.0 secs Computing kpt #: 33 total cpu time spent up to now is 10.2 secs Computing kpt #: 34 total cpu time spent up to now is 10.5 secs Computing kpt #: 35 total cpu time spent up to now is 10.8 secs Computing kpt #: 36 total cpu time spent up to now is 11.0 secs Computing kpt #: 37 total cpu time spent up to now is 11.3 secs Computing kpt #: 38 total cpu time spent up to now is 11.5 secs Computing kpt #: 39 total cpu time spent up to now is 11.8 secs Computing kpt #: 40 total cpu time spent up to now is 12.0 secs Computing kpt #: 41 total cpu time spent up to now is 12.3 secs Computing kpt #: 42 total cpu time spent up to now is 12.5 secs Computing kpt #: 43 total cpu time spent up to now is 12.8 secs Computing kpt #: 44 total cpu time spent up to now is 13.0 secs Computing kpt #: 45 total cpu time spent up to now is 13.2 secs Computing kpt #: 46 total cpu time spent up to now is 13.5 secs Computing kpt #: 47 total cpu time spent up to now is 13.7 secs Computing kpt #: 48 total cpu time spent up to now is 14.0 secs Computing kpt #: 49 total cpu time spent up to now is 14.2 secs Computing kpt #: 50 total cpu time spent up to now is 14.4 secs Computing kpt #: 51 total cpu time spent up to now is 14.7 secs Computing kpt #: 52 total cpu time spent up to now is 14.9 secs Computing kpt #: 53 total cpu time spent up to now is 15.1 secs Computing kpt #: 54 total cpu time spent up to now is 15.4 secs Computing kpt #: 55 total cpu time spent up to now is 15.6 secs Computing kpt #: 56 total cpu time spent up to now is 15.9 secs Computing kpt #: 57 total cpu time spent up to now is 16.1 secs Computing kpt #: 58 total cpu time spent up to now is 16.3 secs Computing kpt #: 59 total cpu time spent up to now is 16.6 secs Computing kpt #: 60 total cpu time spent up to now is 16.8 secs Computing kpt #: 61 total cpu time spent up to now is 17.0 secs Computing kpt #: 62 total cpu time spent up to now is 17.3 secs Computing kpt #: 63 total cpu time spent up to now is 17.5 secs Computing kpt #: 64 total cpu time spent up to now is 17.7 secs Computing kpt #: 65 total cpu time spent up to now is 18.0 secs Computing kpt #: 66 total cpu time spent up to now is 18.2 secs Computing kpt #: 67 total cpu time spent up to now is 18.4 secs Computing kpt #: 68 total cpu time spent up to now is 18.7 secs Computing kpt #: 69 total cpu time spent up to now is 18.9 secs Computing kpt #: 70 total cpu time spent up to now is 19.2 secs Computing kpt #: 71 total cpu time spent up to now is 19.4 secs Computing kpt #: 72 total cpu time spent up to now is 19.6 secs Computing kpt #: 73 total cpu time spent up to now is 19.9 secs Computing kpt #: 74 total cpu time spent up to now is 20.1 secs Computing kpt #: 75 total cpu time spent up to now is 20.4 secs Computing kpt #: 76 total cpu time spent up to now is 20.6 secs Computing kpt #: 77 total cpu time spent up to now is 20.8 secs Computing kpt #: 78 total cpu time spent up to now is 21.1 secs Computing kpt #: 79 total cpu time spent up to now is 21.4 secs Computing kpt #: 80 total cpu time spent up to now is 21.6 secs Computing kpt #: 81 total cpu time spent up to now is 21.8 secs Computing kpt #: 82 total cpu time spent up to now is 22.3 secs Computing kpt #: 83 total cpu time spent up to now is 22.6 secs Computing kpt #: 84 total cpu time spent up to now is 22.8 secs Computing kpt #: 85 total cpu time spent up to now is 23.1 secs Computing kpt #: 86 total cpu time spent up to now is 23.3 secs Computing kpt #: 87 total cpu time spent up to now is 23.6 secs Computing kpt #: 88 total cpu time spent up to now is 23.9 secs Computing kpt #: 89 total cpu time spent up to now is 24.1 secs Computing kpt #: 90 total cpu time spent up to now is 24.4 secs Computing kpt #: 91 total cpu time spent up to now is 24.6 secs Computing kpt #: 92 total cpu time spent up to now is 24.8 secs Computing kpt #: 93 total cpu time spent up to now is 25.1 secs Computing kpt #: 94 total cpu time spent up to now is 25.3 secs Computing kpt #: 95 total cpu time spent up to now is 25.6 secs Computing kpt #: 96 total cpu time spent up to now is 25.8 secs Computing kpt #: 97 total cpu time spent up to now is 26.1 secs Computing kpt #: 98 total cpu time spent up to now is 26.3 secs Computing kpt #: 99 total cpu time spent up to now is 26.6 secs Computing kpt #: 100 total cpu time spent up to now is 26.9 secs Computing kpt #: 101 total cpu time spent up to now is 27.1 secs Computing kpt #: 102 total cpu time spent up to now is 27.4 secs Computing kpt #: 103 total cpu time spent up to now is 27.6 secs Computing kpt #: 104 total cpu time spent up to now is 27.9 secs Computing kpt #: 105 total cpu time spent up to now is 28.1 secs Computing kpt #: 106 total cpu time spent up to now is 28.4 secs Computing kpt #: 107 total cpu time spent up to now is 28.6 secs Computing kpt #: 108 total cpu time spent up to now is 28.9 secs Computing kpt #: 109 total cpu time spent up to now is 29.2 secs Computing kpt #: 110 total cpu time spent up to now is 29.4 secs Computing kpt #: 111 total cpu time spent up to now is 29.7 secs Computing kpt #: 112 total cpu time spent up to now is 29.9 secs Computing kpt #: 113 total cpu time spent up to now is 30.2 secs Computing kpt #: 114 total cpu time spent up to now is 30.5 secs Computing kpt #: 115 total cpu time spent up to now is 30.7 secs Computing kpt #: 116 total cpu time spent up to now is 31.0 secs Computing kpt #: 117 total cpu time spent up to now is 31.3 secs Computing kpt #: 118 total cpu time spent up to now is 31.5 secs Computing kpt #: 119 total cpu time spent up to now is 31.8 secs Computing kpt #: 120 total cpu time spent up to now is 32.0 secs Computing kpt #: 121 total cpu time spent up to now is 32.3 secs Computing kpt #: 122 total cpu time spent up to now is 32.6 secs Computing kpt #: 123 total cpu time spent up to now is 32.8 secs Computing kpt #: 124 total cpu time spent up to now is 33.1 secs Computing kpt #: 125 total cpu time spent up to now is 33.3 secs Computing kpt #: 126 total cpu time spent up to now is 33.6 secs Computing kpt #: 127 total cpu time spent up to now is 33.8 secs Computing kpt #: 128 total cpu time spent up to now is 34.1 secs Computing kpt #: 129 total cpu time spent up to now is 34.3 secs Computing kpt #: 130 total cpu time spent up to now is 34.6 secs Computing kpt #: 131 total cpu time spent up to now is 34.8 secs Computing kpt #: 132 total cpu time spent up to now is 35.1 secs Computing kpt #: 133 total cpu time spent up to now is 35.3 secs Computing kpt #: 134 total cpu time spent up to now is 35.6 secs Computing kpt #: 135 total cpu time spent up to now is 35.8 secs Computing kpt #: 136 total cpu time spent up to now is 36.1 secs Computing kpt #: 137 total cpu time spent up to now is 36.3 secs Computing kpt #: 138 total cpu time spent up to now is 36.6 secs Computing kpt #: 139 total cpu time spent up to now is 36.8 secs Computing kpt #: 140 total cpu time spent up to now is 37.1 secs Computing kpt #: 141 total cpu time spent up to now is 37.3 secs Computing kpt #: 142 total cpu time spent up to now is 37.6 secs Computing kpt #: 143 total cpu time spent up to now is 37.8 secs Computing kpt #: 144 total cpu time spent up to now is 38.1 secs Computing kpt #: 145 total cpu time spent up to now is 38.3 secs Computing kpt #: 146 total cpu time spent up to now is 38.6 secs Computing kpt #: 147 total cpu time spent up to now is 38.8 secs Computing kpt #: 148 total cpu time spent up to now is 39.1 secs Computing kpt #: 149 total cpu time spent up to now is 39.3 secs Computing kpt #: 150 total cpu time spent up to now is 39.6 secs Computing kpt #: 151 total cpu time spent up to now is 39.9 secs Computing kpt #: 152 total cpu time spent up to now is 40.1 secs Computing kpt #: 153 total cpu time spent up to now is 40.4 secs Computing kpt #: 154 total cpu time spent up to now is 40.6 secs Computing kpt #: 155 total cpu time spent up to now is 40.9 secs Computing kpt #: 156 total cpu time spent up to now is 41.2 secs Computing kpt #: 157 total cpu time spent up to now is 41.5 secs Computing kpt #: 158 total cpu time spent up to now is 41.8 secs Computing kpt #: 159 total cpu time spent up to now is 42.0 secs Computing kpt #: 160 total cpu time spent up to now is 42.3 secs Computing kpt #: 161 total cpu time spent up to now is 42.5 secs Computing kpt #: 162 total cpu time spent up to now is 42.8 secs Computing kpt #: 163 total cpu time spent up to now is 43.0 secs Computing kpt #: 164 total cpu time spent up to now is 43.3 secs Computing kpt #: 165 total cpu time spent up to now is 43.6 secs Computing kpt #: 166 total cpu time spent up to now is 43.8 secs Computing kpt #: 167 total cpu time spent up to now is 44.1 secs Computing kpt #: 168 total cpu time spent up to now is 44.4 secs Computing kpt #: 169 total cpu time spent up to now is 44.7 secs Computing kpt #: 170 total cpu time spent up to now is 44.9 secs Computing kpt #: 171 total cpu time spent up to now is 45.2 secs Computing kpt #: 172 total cpu time spent up to now is 45.5 secs Computing kpt #: 173 total cpu time spent up to now is 45.8 secs Computing kpt #: 174 total cpu time spent up to now is 46.1 secs Computing kpt #: 175 total cpu time spent up to now is 46.3 secs Computing kpt #: 176 total cpu time spent up to now is 46.6 secs Computing kpt #: 177 total cpu time spent up to now is 46.8 secs Computing kpt #: 178 total cpu time spent up to now is 47.1 secs Computing kpt #: 179 total cpu time spent up to now is 47.3 secs Computing kpt #: 180 total cpu time spent up to now is 47.5 secs Computing kpt #: 181 total cpu time spent up to now is 47.8 secs Computing kpt #: 182 total cpu time spent up to now is 48.0 secs Computing kpt #: 183 total cpu time spent up to now is 48.3 secs Computing kpt #: 184 total cpu time spent up to now is 48.5 secs Computing kpt #: 185 total cpu time spent up to now is 48.8 secs Computing kpt #: 186 total cpu time spent up to now is 49.0 secs Computing kpt #: 187 total cpu time spent up to now is 49.3 secs Computing kpt #: 188 total cpu time spent up to now is 49.5 secs Computing kpt #: 189 total cpu time spent up to now is 49.7 secs Computing kpt #: 190 total cpu time spent up to now is 50.0 secs Computing kpt #: 191 total cpu time spent up to now is 50.2 secs Computing kpt #: 192 total cpu time spent up to now is 50.5 secs Computing kpt #: 193 total cpu time spent up to now is 50.7 secs Computing kpt #: 194 total cpu time spent up to now is 51.0 secs Computing kpt #: 195 total cpu time spent up to now is 51.2 secs Computing kpt #: 196 total cpu time spent up to now is 51.4 secs Computing kpt #: 197 total cpu time spent up to now is 51.7 secs Computing kpt #: 198 total cpu time spent up to now is 51.9 secs Computing kpt #: 199 total cpu time spent up to now is 52.2 secs Computing kpt #: 200 total cpu time spent up to now is 52.4 secs Computing kpt #: 201 total cpu time spent up to now is 52.6 secs Computing kpt #: 202 total cpu time spent up to now is 52.9 secs Computing kpt #: 203 total cpu time spent up to now is 53.1 secs Computing kpt #: 204 total cpu time spent up to now is 53.4 secs Computing kpt #: 205 total cpu time spent up to now is 53.6 secs Computing kpt #: 206 total cpu time spent up to now is 53.8 secs Computing kpt #: 207 total cpu time spent up to now is 54.1 secs Computing kpt #: 208 total cpu time spent up to now is 54.3 secs Computing kpt #: 209 total cpu time spent up to now is 54.6 secs Computing kpt #: 210 total cpu time spent up to now is 54.8 secs Computing kpt #: 211 total cpu time spent up to now is 55.1 secs Computing kpt #: 212 total cpu time spent up to now is 55.3 secs Computing kpt #: 213 total cpu time spent up to now is 55.6 secs Computing kpt #: 214 total cpu time spent up to now is 55.8 secs Computing kpt #: 215 total cpu time spent up to now is 56.1 secs Computing kpt #: 216 total cpu time spent up to now is 56.3 secs Computing kpt #: 217 total cpu time spent up to now is 56.6 secs Computing kpt #: 218 total cpu time spent up to now is 56.8 secs Computing kpt #: 219 total cpu time spent up to now is 57.0 secs Computing kpt #: 220 total cpu time spent up to now is 57.3 secs Computing kpt #: 221 total cpu time spent up to now is 57.5 secs Computing kpt #: 222 total cpu time spent up to now is 57.8 secs Computing kpt #: 223 total cpu time spent up to now is 58.0 secs Computing kpt #: 224 total cpu time spent up to now is 58.3 secs Computing kpt #: 225 total cpu time spent up to now is 58.5 secs Computing kpt #: 226 total cpu time spent up to now is 58.8 secs Computing kpt #: 227 total cpu time spent up to now is 59.1 secs Computing kpt #: 228 total cpu time spent up to now is 59.3 secs Computing kpt #: 229 total cpu time spent up to now is 59.6 secs Computing kpt #: 230 total cpu time spent up to now is 59.9 secs Computing kpt #: 231 total cpu time spent up to now is 60.1 secs Computing kpt #: 232 total cpu time spent up to now is 60.4 secs Computing kpt #: 233 total cpu time spent up to now is 60.7 secs Computing kpt #: 234 total cpu time spent up to now is 60.9 secs Computing kpt #: 235 total cpu time spent up to now is 61.2 secs Computing kpt #: 236 total cpu time spent up to now is 61.5 secs Computing kpt #: 237 total cpu time spent up to now is 61.7 secs Computing kpt #: 238 total cpu time spent up to now is 62.0 secs Computing kpt #: 239 total cpu time spent up to now is 62.3 secs Computing kpt #: 240 total cpu time spent up to now is 62.8 secs Computing kpt #: 241 total cpu time spent up to now is 63.1 secs Computing kpt #: 242 total cpu time spent up to now is 63.3 secs Computing kpt #: 243 total cpu time spent up to now is 63.6 secs Computing kpt #: 244 total cpu time spent up to now is 63.9 secs Computing kpt #: 245 total cpu time spent up to now is 64.1 secs Computing kpt #: 246 total cpu time spent up to now is 64.4 secs Computing kpt #: 247 total cpu time spent up to now is 64.7 secs Computing kpt #: 248 total cpu time spent up to now is 64.9 secs Computing kpt #: 249 total cpu time spent up to now is 65.2 secs Computing kpt #: 250 total cpu time spent up to now is 65.5 secs Computing kpt #: 251 total cpu time spent up to now is 65.7 secs Computing kpt #: 252 total cpu time spent up to now is 66.0 secs Computing kpt #: 253 total cpu time spent up to now is 66.2 secs Computing kpt #: 254 total cpu time spent up to now is 66.5 secs Computing kpt #: 255 total cpu time spent up to now is 66.8 secs Computing kpt #: 256 total cpu time spent up to now is 67.0 secs Computing kpt #: 257 total cpu time spent up to now is 67.3 secs Computing kpt #: 258 total cpu time spent up to now is 67.6 secs Computing kpt #: 259 total cpu time spent up to now is 67.9 secs Computing kpt #: 260 total cpu time spent up to now is 68.1 secs Computing kpt #: 261 total cpu time spent up to now is 68.4 secs Computing kpt #: 262 total cpu time spent up to now is 68.7 secs Computing kpt #: 263 total cpu time spent up to now is 68.9 secs Computing kpt #: 264 total cpu time spent up to now is 69.2 secs Computing kpt #: 265 total cpu time spent up to now is 69.5 secs Computing kpt #: 266 total cpu time spent up to now is 69.8 secs Computing kpt #: 267 total cpu time spent up to now is 70.1 secs Computing kpt #: 268 total cpu time spent up to now is 70.4 secs Computing kpt #: 269 total cpu time spent up to now is 70.7 secs Computing kpt #: 270 total cpu time spent up to now is 71.0 secs Computing kpt #: 271 total cpu time spent up to now is 71.3 secs Computing kpt #: 272 total cpu time spent up to now is 71.6 secs Computing kpt #: 273 total cpu time spent up to now is 71.8 secs Computing kpt #: 274 total cpu time spent up to now is 72.1 secs Computing kpt #: 275 total cpu time spent up to now is 72.4 secs Computing kpt #: 276 total cpu time spent up to now is 72.7 secs Computing kpt #: 277 total cpu time spent up to now is 72.9 secs Computing kpt #: 278 total cpu time spent up to now is 73.2 secs Computing kpt #: 279 total cpu time spent up to now is 73.5 secs Computing kpt #: 280 total cpu time spent up to now is 73.7 secs Computing kpt #: 281 total cpu time spent up to now is 74.0 secs Computing kpt #: 282 total cpu time spent up to now is 74.3 secs Computing kpt #: 283 total cpu time spent up to now is 74.6 secs Computing kpt #: 284 total cpu time spent up to now is 74.8 secs Computing kpt #: 285 total cpu time spent up to now is 75.1 secs Computing kpt #: 286 total cpu time spent up to now is 75.4 secs Computing kpt #: 287 total cpu time spent up to now is 75.6 secs Computing kpt #: 288 total cpu time spent up to now is 75.9 secs Computing kpt #: 289 total cpu time spent up to now is 76.2 secs Computing kpt #: 290 total cpu time spent up to now is 76.5 secs Computing kpt #: 291 total cpu time spent up to now is 76.7 secs Computing kpt #: 292 total cpu time spent up to now is 77.0 secs Computing kpt #: 293 total cpu time spent up to now is 77.3 secs Computing kpt #: 294 total cpu time spent up to now is 77.6 secs Computing kpt #: 295 total cpu time spent up to now is 77.9 secs Computing kpt #: 296 total cpu time spent up to now is 78.2 secs Computing kpt #: 297 total cpu time spent up to now is 78.4 secs Computing kpt #: 298 total cpu time spent up to now is 78.7 secs Computing kpt #: 299 total cpu time spent up to now is 79.0 secs Computing kpt #: 300 total cpu time spent up to now is 79.3 secs Computing kpt #: 301 total cpu time spent up to now is 79.6 secs Computing kpt #: 302 total cpu time spent up to now is 79.9 secs Computing kpt #: 303 total cpu time spent up to now is 80.2 secs Computing kpt #: 304 total cpu time spent up to now is 80.5 secs Computing kpt #: 305 total cpu time spent up to now is 80.8 secs Computing kpt #: 306 total cpu time spent up to now is 81.1 secs Computing kpt #: 307 total cpu time spent up to now is 81.3 secs Computing kpt #: 308 total cpu time spent up to now is 81.6 secs Computing kpt #: 309 total cpu time spent up to now is 81.9 secs Computing kpt #: 310 total cpu time spent up to now is 82.2 secs Computing kpt #: 311 total cpu time spent up to now is 82.4 secs Computing kpt #: 312 total cpu time spent up to now is 82.7 secs Computing kpt #: 313 total cpu time spent up to now is 83.0 secs Computing kpt #: 314 total cpu time spent up to now is 83.3 secs Computing kpt #: 315 total cpu time spent up to now is 83.6 secs Computing kpt #: 316 total cpu time spent up to now is 83.8 secs Computing kpt #: 317 total cpu time spent up to now is 84.1 secs Computing kpt #: 318 total cpu time spent up to now is 84.4 secs Computing kpt #: 319 total cpu time spent up to now is 84.6 secs Computing kpt #: 320 total cpu time spent up to now is 84.9 secs Computing kpt #: 321 total cpu time spent up to now is 85.2 secs Computing kpt #: 322 total cpu time spent up to now is 85.4 secs Computing kpt #: 323 total cpu time spent up to now is 85.7 secs Computing kpt #: 324 total cpu time spent up to now is 86.0 secs Computing kpt #: 325 total cpu time spent up to now is 86.2 secs Computing kpt #: 326 total cpu time spent up to now is 86.5 secs Computing kpt #: 327 total cpu time spent up to now is 86.7 secs Computing kpt #: 328 total cpu time spent up to now is 87.0 secs Computing kpt #: 329 total cpu time spent up to now is 87.2 secs Computing kpt #: 330 total cpu time spent up to now is 87.4 secs Computing kpt #: 331 total cpu time spent up to now is 87.7 secs Computing kpt #: 332 total cpu time spent up to now is 88.0 secs Computing kpt #: 333 total cpu time spent up to now is 88.2 secs Computing kpt #: 334 total cpu time spent up to now is 88.5 secs Computing kpt #: 335 total cpu time spent up to now is 88.7 secs Computing kpt #: 336 total cpu time spent up to now is 89.0 secs Computing kpt #: 337 total cpu time spent up to now is 89.2 secs Computing kpt #: 338 total cpu time spent up to now is 89.5 secs Computing kpt #: 339 total cpu time spent up to now is 89.7 secs Computing kpt #: 340 total cpu time spent up to now is 90.0 secs Computing kpt #: 341 total cpu time spent up to now is 90.3 secs Computing kpt #: 342 total cpu time spent up to now is 90.5 secs Computing kpt #: 343 total cpu time spent up to now is 90.7 secs Computing kpt #: 344 total cpu time spent up to now is 91.0 secs Computing kpt #: 345 total cpu time spent up to now is 91.2 secs Computing kpt #: 346 total cpu time spent up to now is 91.4 secs Computing kpt #: 347 total cpu time spent up to now is 91.7 secs Computing kpt #: 348 total cpu time spent up to now is 91.9 secs Computing kpt #: 349 total cpu time spent up to now is 92.1 secs Computing kpt #: 350 total cpu time spent up to now is 92.4 secs Computing kpt #: 351 total cpu time spent up to now is 92.7 secs Computing kpt #: 352 total cpu time spent up to now is 92.9 secs Computing kpt #: 353 total cpu time spent up to now is 93.2 secs Computing kpt #: 354 total cpu time spent up to now is 93.4 secs Computing kpt #: 355 total cpu time spent up to now is 93.7 secs Computing kpt #: 356 total cpu time spent up to now is 93.9 secs Computing kpt #: 357 total cpu time spent up to now is 94.2 secs Computing kpt #: 358 total cpu time spent up to now is 94.5 secs Computing kpt #: 359 total cpu time spent up to now is 94.7 secs Computing kpt #: 360 total cpu time spent up to now is 95.0 secs Computing kpt #: 361 total cpu time spent up to now is 95.3 secs Computing kpt #: 362 total cpu time spent up to now is 95.5 secs Computing kpt #: 363 total cpu time spent up to now is 95.8 secs Computing kpt #: 364 total cpu time spent up to now is 96.0 secs Computing kpt #: 365 total cpu time spent up to now is 96.3 secs Computing kpt #: 366 total cpu time spent up to now is 96.6 secs Computing kpt #: 367 total cpu time spent up to now is 96.8 secs Computing kpt #: 368 total cpu time spent up to now is 97.1 secs Computing kpt #: 369 total cpu time spent up to now is 97.3 secs Computing kpt #: 370 total cpu time spent up to now is 97.7 secs Computing kpt #: 371 total cpu time spent up to now is 98.0 secs Computing kpt #: 372 total cpu time spent up to now is 98.3 secs Computing kpt #: 373 total cpu time spent up to now is 98.5 secs Computing kpt #: 374 total cpu time spent up to now is 98.8 secs Computing kpt #: 375 total cpu time spent up to now is 99.0 secs Computing kpt #: 376 total cpu time spent up to now is 99.3 secs Computing kpt #: 377 total cpu time spent up to now is 99.5 secs Computing kpt #: 378 total cpu time spent up to now is 99.8 secs Computing kpt #: 379 total cpu time spent up to now is 100.1 secs Computing kpt #: 380 total cpu time spent up to now is 100.3 secs Computing kpt #: 381 total cpu time spent up to now is 100.5 secs Computing kpt #: 382 total cpu time spent up to now is 100.8 secs Computing kpt #: 383 total cpu time spent up to now is 101.0 secs Computing kpt #: 384 total cpu time spent up to now is 101.3 secs Computing kpt #: 385 total cpu time spent up to now is 101.5 secs Computing kpt #: 386 total cpu time spent up to now is 101.8 secs Computing kpt #: 387 total cpu time spent up to now is 102.0 secs Computing kpt #: 388 total cpu time spent up to now is 102.3 secs Computing kpt #: 389 total cpu time spent up to now is 102.5 secs Computing kpt #: 390 total cpu time spent up to now is 102.7 secs Computing kpt #: 391 total cpu time spent up to now is 103.0 secs Computing kpt #: 392 total cpu time spent up to now is 103.2 secs Computing kpt #: 393 total cpu time spent up to now is 103.5 secs Computing kpt #: 394 total cpu time spent up to now is 103.7 secs Computing kpt #: 395 total cpu time spent up to now is 104.0 secs Computing kpt #: 396 total cpu time spent up to now is 104.2 secs Computing kpt #: 397 total cpu time spent up to now is 104.5 secs Computing kpt #: 398 total cpu time spent up to now is 104.7 secs Computing kpt #: 399 total cpu time spent up to now is 105.0 secs Computing kpt #: 400 total cpu time spent up to now is 105.3 secs Computing kpt #: 401 total cpu time spent up to now is 105.5 secs Computing kpt #: 402 total cpu time spent up to now is 105.8 secs Computing kpt #: 403 total cpu time spent up to now is 106.0 secs Computing kpt #: 404 total cpu time spent up to now is 106.3 secs Computing kpt #: 405 total cpu time spent up to now is 106.6 secs Computing kpt #: 406 total cpu time spent up to now is 106.8 secs Computing kpt #: 407 total cpu time spent up to now is 107.1 secs Computing kpt #: 408 total cpu time spent up to now is 107.4 secs Computing kpt #: 409 total cpu time spent up to now is 107.7 secs Computing kpt #: 410 total cpu time spent up to now is 107.9 secs Computing kpt #: 411 total cpu time spent up to now is 108.2 secs Computing kpt #: 412 total cpu time spent up to now is 108.5 secs Computing kpt #: 413 total cpu time spent up to now is 108.7 secs Computing kpt #: 414 total cpu time spent up to now is 109.0 secs Computing kpt #: 415 total cpu time spent up to now is 109.3 secs Computing kpt #: 416 total cpu time spent up to now is 109.5 secs ethr = 2.78E-08, avg # of iterations = 13.1 total cpu time spent up to now is 109.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1509 PWs) bands (ev): -6.1841 -6.1841 -5.2605 -5.2605 -3.7715 -3.7715 -3.7335 -3.7335 -3.7283 -3.7283 -3.3883 -3.3883 -3.3806 -3.3806 -3.2567 -3.2567 -3.2027 -3.2027 -3.1805 -3.1805 -3.0566 -3.0566 -1.9213 -1.9213 2.9177 2.9177 8.8315 8.8315 8.8562 8.8562 9.8548 9.8548 9.8611 9.8611 9.9587 9.9587 11.9059 11.9059 14.1277 14.1277 19.2032 19.2032 19.7201 19.7201 k = 0.0086 0.0050-0.0000 ( 1513 PWs) bands (ev): -6.1834 -6.1833 -5.2616 -5.2589 -3.7714 -3.7714 -3.7352 -3.7319 -3.7282 -3.7281 -3.3896 -3.3868 -3.3854 -3.3758 -3.2570 -3.2564 -3.2030 -3.2024 -3.1805 -3.1805 -3.0566 -3.0566 -1.9239 -1.9178 2.9186 2.9190 8.8263 8.8285 8.8524 8.8526 9.8475 9.8489 9.8580 9.8586 9.9571 9.9585 11.9138 11.9141 14.1322 14.1340 19.2012 19.2023 19.7166 19.7190 k = 0.0172 0.0100-0.0000 ( 1513 PWs) bands (ev): -6.1811 -6.1809 -5.2623 -5.2569 -3.7710 -3.7710 -3.7367 -3.7303 -3.7277 -3.7274 -3.3906 -3.3902 -3.3849 -3.3709 -3.2573 -3.2561 -3.2032 -3.2021 -3.1804 -3.1804 -3.0568 -3.0568 -1.9255 -1.9134 2.9217 2.9226 8.8106 8.8153 8.8429 8.8438 9.8223 9.8249 9.8548 9.8559 9.9543 9.9571 11.9372 11.9379 14.1474 14.1510 19.1960 19.1983 19.7075 19.7123 k = 0.0259 0.0149-0.0000 ( 1513 PWs) bands (ev): -6.1773 -6.1771 -5.2625 -5.2544 -3.7704 -3.7702 -3.7381 -3.7290 -3.7269 -3.7261 -3.3950 -3.3912 -3.3828 -3.3661 -3.2576 -3.2558 -3.2034 -3.2017 -3.1803 -3.1803 -3.0572 -3.0571 -1.9261 -1.9080 2.9270 2.9283 8.7817 8.7888 8.8315 8.8328 9.7810 9.7846 9.8507 9.8523 9.9502 9.9541 11.9750 11.9760 14.1731 14.1783 19.1877 19.1912 19.6900 19.6970 k = 0.0345 0.0199-0.0000 ( 1507 PWs) bands (ev): -6.1720 -6.1716 -5.2622 -5.2515 -3.7694 -3.7692 -3.7392 -3.7279 -3.7259 -3.7241 -3.3998 -3.3915 -3.3803 -3.3613 -3.2579 -3.2554 -3.2034 -3.2012 -3.1800 -3.1800 -3.0576 -3.0575 -1.9257 -1.9017 2.9345 2.9362 8.7400 8.7489 8.8184 8.8197 9.7258 9.7302 9.8453 9.8473 9.9449 9.9498 12.0255 12.0271 14.2088 14.2156 19.1759 19.1807 19.6610 19.6695 k = 0.0431 0.0249-0.0000 ( 1507 PWs) bands (ev): -6.1652 -6.1647 -5.2615 -5.2482 -3.7683 -3.7679 -3.7403 -3.7268 -3.7246 -3.7217 -3.4046 -3.3915 -3.3776 -3.3564 -3.2581 -3.2552 -3.2035 -3.2007 -3.1797 -3.1796 -3.0582 -3.0580 -1.9242 -1.8945 2.9442 2.9462 8.6865 8.6971 8.8028 8.8041 9.6585 9.6637 9.8385 9.8409 9.9381 9.9440 12.0870 12.0890 14.2539 14.2623 19.1603 19.1662 19.6192 19.6280 k = 0.0517 0.0299-0.0000 ( 1511 PWs) bands (ev): -6.1569 -6.1563 -5.2604 -5.2444 -3.7670 -3.7662 -3.7412 -3.7256 -3.7230 -3.7192 -3.4094 -3.3913 -3.3746 -3.3516 -3.2584 -3.2550 -3.2035 -3.2002 -3.1794 -3.1793 -3.0590 -3.0586 -1.9219 -1.8865 2.9560 2.9585 8.6223 8.6344 8.7843 8.7856 9.5810 9.5869 9.8302 9.8331 9.9297 9.9366 12.1574 12.1599 14.3078 14.3175 19.1400 19.1472 19.5660 19.5741 k = 0.0603 0.0348-0.0000 ( 1511 PWs) bands (ev): -6.1471 -6.1465 -5.2589 -5.2403 -3.7654 -3.7642 -3.7419 -3.7241 -3.7211 -3.7165 -3.4141 -3.3906 -3.3714 -3.3468 -3.2585 -3.2547 -3.2035 -3.1996 -3.1790 -3.1788 -3.0599 -3.0592 -1.9184 -1.8776 2.9700 2.9729 8.5481 8.5616 8.7631 8.7643 9.4952 9.5018 9.8204 9.8237 9.9198 9.9277 12.2351 12.2381 14.3697 14.3806 19.1141 19.1225 19.5045 19.5112 k = 0.0690 0.0398-0.0000 ( 1505 PWs) bands (ev): -6.1359 -6.1352 -5.2570 -5.2357 -3.7636 -3.7619 -3.7424 -3.7224 -3.7189 -3.7135 -3.4188 -3.3896 -3.3678 -3.3419 -3.2586 -3.2545 -3.2034 -3.1989 -3.1785 -3.1781 -3.0609 -3.0599 -1.9140 -1.8678 2.9861 2.9895 8.4648 8.4797 8.7391 8.7403 9.4025 9.4098 9.8093 9.8130 9.9084 9.9173 12.3185 12.3221 14.4386 14.4506 19.0811 19.0904 19.4387 19.4432 k = 0.0776 0.0448-0.0000 ( 1503 PWs) bands (ev): -6.1232 -6.1225 -5.2547 -5.2309 -3.7616 -3.7593 -3.7425 -3.7206 -3.7165 -3.7103 -3.4234 -3.3883 -3.3640 -3.3371 -3.2586 -3.2543 -3.2032 -3.1982 -3.1779 -3.1774 -3.0620 -3.0606 -1.9086 -1.8573 3.0044 3.0081 8.3732 8.3893 8.7124 8.7136 9.3041 9.3121 9.7967 9.8008 9.8955 9.9054 12.4065 12.4107 14.5138 14.5267 19.0389 19.0488 19.3727 19.3745 k = 0.0862 0.0498-0.0000 ( 1503 PWs) bands (ev): -6.1092 -6.1084 -5.2520 -5.2257 -3.7595 -3.7567 -3.7422 -3.7185 -3.7137 -3.7069 -3.4281 -3.3867 -3.3600 -3.3322 -3.2586 -3.2542 -3.2030 -3.1975 -3.1773 -3.1766 -3.0632 -3.0613 -1.9022 -1.8459 3.0247 3.0289 8.2741 8.2913 8.6831 8.6844 9.2011 9.2097 9.7826 9.7871 9.8811 9.8920 12.4978 12.5027 14.5942 14.6078 18.9854 18.9953 19.3090 19.3104 k = 0.0948 0.0547-0.0000 ( 1503 PWs) bands (ev): -6.0939 -6.0931 -5.2489 -5.2202 -3.7573 -3.7543 -3.7411 -3.7163 -3.7107 -3.7033 -3.4327 -3.3848 -3.3557 -3.3273 -3.2584 -3.2540 -3.2028 -3.1967 -3.1765 -3.1757 -3.0646 -3.0621 -1.8947 -1.8338 3.0471 3.0518 8.1682 8.1864 8.6515 8.6528 9.0944 9.1036 9.7672 9.7720 9.8652 9.8771 12.5917 12.5972 14.6788 14.6930 18.9196 18.9291 19.2493 19.2544 k = 0.1034 0.0597-0.0000 ( 1507 PWs) bands (ev): -6.0773 -6.0764 -5.2456 -5.2144 -3.7550 -3.7524 -3.7388 -3.7140 -3.7074 -3.6995 -3.4373 -3.3825 -3.3511 -3.3224 -3.2582 -3.2540 -3.2025 -3.1959 -3.1756 -3.1746 -3.0661 -3.0629 -1.8863 -1.8210 3.0716 3.0766 8.0564 8.0754 8.6176 8.6190 8.9845 8.9943 9.7503 9.7555 9.8477 9.8606 12.6875 12.6936 14.7668 14.7814 18.8421 18.8511 19.1960 19.2048 k = 0.1121 0.0647-0.0000 ( 1503 PWs) bands (ev): -6.0594 -6.0586 -5.2419 -5.2084 -3.7525 -3.7511 -3.7352 -3.7115 -3.7038 -3.6953 -3.4418 -3.3799 -3.3463 -3.3175 -3.2578 -3.2538 -3.2022 -3.1949 -3.1745 -3.1734 -3.0675 -3.0636 -1.8769 -1.8074 3.0980 3.1035 7.9394 7.9592 8.5817 8.5831 8.8722 8.8826 9.7322 9.7377 9.8286 9.8425 12.7845 12.7913 14.8571 14.8720 18.7556 18.7641 19.1477 19.1602 k = 0.1207 0.0697-0.0000 ( 1505 PWs) bands (ev): -6.0403 -6.0396 -5.2380 -5.2022 -3.7503 -3.7500 -3.7306 -3.7089 -3.6999 -3.6908 -3.4462 -3.3770 -3.3413 -3.3126 -3.2573 -3.2538 -3.2019 -3.1940 -3.1733 -3.1721 -3.0691 -3.0643 -1.8665 -1.7931 3.1265 3.1324 7.8178 7.8383 8.5438 8.5452 8.7577 8.7687 9.7127 9.7185 9.8078 9.8227 12.8823 12.8898 14.9487 14.9638 18.6629 18.6710 19.1026 19.1183 k = 0.1293 0.0747-0.0000 ( 1497 PWs) bands (ev): -6.0202 -6.0194 -5.2338 -5.1957 -3.7498 -3.7473 -3.7249 -3.7061 -3.6956 -3.6859 -3.4505 -3.3737 -3.3359 -3.3076 -3.2565 -3.2537 -3.2014 -3.1929 -3.1718 -3.1706 -3.0706 -3.0649 -1.8552 -1.7781 3.1568 3.1632 7.6923 7.7135 8.5043 8.5057 8.6417 8.6530 9.6920 9.6981 9.7855 9.8013 12.9804 12.9887 15.0408 15.0559 18.5667 18.5745 19.0588 19.0776 k = 0.1379 0.0796-0.0000 ( 1493 PWs) bands (ev): -5.9990 -5.9983 -5.2294 -5.1891 -3.7494 -3.7447 -3.7185 -3.7032 -3.6910 -3.6807 -3.4548 -3.3702 -3.3303 -3.3025 -3.2557 -3.2536 -3.2009 -3.1918 -3.1700 -3.1689 -3.0722 -3.0655 -1.8430 -1.7625 3.1890 3.1959 7.5636 7.5853 8.4631 8.4640 8.5247 8.5360 9.6702 9.6765 9.7614 9.7783 13.0785 13.0875 15.1322 15.1472 18.4690 18.4765 19.0151 19.0367 k = 0.1466 0.0846-0.0000 ( 1493 PWs) bands (ev): -5.9768 -5.9762 -5.2249 -5.1825 -3.7490 -3.7421 -3.7113 -3.7003 -3.6861 -3.6751 -3.4591 -3.3665 -3.3245 -3.2975 -3.2547 -3.2535 -3.2005 -3.1907 -3.1679 -3.1670 -3.0739 -3.0660 -1.8298 -1.7463 3.2231 3.2304 7.4320 7.4543 8.4010 8.4133 8.4249 8.4264 9.6472 9.6538 9.7358 9.7536 13.1763 13.1861 15.2218 15.2366 18.3712 18.3783 18.9707 18.9948 k = 0.1552 0.0896-0.0000 ( 1497 PWs) bands (ev): -5.9537 -5.9532 -5.2201 -5.1758 -3.7486 -3.7396 -3.7036 -3.6973 -3.6809 -3.6692 -3.4633 -3.3627 -3.3186 -3.2924 -3.2534 -3.2534 -3.2000 -3.1895 -3.1655 -3.1649 -3.0754 -3.0665 -1.8158 -1.7294 3.2589 3.2666 7.2983 7.3210 8.2837 8.2973 8.3778 8.3802 9.6231 9.6299 9.7083 9.7271 13.2735 13.2841 15.3088 15.3232 18.2747 18.2814 18.9254 18.9517 k = 0.1638 0.0946-0.0000 ( 1501 PWs) bands (ev): -5.9297 -5.9294 -5.2153 -5.1690 -3.7482 -3.7370 -3.6953 -3.6943 -3.6752 -3.6628 -3.4673 -3.3586 -3.3124 -3.2873 -3.2533 -3.2519 -3.1995 -3.1883 -3.1628 -3.1626 -3.0769 -3.0668 -1.8010 -1.7120 3.2963 3.3046 7.1630 7.1861 8.1634 8.1772 8.3330 8.3352 9.5980 9.6051 9.6791 9.6988 13.3699 13.3814 15.3920 15.4059 18.1804 18.1864 18.8789 18.9072 k = 0.1724 0.0995-0.0000 ( 1501 PWs) bands (ev): -5.9050 -5.9049 -5.2103 -5.1622 -3.7478 -3.7346 -3.6912 -3.6865 -3.6689 -3.6560 -3.4713 -3.3544 -3.3060 -3.2822 -3.2530 -3.2500 -3.1989 -3.1871 -3.1599 -3.1595 -3.0783 -3.0670 -1.7853 -1.6941 3.3354 3.3441 7.0264 7.0500 8.0423 8.0565 8.2874 8.2897 9.5720 9.5793 9.6481 9.6687 13.4653 13.4776 15.4703 15.4836 18.0889 18.0942 18.8313 18.8614 k = 0.1810 0.1045-0.0000 ( 1509 PWs) bands (ev): -5.8798 -5.8797 -5.2052 -5.1554 -3.7473 -3.7322 -3.6882 -3.6776 -3.6619 -3.6489 -3.4752 -3.3502 -3.2995 -3.2771 -3.2527 -3.2477 -3.1984 -3.1859 -3.1570 -3.1559 -3.0796 -3.0670 -1.7689 -1.6757 3.3760 3.3850 6.8891 6.9130 7.9207 7.9352 8.2411 8.2434 9.5452 9.5528 9.6152 9.6368 13.5594 13.5726 15.5427 15.5553 18.0006 18.0051 18.7831 18.8145 k = 0.1897 0.1095-0.0000 ( 1505 PWs) bands (ev): -5.8542 -5.8538 -5.2001 -5.1487 -3.7468 -3.7298 -3.6850 -3.6689 -3.6535 -3.6413 -3.4790 -3.3460 -3.2929 -3.2720 -3.2522 -3.2449 -3.1977 -3.1846 -3.1536 -3.1516 -3.0805 -3.0669 -1.7518 -1.6569 3.4179 3.4274 6.7516 6.7759 7.7989 7.8138 8.1944 8.1967 9.5177 9.5255 9.5806 9.6030 13.6521 13.6662 15.6082 15.6200 17.9160 17.9195 18.7348 18.7673 k = 0.1983 0.1145-0.0000 ( 1507 PWs) bands (ev): -5.8282 -5.8274 -5.1950 -5.1421 -3.7462 -3.7276 -3.6819 -3.6608 -3.6436 -3.6333 -3.4827 -3.3418 -3.2863 -3.2673 -3.2515 -3.2415 -3.1970 -3.1833 -3.1497 -3.1469 -3.0812 -3.0666 -1.7340 -1.6376 3.4611 3.4710 6.6142 6.6389 7.6769 7.6921 8.1472 8.1496 9.4895 9.4976 9.5443 9.5674 13.7431 13.7582 15.6659 15.6769 17.8351 17.8375 18.6870 18.7202 k = 0.2069 0.1195-0.0000 ( 1507 PWs) bands (ev): -5.8018 -5.8007 -5.1898 -5.1355 -3.7456 -3.7255 -3.6787 -3.6533 -3.6322 -3.6250 -3.4862 -3.3377 -3.2798 -3.2629 -3.2505 -3.2374 -3.1961 -3.1820 -3.1452 -3.1416 -3.0812 -3.0661 -1.7156 -1.6181 3.5055 3.5157 6.4774 6.5025 7.5550 7.5704 8.0998 8.1022 9.4606 9.4691 9.5062 9.5299 13.8324 13.8484 15.7150 15.7251 17.7577 17.7589 18.6406 18.6741 k = 0.2155 0.1244-0.0000 ( 1515 PWs) bands (ev): -5.7752 -5.7737 -5.1847 -5.1292 -3.7450 -3.7236 -3.6756 -3.6463 -3.6196 -3.6165 -3.4896 -3.3340 -3.2737 -3.2589 -3.2490 -3.2325 -3.1951 -3.1807 -3.1401 -3.1359 -3.0805 -3.0653 -1.6967 -1.5982 3.5507 3.5612 6.3417 6.3672 7.4333 7.4489 8.0522 8.0546 9.4309 9.4400 9.4665 9.4905 13.9196 13.9366 15.7550 15.7642 17.6835 17.6835 18.5962 18.6298 k = 0.2241 0.1294-0.0000 ( 1511 PWs) bands (ev): -5.7485 -5.7465 -5.1796 -5.1230 -3.7443 -3.7218 -3.6724 -3.6394 -3.6077 -3.6060 -3.4928 -3.3303 -3.2684 -3.2552 -3.2465 -3.2271 -3.1938 -3.1794 -3.1341 -3.1299 -3.0785 -3.0642 -1.6774 -1.5781 3.5967 3.6074 6.2075 6.2333 7.3120 7.3278 8.0047 8.0072 9.4001 9.4107 9.4258 9.4494 14.0047 14.0228 15.7856 15.7940 17.6109 17.6120 18.5552 18.5886 k = 0.2328 0.1344-0.0000 ( 1503 PWs) bands (ev): -5.7217 -5.7193 -5.1745 -5.1170 -3.7435 -3.7200 -3.6693 -3.6327 -3.5986 -3.5917 -3.4958 -3.3269 -3.2642 -3.2519 -3.2429 -3.2214 -3.1920 -3.1782 -3.1272 -3.1242 -3.0745 -3.0627 -1.6576 -1.5579 3.6430 3.6540 6.0754 6.1016 7.1912 7.2071 7.9574 7.9599 9.3664 9.3809 9.3860 9.4065 14.0874 14.1065 15.8069 15.8146 17.5402 17.5425 18.5182 18.5510 k = 0.2414 0.1394-0.0000 ( 1503 PWs) bands (ev): -5.6951 -5.6921 -5.1695 -5.1112 -3.7428 -3.7184 -3.6662 -3.6261 -3.5895 -3.5768 -3.4985 -3.3239 -3.2612 -3.2490 -3.2382 -3.2161 -3.1896 -3.1769 -3.1194 -3.1193 -3.0679 -3.0606 -1.6377 -1.5376 3.6895 3.7006 5.9457 5.9724 7.0711 7.0871 7.9103 7.9129 9.3263 9.3497 9.3506 9.3629 14.1674 14.1877 15.8191 15.8261 17.4709 17.4742 18.4857 18.5177 k = 0.2500 0.1443-0.0000 ( 1507 PWs) bands (ev): -5.6687 -5.6651 -5.1646 -5.1056 -3.7421 -3.7170 -3.6633 -3.6197 -3.5804 -3.5616 -3.5010 -3.3211 -3.2591 -3.2462 -3.2327 -3.2114 -3.1864 -3.1758 -3.1155 -3.1106 -3.0580 -3.0577 -1.6175 -1.5174 3.7357 3.7468 5.8191 5.8463 6.9519 6.9679 7.8637 7.8663 9.2806 9.3105 9.3187 9.3253 14.2447 14.2661 15.8229 15.8295 17.4022 17.4065 18.4581 18.4891 k = 0.2586 0.1493-0.0000 ( 1505 PWs) bands (ev): -5.6426 -5.6383 -5.1598 -5.1003 -3.7413 -3.7157 -3.6603 -3.6133 -3.5713 -3.5463 -3.5029 -3.3186 -3.2575 -3.2435 -3.2268 -3.2077 -3.1820 -3.1746 -3.1130 -3.1011 -3.0535 -3.0444 -1.5973 -1.4973 3.7810 3.7921 5.6964 5.7242 6.8337 6.8498 7.8176 7.8202 9.2317 9.2630 9.2882 9.2942 14.3190 14.3417 15.8192 15.8256 17.3336 17.3387 18.4354 18.4653 k = 0.2672 0.1543-0.0000 ( 1503 PWs) bands (ev): -5.6169 -5.6119 -5.1550 -5.0952 -3.7405 -3.7145 -3.6574 -3.6072 -3.5622 -3.5317 -3.5038 -3.3164 -3.2562 -3.2408 -3.2209 -3.2049 -3.1768 -3.1735 -3.1112 -3.0916 -3.0471 -3.0274 -1.5772 -1.4774 3.8249 3.8358 5.5783 5.6068 6.7169 6.7329 7.7722 7.7748 9.1807 9.2126 9.2583 9.2643 14.3901 14.4140 15.8092 15.8155 17.2647 17.2705 18.4176 18.4462 k = 0.2759 0.1593-0.0000 ( 1503 PWs) bands (ev): -5.5916 -5.5860 -5.1505 -5.0904 -3.7397 -3.7135 -3.6545 -3.6013 -3.5534 -3.5198 -3.5016 -3.3145 -3.2551 -3.2382 -3.2152 -3.2029 -3.1724 -3.1712 -3.1101 -3.0831 -3.0372 -3.0072 -1.5574 -1.4579 3.8664 3.8769 5.4659 5.4951 6.6016 6.6175 7.7275 7.7301 9.1277 9.1601 9.2288 9.2348 14.4578 14.4830 15.7939 15.8004 17.1953 17.2017 18.4043 18.4315 k = 0.2845 0.1642-0.0000 ( 1503 PWs) bands (ev): -5.5670 -5.5606 -5.1460 -5.0859 -3.7389 -3.7126 -3.6518 -3.5959 -3.5447 -3.5148 -3.4923 -3.3128 -3.2540 -3.2356 -3.2098 -3.2014 -3.1714 -3.1655 -3.1092 -3.0764 -3.0228 -2.9839 -1.5379 -1.4390 3.9044 3.9144 5.3602 5.3903 6.4880 6.5038 7.6836 7.6862 9.0729 9.1059 9.1997 9.2058 14.5219 14.5484 15.7745 15.7814 17.1254 17.1322 18.3949 18.4207 k = 0.2931 0.1692-0.0000 ( 1507 PWs) bands (ev): -5.5431 -5.5359 -5.1417 -5.0818 -3.7381 -3.7119 -3.6491 -3.5909 -3.5363 -3.5138 -3.4790 -3.3114 -3.2529 -3.2330 -3.2048 -3.2001 -3.1704 -3.1599 -3.1084 -3.0715 -3.0040 -2.9576 -1.5189 -1.4208 3.9377 3.9470 5.2627 5.2938 6.3765 6.3922 7.6406 7.6432 9.0164 9.0499 9.1711 9.1771 14.5821 14.6099 15.7522 15.7597 17.0552 17.0624 18.3891 18.4134 k = 0.3017 0.1742-0.0000 ( 1511 PWs) bands (ev): -5.5199 -5.5119 -5.1375 -5.0779 -3.7374 -3.7113 -3.6465 -3.5865 -3.5283 -3.5135 -3.4650 -3.3103 -3.2518 -3.2305 -3.2001 -3.1990 -3.1693 -3.1546 -3.1074 -3.0676 -2.9810 -2.9286 -1.5007 -1.4033 3.9645 3.9729 5.1750 5.2073 6.2675 6.2829 7.5988 7.6013 8.9584 8.9923 9.1430 9.1489 14.6382 14.6673 15.7280 15.7364 16.9849 16.9924 18.3863 18.4090 k = 0.3103 0.1792-0.0000 ( 1515 PWs) bands (ev): -5.4975 -5.4888 -5.1335 -5.0743 -3.7366 -3.7109 -3.6440 -3.5828 -3.5206 -3.5128 -3.4513 -3.3093 -3.2506 -3.2280 -3.1979 -3.1958 -3.1684 -3.1497 -3.1063 -3.0646 -2.9545 -2.8969 -1.4834 -1.3869 3.9829 3.9902 5.0990 5.1325 6.1614 6.1766 7.5580 7.5606 8.8989 8.9332 9.1155 9.1213 14.6899 14.7204 15.7030 15.7123 16.9149 16.9227 18.3861 18.4073 k = 0.3190 0.1842-0.0000 ( 1515 PWs) bands (ev): -5.4759 -5.4665 -5.1296 -5.0710 -3.7358 -3.7105 -3.6415 -3.5799 -3.5132 -3.5116 -3.4381 -3.3085 -3.2493 -3.2256 -3.1969 -3.1919 -3.1674 -3.1453 -3.1049 -3.0618 -2.9245 -2.8625 -1.4672 -1.3718 3.9911 3.9973 5.0365 5.0711 6.0587 6.0736 7.5186 7.5211 8.8381 8.8727 9.0888 9.0944 14.7371 14.7688 15.6780 15.6883 16.8457 16.8537 18.3882 18.4080 k = 0.3276 0.1891-0.0000 ( 1517 PWs) bands (ev): -5.4553 -5.4451 -5.1258 -5.0681 -3.7350 -3.7102 -3.6392 -3.5777 -3.5098 -3.5063 -3.4258 -3.3078 -3.2479 -3.2233 -3.1957 -3.1882 -3.1664 -3.1415 -3.1030 -3.0594 -2.8914 -2.8257 -1.4523 -1.3580 3.9874 3.9926 4.9884 5.0239 5.9601 5.9747 7.4804 7.4828 8.7761 8.8110 9.0628 9.0683 14.7796 14.8125 15.6538 15.6651 16.7777 16.7858 18.3922 18.4105 k = 0.3362 0.1941-0.0000 ( 1511 PWs) bands (ev): -5.4356 -5.4247 -5.1221 -5.0654 -3.7342 -3.7101 -3.6368 -3.5763 -3.5073 -3.4997 -3.4142 -3.3073 -3.2464 -3.2211 -3.1945 -3.1848 -3.1653 -3.1383 -3.1007 -3.0571 -2.8554 -2.7865 -1.4390 -1.3458 3.9715 3.9759 4.9549 4.9910 5.8667 5.8810 7.4436 7.4460 8.7132 8.7482 9.0376 9.0429 14.8173 14.8512 15.6311 15.6436 16.7111 16.7193 18.3980 18.4148 k = 0.3448 0.1991-0.0000 ( 1509 PWs) bands (ev): -5.4169 -5.4054 -5.1185 -5.0630 -3.7334 -3.7100 -3.6345 -3.5756 -3.5043 -3.4937 -3.4036 -3.3069 -3.2448 -3.2191 -3.1931 -3.1816 -3.1643 -3.1357 -3.0980 -3.0550 -2.8165 -2.7451 -1.4273 -1.3354 3.9439 3.9478 4.9342 4.9704 5.7795 5.7936 7.4082 7.4106 8.6494 8.6844 9.0132 9.0184 14.8500 14.8848 15.6105 15.6239 16.6465 16.6547 18.4054 18.4208 k = 0.3534 0.2041-0.0000 ( 1509 PWs) bands (ev): -5.3992 -5.3871 -5.1151 -5.0610 -3.7326 -3.7101 -3.6324 -3.5755 -3.5009 -3.4880 -3.3939 -3.3067 -3.2432 -3.2173 -3.1916 -3.1786 -3.1632 -3.1336 -3.0950 -3.0530 -2.7752 -2.7018 -1.4177 -1.3270 3.9067 3.9103 4.9231 4.9588 5.7002 5.7142 7.3744 7.3767 8.5851 8.6200 8.9899 8.9948 14.8777 14.9130 15.5923 15.6066 16.5841 16.5923 18.4141 18.4282 k = 0.3621 0.2090-0.0000 ( 1513 PWs) bands (ev): -5.3825 -5.3700 -5.1118 -5.0593 -3.7319 -3.7102 -3.6303 -3.5760 -3.4972 -3.4828 -3.3850 -3.3066 -3.2415 -3.2158 -3.1900 -3.1759 -3.1621 -3.1321 -3.0916 -3.0512 -2.7315 -2.6566 -1.4101 -1.3208 3.8623 3.8657 4.9171 4.9518 5.6310 5.6452 7.3421 7.3443 8.5204 8.5551 8.9675 8.9722 14.9006 14.9360 15.5768 15.5917 16.5242 16.5323 18.4241 18.4369 k = 0.3707 0.2140-0.0000 ( 1513 PWs) bands (ev): -5.3669 -5.3540 -5.1086 -5.0578 -3.7311 -3.7105 -3.6283 -3.5768 -3.4933 -3.4781 -3.3769 -3.3065 -3.2397 -3.2146 -3.1881 -3.1734 -3.1610 -3.1310 -3.0880 -3.0494 -2.6858 -2.6098 -1.4050 -1.3170 3.8134 3.8168 4.9112 4.9442 5.5746 5.5894 7.3115 7.3137 8.4556 8.4900 8.9462 8.9507 14.9188 14.9540 15.5642 15.5794 16.4672 16.4751 18.4351 18.4468 k = 0.3793 0.2190-0.0000 ( 1513 PWs) bands (ev): -5.3522 -5.3391 -5.1054 -5.0567 -3.7303 -3.7108 -3.6263 -3.5779 -3.4893 -3.4737 -3.3696 -3.3066 -3.2379 -3.2136 -3.1861 -3.1711 -3.1598 -3.1303 -3.0844 -3.0478 -2.6382 -2.5616 -1.4023 -1.3158 3.7623 3.7657 4.9005 4.9312 5.5338 5.5496 7.2826 7.2847 8.3911 8.4250 8.9261 8.9303 14.9327 14.9672 15.5544 15.5696 16.4133 16.4210 18.4471 18.4577 k = 0.3879 0.2240-0.0000 ( 1513 PWs) bands (ev): -5.3386 -5.3254 -5.1023 -5.0558 -3.7295 -3.7111 -3.6244 -3.5792 -3.4853 -3.4698 -3.3630 -3.3068 -3.2360 -3.2129 -3.1840 -3.1689 -3.1586 -3.1298 -3.0806 -3.0464 -2.5891 -2.5123 -1.4022 -1.3174 3.7110 3.7143 4.8815 4.9094 5.5103 5.5274 7.2555 7.2575 8.3273 8.3605 8.9071 8.9111 14.9428 14.9761 15.5470 15.5619 16.3628 16.3702 18.4598 18.4693 k = 0.3966 0.2289-0.0000 ( 1511 PWs) bands (ev): -5.3260 -5.3129 -5.0993 -5.0552 -3.7288 -3.7116 -3.6225 -3.5806 -3.4814 -3.4663 -3.3570 -3.3070 -3.2342 -3.2123 -3.1818 -3.1670 -3.1573 -3.1296 -3.0769 -3.0451 -2.5388 -2.4623 -1.4048 -1.3217 3.6609 3.6641 4.8531 4.8779 5.5038 5.5222 7.2302 7.2321 8.2644 8.2967 8.8893 8.8930 14.9497 14.9814 15.5418 15.5560 16.3158 16.3228 18.4732 18.4817 k = 0.4052 0.2339-0.0000 ( 1515 PWs) bands (ev): -5.3144 -5.3015 -5.0964 -5.0549 -3.7280 -3.7121 -3.6206 -3.5822 -3.4777 -3.4632 -3.3516 -3.3074 -3.2324 -3.2120 -3.1795 -3.1652 -3.1559 -3.1295 -3.0733 -3.0439 -2.4877 -2.4118 -1.4102 -1.3289 3.6132 3.6163 4.8164 4.8382 5.5120 5.5315 7.2067 7.2085 8.2030 8.2343 8.8728 8.8762 14.9538 14.9836 15.5383 15.5516 16.2725 16.2791 18.4867 18.4943 k = 0.4138 0.2389-0.0000 ( 1515 PWs) bands (ev): -5.3038 -5.2913 -5.0934 -5.0549 -3.7273 -3.7126 -3.6188 -3.5839 -3.4741 -3.4604 -3.3467 -3.3078 -3.2306 -3.2119 -3.1773 -3.1637 -3.1545 -3.1297 -3.0698 -3.0430 -2.4361 -2.3613 -1.4182 -1.3391 3.5687 3.5716 4.7742 4.7933 5.5315 5.5516 7.1852 7.1868 8.1436 8.1735 8.8576 8.8608 14.9558 14.9834 15.5360 15.5483 16.2330 16.2392 18.5003 18.5070 k = 0.4224 0.2439-0.0000 ( 1523 PWs) bands (ev): -5.2942 -5.2822 -5.0906 -5.0551 -3.7266 -3.7133 -3.6171 -3.5856 -3.4708 -3.4581 -3.3424 -3.3083 -3.2289 -3.2119 -3.1751 -3.1624 -3.1531 -3.1300 -3.0665 -3.0422 -2.3846 -2.3114 -1.4287 -1.3521 3.5280 3.5305 4.7293 4.7460 5.5585 5.5786 7.1656 7.1671 8.0867 8.1151 8.8437 8.8465 14.9563 14.9815 15.5346 15.5457 16.1974 16.2031 18.5136 18.5195 k = 0.4310 0.2489-0.0000 ( 1523 PWs) bands (ev): -5.2855 -5.2743 -5.0878 -5.0556 -3.7258 -3.7139 -3.6154 -3.5874 -3.4676 -3.4561 -3.3384 -3.3089 -3.2273 -3.2120 -3.1730 -3.1613 -3.1516 -3.1305 -3.0633 -3.0417 -2.3335 -2.2625 -1.4414 -1.3677 3.4914 3.4937 4.6843 4.6988 5.5901 5.6096 7.1479 7.1493 8.0331 8.0596 8.8312 8.8338 14.9557 14.9784 15.5336 15.5436 16.1658 16.1710 18.5265 18.5316 k = 0.4397 0.2538-0.0000 ( 1515 PWs) bands (ev): -5.2777 -5.2675 -5.0848 -5.0562 -3.7250 -3.7145 -3.6136 -3.5891 -3.4647 -3.4544 -3.3348 -3.3096 -3.2256 -3.2123 -3.1709 -3.1604 -3.1499 -3.1310 -3.0602 -3.0413 -2.2834 -2.2154 -1.4559 -1.3858 3.4591 3.4611 4.6412 4.6537 5.6235 5.6420 7.1324 7.1337 7.9835 8.0077 8.8202 8.8224 14.9546 14.9746 15.5331 15.5417 16.1383 16.1429 18.5387 18.5431 k = 0.4483 0.2588-0.0000 ( 1515 PWs) bands (ev): -5.2709 -5.2618 -5.0821 -5.0571 -3.7243 -3.7152 -3.6118 -3.5909 -3.4621 -3.4531 -3.3316 -3.3104 -3.2241 -3.2126 -3.1690 -3.1598 -3.1483 -3.1318 -3.0573 -3.0411 -2.2352 -2.1711 -1.4715 -1.4059 3.4313 3.4330 4.6014 4.6120 5.6568 5.6737 7.1189 7.1200 7.9385 7.9602 8.8106 8.8125 14.9531 14.9704 15.5325 15.5400 16.1147 16.1187 18.5499 18.5536 k = 0.4569 0.2638-0.0000 ( 1515 PWs) bands (ev): -5.2651 -5.2572 -5.0794 -5.0583 -3.7235 -3.7159 -3.6101 -3.5927 -3.4597 -3.4522 -3.3286 -3.3113 -3.2227 -3.2131 -3.1672 -3.1594 -3.1466 -3.1326 -3.0547 -3.0412 -2.1894 -2.1308 -1.4873 -1.4274 3.4080 3.4095 4.5661 4.5749 5.6883 5.7032 7.1073 7.1083 7.8989 7.9177 8.8024 8.8041 14.9517 14.9661 15.5321 15.5383 16.0950 16.0983 18.5599 18.5629 k = 0.4655 0.2688-0.0000 ( 1517 PWs) bands (ev): -5.2601 -5.2536 -5.0767 -5.0597 -3.7227 -3.7167 -3.6084 -3.5946 -3.4576 -3.4516 -3.3260 -3.3123 -3.2213 -3.2137 -3.1655 -3.1593 -3.1449 -3.1337 -3.0523 -3.0415 -2.1472 -2.0957 -1.5019 -1.4495 3.3892 3.3903 4.5362 4.5432 5.7165 5.7290 7.0979 7.0987 7.8656 7.8811 8.7957 8.7970 14.9505 14.9621 15.5317 15.5366 16.0791 16.0818 18.5684 18.5708 k = 0.4741 0.2737-0.0000 ( 1513 PWs) bands (ev): -5.2560 -5.2511 -5.0741 -5.0612 -3.7220 -3.7174 -3.6067 -3.5963 -3.4558 -3.4512 -3.3236 -3.3134 -3.2200 -3.2143 -3.1641 -3.1593 -3.1433 -3.1347 -3.0501 -3.0420 -2.1098 -2.0677 -1.5139 -1.4711 3.3747 3.3755 4.5125 4.5178 5.7402 5.7500 7.0906 7.0912 7.8392 7.8512 8.7906 8.7916 14.9498 14.9585 15.5315 15.5352 16.0669 16.0690 18.5754 18.5771 k = 0.4828 0.2787-0.0000 ( 1505 PWs) bands (ev): -5.2528 -5.2495 -5.0716 -5.0630 -3.7211 -3.7181 -3.6049 -3.5980 -3.4542 -3.4512 -3.3214 -3.3146 -3.2188 -3.2150 -3.1627 -3.1595 -3.1416 -3.1359 -3.0482 -3.0427 -2.0787 -2.0486 -1.5215 -1.4909 3.3645 3.3651 4.4954 4.4989 5.7584 5.7651 7.0854 7.0858 7.8205 7.8286 8.7870 8.7877 14.9496 14.9554 15.5315 15.5339 16.0584 16.0598 18.5806 18.5818 k = 0.4914 0.2837-0.0000 ( 1501 PWs) bands (ev): -5.2505 -5.2488 -5.0692 -5.0649 -3.7204 -3.7188 -3.6032 -3.5998 -3.4530 -3.4515 -3.3194 -3.3161 -3.2177 -3.2158 -3.1615 -3.1599 -3.1400 -3.1372 -3.0464 -3.0437 -2.0557 -2.0398 -1.5232 -1.5072 3.3585 3.3588 4.4854 4.4872 5.7704 5.7738 7.0823 7.0825 7.8099 7.8140 8.7849 8.7852 14.9501 14.9530 15.5317 15.5329 16.0535 16.0542 18.5840 18.5845 k = 0.5000 0.2887-0.0000 ( 1504 PWs) bands (ev): -5.2492 -5.2492 -5.0670 -5.0670 -3.7196 -3.7196 -3.6015 -3.6015 -3.4521 -3.4521 -3.3177 -3.3177 -3.2168 -3.2168 -3.1606 -3.1606 -3.1386 -3.1386 -3.0450 -3.0450 -2.0423 -2.0423 -1.5183 -1.5183 3.3566 3.3566 4.4826 4.4826 5.7756 5.7756 7.0813 7.0813 7.8076 7.8076 8.7843 8.7843 14.9512 14.9512 15.5321 15.5321 16.0521 16.0521 18.5852 18.5852 k = 0.5000 0.2887-0.0000 ( 1504 PWs) bands (ev): -5.2492 -5.2492 -5.0670 -5.0670 -3.7196 -3.7196 -3.6015 -3.6015 -3.4521 -3.4521 -3.3177 -3.3177 -3.2168 -3.2168 -3.1606 -3.1606 -3.1386 -3.1386 -3.0450 -3.0450 -2.0423 -2.0423 -1.5183 -1.5183 3.3566 3.3566 4.4826 4.4826 5.7756 5.7756 7.0813 7.0813 7.8076 7.8076 8.7843 8.7843 14.9512 14.9512 15.5321 15.5321 16.0521 16.0521 18.5852 18.5852 k = 0.4949 0.2974-0.0000 ( 1504 PWs) bands (ev): -5.2490 -5.2490 -5.0684 -5.0655 -3.7207 -3.7184 -3.6024 -3.6006 -3.4586 -3.4457 -3.3210 -3.3145 -3.2172 -3.2164 -3.1617 -3.1595 -3.1390 -3.1382 -3.0464 -3.0438 -2.0418 -2.0417 -1.5187 -1.5170 3.3576 3.3577 4.4830 4.4833 5.7760 5.7765 7.0746 7.0781 7.8069 7.8074 8.7796 8.7802 14.9576 14.9595 15.5367 15.5370 16.0506 16.0513 18.5846 18.5847 k = 0.4899 0.3062-0.0000 ( 1504 PWs) bands (ev): -5.2484 -5.2483 -5.0698 -5.0640 -3.7217 -3.7171 -3.6032 -3.5997 -3.4651 -3.4395 -3.3242 -3.3113 -3.2177 -3.2161 -3.1629 -3.1585 -3.1393 -3.1377 -3.0479 -3.0428 -2.0401 -2.0399 -1.5181 -1.5146 3.3605 3.3608 4.4844 4.4850 5.7777 5.7788 7.0580 7.0650 7.8051 7.8061 8.7661 8.7673 14.9786 14.9824 15.5505 15.5512 16.0470 16.0483 18.5828 18.5829 k = 0.4848 0.3149-0.0000 ( 1504 PWs) bands (ev): -5.2474 -5.2472 -5.0712 -5.0626 -3.7225 -3.7156 -3.6041 -3.5989 -3.4716 -3.4335 -3.3274 -3.3081 -3.2182 -3.2158 -3.1639 -3.1575 -3.1395 -3.1372 -3.0497 -3.0421 -2.0373 -2.0370 -1.5165 -1.5113 3.3656 3.3659 4.4868 4.4877 5.7806 5.7824 7.0318 7.0423 7.8023 7.8037 8.7441 8.7460 15.0140 15.0196 15.5734 15.5744 16.0412 16.0432 18.5799 18.5800 k = 0.4798 0.3237-0.0000 ( 1504 PWs) bands (ev): -5.2460 -5.2458 -5.0725 -5.0611 -3.7231 -3.7141 -3.6049 -3.5981 -3.4780 -3.4277 -3.3306 -3.3051 -3.2189 -3.2156 -3.1648 -3.1565 -3.1397 -3.1366 -3.0517 -3.0416 -2.0334 -2.0329 -1.5139 -1.5069 3.3726 3.3731 4.4901 4.4915 5.7846 5.7872 6.9965 7.0105 7.7984 7.8002 8.7139 8.7163 15.0635 15.0708 15.6048 15.6062 16.0335 16.0362 18.5757 18.5759 k = 0.4747 0.3324-0.0000 ( 1500 PWs) bands (ev): -5.2441 -5.2439 -5.0736 -5.0594 -3.7237 -3.7124 -3.6057 -3.5973 -3.4844 -3.4221 -3.3336 -3.3021 -3.2196 -3.2154 -3.1657 -3.1556 -3.1398 -3.1361 -3.0537 -3.0413 -2.0284 -2.0277 -1.5103 -1.5017 3.3817 3.3824 4.4945 4.4961 5.7896 5.7930 6.9530 6.9705 7.7933 7.7955 8.6759 8.6787 15.1265 15.1354 15.6440 15.6458 16.0241 16.0275 18.5704 18.5707 k = 0.4697 0.3412-0.0000 ( 1504 PWs) bands (ev): -5.2420 -5.2417 -5.0749 -5.0578 -3.7241 -3.7107 -3.6065 -3.5965 -3.4908 -3.4171 -3.3364 -3.2993 -3.2204 -3.2152 -3.1664 -3.1549 -3.1399 -3.1355 -3.0560 -3.0412 -2.0224 -2.0214 -1.5060 -1.4956 3.3929 3.3936 4.4997 4.5017 5.7952 5.7995 6.9017 6.9228 7.7871 7.7897 8.6306 8.6338 15.2022 15.2125 15.6897 15.6921 16.0137 16.0178 18.5639 18.5641 k = 0.4646 0.3499-0.0000 ( 1504 PWs) bands (ev): -5.2394 -5.2391 -5.0760 -5.0562 -3.7245 -3.7090 -3.6071 -3.5957 -3.4970 -3.4124 -3.3389 -3.2965 -3.2214 -3.2152 -3.1669 -3.1542 -3.1399 -3.1349 -3.0584 -3.0413 -2.0152 -2.0139 -1.5008 -1.4888 3.4060 3.4069 4.5058 4.5081 5.8011 5.8066 6.8439 6.8686 7.7797 7.7826 8.5786 8.5821 15.2899 15.3016 15.7400 15.7430 16.0038 16.0088 18.5562 18.5565 k = 0.4596 0.3587-0.0000 ( 1500 PWs) bands (ev): -5.2365 -5.2361 -5.0772 -5.0547 -3.7246 -3.7071 -3.6076 -3.5950 -3.5030 -3.4084 -3.3409 -3.2937 -3.2224 -3.2151 -3.1672 -3.1536 -3.1398 -3.1343 -3.0609 -3.0416 -2.0069 -2.0053 -1.4949 -1.4812 3.4213 3.4223 4.5127 4.5153 5.8068 5.8137 6.7808 6.8092 7.7710 7.7742 8.5207 8.5243 15.3887 15.4016 15.7905 15.7942 15.9981 16.0040 18.5472 18.5476 k = 0.4545 0.3674-0.0000 ( 1500 PWs) bands (ev): -5.2333 -5.2329 -5.0783 -5.0531 -3.7247 -3.7053 -3.6080 -3.5943 -3.5089 -3.4052 -3.3424 -3.2911 -3.2235 -3.2151 -3.1673 -3.1531 -3.1397 -3.1336 -3.0635 -3.0422 -1.9976 -1.9955 -1.4883 -1.4731 3.4385 3.4397 4.5203 4.5232 5.8116 5.8200 6.7139 6.7460 7.7610 7.7644 8.4574 8.4609 15.4978 15.5116 15.8319 15.8360 16.0056 16.0119 18.5372 18.5375 k = 0.4495 0.3762-0.0000 ( 1498 PWs) bands (ev): -5.2298 -5.2293 -5.0795 -5.0515 -3.7247 -3.7035 -3.6083 -3.5936 -3.5146 -3.4028 -3.3432 -3.2885 -3.2247 -3.2152 -3.1672 -3.1528 -3.1394 -3.1329 -3.0662 -3.0430 -1.9872 -1.9846 -1.4813 -1.4644 3.4579 3.4592 4.5285 4.5317 5.8143 5.8246 6.6450 6.6810 7.7495 7.7530 8.3895 8.3928 15.6160 15.6307 15.8514 15.8544 16.0397 16.0450 18.5259 18.5263 k = 0.4444 0.3849-0.0000 ( 1496 PWs) bands (ev): -5.2259 -5.2254 -5.0805 -5.0499 -3.7246 -3.7018 -3.6083 -3.5929 -3.5201 -3.4014 -3.3431 -3.2861 -3.2260 -3.2154 -3.1668 -3.1527 -3.1392 -3.1321 -3.0690 -3.0439 -1.9757 -1.9727 -1.4737 -1.4552 3.4793 3.4808 4.5372 4.5406 5.8137 5.8261 6.5764 6.6164 7.7365 7.7399 8.3179 8.3207 15.7423 15.7576 15.8480 15.8495 16.0997 16.1034 18.5135 18.5139 k = 0.4394 0.3936-0.0000 ( 1492 PWs) bands (ev): -5.2219 -5.2213 -5.0816 -5.0483 -3.7244 -3.7001 -3.6081 -3.5922 -3.5253 -3.4010 -3.3422 -3.2837 -3.2273 -3.2156 -3.1663 -3.1527 -3.1389 -3.1311 -3.0718 -3.0451 -1.9633 -1.9596 -1.4659 -1.4458 3.5027 3.5045 4.5463 4.5500 5.8078 5.8223 6.5109 6.5548 7.7217 7.7250 8.2434 8.2454 15.8298 15.8299 15.8776 15.8929 16.1746 16.1771 18.4998 18.5003 k = 0.4343 0.4024-0.0000 ( 1492 PWs) bands (ev): -5.2176 -5.2170 -5.0827 -5.0468 -3.7241 -3.6987 -3.6077 -3.5915 -3.5304 -3.4015 -3.3406 -3.2815 -3.2287 -3.2159 -3.1655 -3.1529 -3.1385 -3.1302 -3.0746 -3.0464 -1.9498 -1.9455 -1.4579 -1.4362 3.5282 3.5302 4.5556 4.5595 5.7942 5.8105 6.4520 6.4993 7.7051 7.7079 8.1668 8.1677 15.8058 15.8060 16.0166 16.0325 16.2573 16.2591 18.4850 18.4855 k = 0.4293 0.4111-0.0000 ( 1496 PWs) bands (ev): -5.2131 -5.2125 -5.0839 -5.0454 -3.7238 -3.6974 -3.6070 -3.5909 -3.5351 -3.4029 -3.3382 -3.2794 -3.2302 -3.2163 -3.1646 -3.1533 -3.1382 -3.1292 -3.0774 -3.0480 -1.9354 -1.9304 -1.4499 -1.4266 3.5558 3.5579 4.5650 4.5691 5.7706 5.7878 6.4033 6.4531 7.6865 7.6883 8.0884 8.0891 15.7771 15.7775 16.1612 16.1774 16.3448 16.3460 18.4690 18.4695 k = 0.4242 0.4199-0.0000 ( 1496 PWs) bands (ev): -5.2085 -5.2078 -5.0850 -5.0440 -3.7233 -3.6964 -3.6060 -3.5902 -3.5396 -3.4048 -3.3354 -3.2774 -3.2316 -3.2168 -3.1635 -3.1538 -3.1378 -3.1280 -3.0802 -3.0496 -1.9200 -1.9142 -1.4419 -1.4171 3.5854 3.5878 4.5742 4.5785 5.7350 5.7518 6.3682 6.4189 7.6655 7.6658 8.0084 8.0114 15.7457 15.7461 16.3096 16.3261 16.4354 16.4360 18.4519 18.4524 k = 0.4192 0.4286-0.0000 ( 1494 PWs) bands (ev): -5.2038 -5.2030 -5.0862 -5.0426 -3.7228 -3.6955 -3.6047 -3.5896 -3.5438 -3.4071 -3.3322 -3.2755 -3.2330 -3.2173 -3.1621 -3.1544 -3.1373 -3.1269 -3.0829 -3.0513 -1.9036 -1.8971 -1.4343 -1.4079 3.6172 3.6198 4.5832 4.5876 5.6869 5.7019 6.3478 6.3980 7.6399 7.6417 7.9289 7.9350 15.7123 15.7127 16.4600 16.4773 16.5277 16.5287 18.4338 18.4343 k = 0.4141 0.4374-0.0000 ( 1490 PWs) bands (ev): -5.1989 -5.1981 -5.0873 -5.0414 -3.7223 -3.6949 -3.6032 -3.5889 -3.5477 -3.4097 -3.3287 -3.2738 -3.2343 -3.2180 -3.1607 -3.1552 -3.1368 -3.1257 -3.0854 -3.0532 -1.8864 -1.8790 -1.4271 -1.3991 3.6509 3.6538 4.5916 4.5962 5.6273 5.6393 6.3415 6.3900 7.6096 7.6147 7.8509 7.8613 15.6776 15.6778 16.6032 16.6192 16.6309 16.6313 18.4147 18.4151 k = 0.4091 0.4461-0.0000 ( 1494 PWs) bands (ev): -5.1940 -5.1932 -5.0886 -5.0402 -3.7217 -3.6946 -3.6014 -3.5882 -3.5514 -3.4124 -3.3251 -3.2722 -3.2357 -3.2188 -3.1591 -3.1560 -3.1363 -3.1246 -3.0879 -3.0552 -1.8682 -1.8601 -1.4205 -1.3909 3.6868 3.6899 4.5992 4.6039 5.5581 5.5668 6.3471 6.3933 7.5739 7.5834 7.7760 7.7920 15.6419 15.6420 16.7076 16.7123 16.7728 16.7828 18.3947 18.3951 k = 0.4040 0.4549-0.0000 ( 1498 PWs) bands (ev): -5.1891 -5.1884 -5.0899 -5.0391 -3.7210 -3.6945 -3.5994 -3.5876 -3.5548 -3.4152 -3.3214 -3.2709 -3.2369 -3.2196 -3.1574 -3.1569 -3.1358 -3.1236 -3.0901 -3.0573 -1.8492 -1.8402 -1.4146 -1.3834 3.7248 3.7282 4.6059 4.6106 5.4821 5.4875 6.3622 6.4062 7.5319 7.5466 7.7062 7.7287 15.6057 15.6059 16.8009 16.8040 16.9236 16.9340 18.3740 18.3744 k = 0.3990 0.4636-0.0000 ( 1498 PWs) bands (ev): -5.1841 -5.1835 -5.0912 -5.0381 -3.7203 -3.6945 -3.5972 -3.5869 -3.5578 -3.4180 -3.3178 -3.2695 -3.2381 -3.2206 -3.1577 -3.1556 -3.1353 -3.1227 -3.0921 -3.0596 -1.8294 -1.8196 -1.4098 -1.3769 3.7648 3.7685 4.6111 4.6159 5.4015 5.4040 6.3847 6.4266 7.4834 7.5029 7.6436 7.6722 15.5695 15.5700 16.8918 16.8944 17.0726 17.0823 18.3529 18.3532 k = 0.3939 0.4724-0.0000 ( 1498 PWs) bands (ev): -5.1792 -5.1786 -5.0927 -5.0372 -3.7195 -3.6948 -3.5948 -3.5862 -3.5606 -3.4207 -3.3141 -3.2685 -3.2391 -3.2217 -3.1585 -3.1538 -3.1348 -3.1221 -3.0937 -3.0618 -1.8089 -1.7982 -1.4061 -1.3715 3.8070 3.8109 4.6149 4.6196 5.3183 5.3183 6.4131 6.4532 7.4297 7.4521 7.5887 7.6216 15.5337 15.5344 16.9806 16.9827 17.2174 17.2258 18.3318 18.3319 k = 0.3889 0.4811-0.0000 ( 1498 PWs) bands (ev): -5.1743 -5.1739 -5.0942 -5.0364 -3.7187 -3.6953 -3.5924 -3.5855 -3.5632 -3.4232 -3.3104 -3.2676 -3.2400 -3.2228 -3.1593 -3.1519 -3.1342 -3.1217 -3.0949 -3.0641 -1.7876 -1.7761 -1.4038 -1.3674 3.8512 3.8555 4.6167 4.6214 5.2321 5.2343 6.4461 6.4847 7.3733 7.3964 7.5400 7.5751 15.4989 15.4997 17.0667 17.0686 17.3557 17.3627 18.3112 18.3112 k = 0.3838 0.4899-0.0000 ( 1494 PWs) bands (ev): -5.1696 -5.1693 -5.0957 -5.0357 -3.7179 -3.6960 -3.5900 -3.5848 -3.5654 -3.4255 -3.3068 -3.2670 -3.2407 -3.2240 -3.1599 -3.1499 -3.1336 -3.1217 -3.0957 -3.0664 -1.7657 -1.7535 -1.4030 -1.3647 3.8975 3.9021 4.6163 4.6209 5.1467 5.1507 6.4830 6.5205 7.3169 7.3392 7.4947 7.5307 15.4654 15.4664 17.1501 17.1517 17.4851 17.4904 18.2920 18.2921 k = 0.3788 0.4986-0.0000 ( 1494 PWs) bands (ev): -5.1650 -5.1650 -5.0974 -5.0351 -3.7170 -3.6968 -3.5876 -3.5841 -3.5674 -3.4277 -3.3033 -3.2666 -3.2413 -3.2253 -3.1605 -3.1479 -3.1331 -3.1220 -3.0959 -3.0687 -1.7432 -1.7303 -1.4039 -1.3636 3.9459 3.9508 4.6135 4.6179 5.0630 5.0685 6.5232 6.5598 7.2625 7.2834 7.4506 7.4868 15.4336 15.4347 17.2300 17.2314 17.6024 17.6059 18.2757 18.2761 k = 0.3737 0.5074-0.0000 ( 1494 PWs) bands (ev): -5.1608 -5.1605 -5.0991 -5.0346 -3.7160 -3.6977 -3.5853 -3.5834 -3.5692 -3.4295 -3.2998 -3.2666 -3.2418 -3.2267 -3.1610 -3.1459 -3.1325 -3.1228 -3.0958 -3.0711 -1.7202 -1.7068 -1.4068 -1.3643 3.9964 4.0016 4.6081 4.6123 4.9820 4.9886 6.5663 6.6021 7.2116 7.2309 7.4061 7.4424 15.4039 15.4051 17.3064 17.3075 17.7036 17.7053 18.2648 18.2654 k = 0.3687 0.5161-0.0000 ( 1494 PWs) bands (ev): -5.1569 -5.1563 -5.1008 -5.0342 -3.7150 -3.6987 -3.5832 -3.5827 -3.5708 -3.4312 -3.2965 -3.2668 -3.2421 -3.2281 -3.1613 -3.1439 -3.1320 -3.1238 -3.0952 -3.0734 -1.6968 -1.6831 -1.4117 -1.3668 4.0489 4.0545 4.5997 4.6036 4.9042 4.9118 6.6119 6.6472 7.1654 7.1831 7.3604 7.3969 15.3768 15.3779 17.3789 17.3797 17.7838 17.7838 18.2626 18.2633 k = 0.3636 0.5249-0.0000 ( 1490 PWs) bands (ev): -5.1533 -5.1524 -5.1026 -5.0339 -3.7140 -3.6998 -3.5820 -3.5813 -3.5721 -3.4325 -3.2932 -3.2673 -3.2421 -3.2295 -3.1615 -3.1420 -3.1315 -3.1249 -3.0943 -3.0756 -1.6731 -1.6593 -1.4189 -1.3712 4.1035 4.1094 4.5883 4.5919 4.8304 4.8387 6.6597 6.6947 7.1247 7.1407 7.3131 7.3498 15.3525 15.3536 17.4474 17.4479 17.8372 17.8384 18.2724 18.2730 k = 0.3586 0.5336-0.0000 ( 1482 PWs) bands (ev): -5.1500 -5.1488 -5.1043 -5.0336 -3.7128 -3.7009 -3.5813 -3.5796 -3.5733 -3.4335 -3.2901 -3.2680 -3.2419 -3.2309 -3.1616 -3.1401 -3.1310 -3.1262 -3.0932 -3.0778 -1.6492 -1.6358 -1.4284 -1.3775 4.1602 4.1663 4.5738 4.5771 4.7609 4.7698 6.7096 6.7443 7.0901 7.1046 7.2640 7.3009 15.3314 15.3324 17.5116 17.5118 17.8643 17.8662 18.2940 18.2942 k = 0.3535 0.5424-0.0000 ( 1482 PWs) bands (ev): -5.1472 -5.1457 -5.1060 -5.0334 -3.7118 -3.7021 -3.5806 -3.5783 -3.5742 -3.4344 -3.2871 -3.2691 -3.2416 -3.2324 -3.1616 -3.1383 -3.1306 -3.1276 -3.0920 -3.0799 -1.6254 -1.6130 -1.4402 -1.3855 4.2188 4.2252 4.5562 4.5592 4.6965 4.7057 6.7613 6.7959 7.0621 7.0749 7.2129 7.2501 15.3136 15.3145 17.5714 17.5714 17.8688 17.8709 18.3226 18.3230 k = 0.3485 0.5511-0.0000 ( 1482 PWs) bands (ev): -5.1448 -5.1432 -5.1076 -5.0333 -3.7106 -3.7033 -3.5800 -3.5773 -3.5750 -3.4350 -3.2842 -3.2706 -3.2410 -3.2338 -3.1616 -3.1366 -3.1303 -3.1289 -3.0907 -3.0819 -1.6019 -1.5916 -1.4544 -1.3947 4.2793 4.2858 4.5357 4.5382 4.6374 4.6468 6.8146 6.8492 7.0407 7.0519 7.1598 7.1972 15.2995 15.3002 17.6264 17.6268 17.8566 17.8586 18.3512 18.3520 k = 0.3434 0.5599-0.0000 ( 1478 PWs) bands (ev): -5.1428 -5.1413 -5.1088 -5.0332 -3.7094 -3.7045 -3.5795 -3.5765 -3.5756 -3.4353 -3.2815 -3.2723 -3.2402 -3.2352 -3.1616 -3.1351 -3.1302 -3.1300 -3.0893 -3.0837 -1.5796 -1.5727 -1.4702 -1.4041 4.3414 4.3479 4.5124 4.5145 4.5845 4.5938 6.8692 6.9039 7.0265 7.0358 7.1053 7.1425 15.2894 15.2899 17.6770 17.6777 17.8333 17.8349 18.3748 18.3756 k = 0.3384 0.5686-0.0000 ( 1470 PWs) bands (ev): -5.1413 -5.1403 -5.1096 -5.0332 -3.7081 -3.7057 -3.5792 -3.5761 -3.5759 -3.4355 -3.2789 -3.2742 -3.2392 -3.2366 -3.1615 -3.1337 -3.1314 -3.1298 -3.0879 -3.0852 -1.5604 -1.5585 -1.4859 -1.4120 4.4043 4.4099 4.4867 4.4883 4.5395 4.5477 6.9238 6.9586 7.0200 7.0245 7.0521 7.0862 15.2834 15.2836 17.7230 17.7240 17.8023 17.8036 18.3900 18.3906 k = 0.3333 0.5774-0.0000 ( 1470 PWs) bands (ev): -5.1404 -5.1404 -5.1099 -5.0332 -3.7069 -3.7069 -3.5791 -3.5760 -3.5760 -3.4355 -3.2764 -3.2764 -3.2379 -3.2379 -3.1614 -3.1325 -3.1325 -3.1298 -3.0866 -3.0866 -1.5521 -1.5521 -1.4941 -1.4153 4.4554 4.4591 4.4612 4.4612 4.5167 4.5167 6.9652 6.9977 6.9977 7.0314 7.0338 7.0338 15.2814 15.2814 17.7594 17.7616 17.7706 17.7706 18.3954 18.3954 k = 0.3333 0.5774-0.0000 ( 1470 PWs) bands (ev): -5.1404 -5.1404 -5.1099 -5.0332 -3.7069 -3.7069 -3.5791 -3.5760 -3.5760 -3.4355 -3.2764 -3.2764 -3.2379 -3.2379 -3.1614 -3.1325 -3.1325 -3.1298 -3.0866 -3.0866 -1.5521 -1.5521 -1.4941 -1.4153 4.4554 4.4591 4.4612 4.4612 4.5167 4.5167 6.9652 6.9977 6.9977 7.0314 7.0338 7.0338 15.2814 15.2814 17.7594 17.7616 17.7706 17.7706 18.3954 18.3954 k = 0.3283 0.5686-0.0000 ( 1470 PWs) bands (ev): -5.1416 -5.1401 -5.1096 -5.0332 -3.7081 -3.7057 -3.5791 -3.5762 -3.5758 -3.4355 -3.2789 -3.2741 -3.2393 -3.2365 -3.1615 -3.1335 -3.1316 -3.1298 -3.0878 -3.0854 -1.5640 -1.5561 -1.4855 -1.4114 4.4290 4.4301 4.4463 4.4577 4.5522 4.5617 6.9198 6.9603 7.0194 7.0221 7.0593 7.0842 15.2834 15.2837 17.7232 17.7241 17.8024 17.8037 18.3899 18.3908 k = 0.3232 0.5599-0.0000 ( 1478 PWs) bands (ev): -5.1437 -5.1405 -5.1089 -5.0332 -3.7094 -3.7045 -3.5794 -3.5767 -3.5756 -3.4354 -3.2817 -3.2720 -3.2406 -3.2349 -3.1616 -3.1344 -3.1312 -3.1297 -3.0888 -3.0842 -1.5888 -1.5707 -1.4673 -1.4006 4.3984 4.3992 4.4201 4.4316 4.6192 4.6292 6.8579 6.8990 7.0329 7.0345 7.1136 7.1438 15.2896 15.2902 17.6782 17.6786 17.8347 17.8363 18.3746 18.3766 k = 0.3182 0.5511-0.0000 ( 1480 PWs) bands (ev): -5.1467 -5.1414 -5.1079 -5.0332 -3.7106 -3.7032 -3.5796 -3.5774 -3.5753 -3.4353 -3.2846 -3.2700 -3.2419 -3.2331 -3.1619 -3.1351 -3.1314 -3.1294 -3.0894 -3.0831 -1.6197 -1.5935 -1.4468 -1.3851 4.3671 4.3679 4.3981 4.4091 4.6909 4.7011 6.7932 6.8347 7.0501 7.0518 7.1738 7.2055 15.3004 15.3012 17.6295 17.6296 17.8627 17.8645 18.3504 18.3536 k = 0.3131 0.5424-0.0000 ( 1478 PWs) bands (ev): -5.1504 -5.1430 -5.1067 -5.0332 -3.7118 -3.7019 -3.5798 -3.5783 -3.5750 -3.4353 -3.2876 -3.2681 -3.2431 -3.2311 -3.1622 -3.1357 -3.1321 -3.1290 -3.0897 -3.0822 -1.6546 -1.6225 -1.4260 -1.3671 4.3357 4.3367 4.3819 4.3925 4.7650 4.7755 6.7267 6.7685 7.0728 7.0739 7.2362 7.2684 15.3156 15.3167 17.5771 17.5776 17.8863 17.8883 18.3185 18.3230 k = 0.3081 0.5336-0.0000 ( 1478 PWs) bands (ev): -5.1548 -5.1453 -5.1054 -5.0332 -3.7129 -3.7007 -3.5800 -3.5795 -3.5748 -3.4352 -3.2908 -3.2663 -3.2443 -3.2290 -3.1627 -3.1362 -3.1331 -3.1288 -3.0899 -3.0813 -1.6928 -1.6561 -1.4057 -1.3482 4.3047 4.3058 4.3720 4.3821 4.8412 4.8520 6.6586 6.7008 7.1006 7.1009 7.2999 7.3324 15.3353 15.3367 17.5213 17.5224 17.9054 17.9077 18.2804 18.2861 k = 0.3030 0.5249-0.0000 ( 1486 PWs) bands (ev): -5.1598 -5.1484 -5.1043 -5.0332 -3.7141 -3.6994 -3.5808 -3.5803 -3.5746 -3.4354 -3.2942 -3.2647 -3.2455 -3.2269 -3.1634 -3.1367 -3.1343 -3.1287 -3.0898 -3.0806 -1.7339 -1.6935 -1.3862 -1.3293 4.2746 4.2759 4.3685 4.3780 4.9194 4.9305 6.5893 6.6317 7.1326 7.1331 7.3645 7.3974 15.3594 15.3610 17.4619 17.4638 17.9201 17.9226 18.2373 18.2441 k = 0.2980 0.5161-0.0000 ( 1490 PWs) bands (ev): -5.1653 -5.1521 -5.1032 -5.0332 -3.7152 -3.6982 -3.5823 -3.5805 -3.5745 -3.4356 -3.2978 -3.2631 -3.2467 -3.2247 -3.1642 -3.1372 -3.1357 -3.1288 -3.0896 -3.0800 -1.7777 -1.7342 -1.3679 -1.3109 4.2460 4.2475 4.3713 4.3804 4.9993 5.0107 6.5188 6.5615 7.1687 7.1700 7.4300 7.4631 15.3879 15.3897 17.3991 17.4018 17.9305 17.9332 18.1905 18.1984 k = 0.2929 0.5074-0.0000 ( 1498 PWs) bands (ev): -5.1713 -5.1567 -5.1023 -5.0333 -3.7163 -3.6970 -3.5840 -3.5808 -3.5745 -3.4360 -3.3014 -3.2616 -3.2479 -3.2225 -3.1651 -3.1376 -3.1373 -3.1290 -3.0892 -3.0795 -1.8240 -1.7777 -1.3508 -1.2933 4.2193 4.2210 4.3804 4.3891 5.0809 5.0927 6.4475 6.4905 7.2087 7.2107 7.4963 7.5295 15.4206 15.4226 17.3327 17.3362 17.9365 17.9394 18.1411 18.1498 k = 0.2879 0.4986-0.0000 ( 1502 PWs) bands (ev): -5.1779 -5.1619 -5.1015 -5.0334 -3.7173 -3.6959 -3.5857 -3.5811 -3.5745 -3.4365 -3.3052 -3.2602 -3.2490 -3.2204 -3.1662 -3.1391 -3.1380 -3.1294 -3.0888 -3.0792 -1.8724 -1.8236 -1.3353 -1.2770 4.1949 4.1968 4.3957 4.4039 5.1643 5.1764 6.3756 6.4188 7.2525 7.2552 7.5631 7.5964 15.4577 15.4599 17.2626 17.2670 17.9383 17.9414 18.0908 18.1001 k = 0.2828 0.4899-0.0000 ( 1498 PWs) bands (ev): -5.1850 -5.1679 -5.1009 -5.0335 -3.7183 -3.6947 -3.5875 -3.5815 -3.5744 -3.4372 -3.3090 -3.2588 -3.2500 -3.2182 -3.1674 -3.1409 -3.1385 -3.1298 -3.0882 -3.0790 -1.9227 -1.8717 -1.3213 -1.2621 4.1731 4.1753 4.4171 4.4249 5.2492 5.2616 6.3033 6.3467 7.2996 7.3030 7.6305 7.6640 15.4989 15.5013 17.1889 17.1942 17.9361 17.9392 18.0402 18.0500 k = 0.2778 0.4811-0.0000 ( 1502 PWs) bands (ev): -5.1926 -5.1747 -5.1005 -5.0337 -3.7192 -3.6936 -3.5894 -3.5819 -3.5743 -3.4381 -3.3130 -3.2575 -3.2511 -3.2162 -3.1687 -3.1429 -3.1390 -3.1305 -3.0877 -3.0790 -1.9748 -1.9215 -1.3092 -1.2488 4.1543 4.1568 4.4444 4.4518 5.3357 5.3484 6.2310 6.2745 7.3498 7.3538 7.6983 7.7319 15.5442 15.5466 17.1114 17.1177 17.9296 17.9327 17.9899 18.0001 k = 0.2727 0.4724-0.0000 ( 1502 PWs) bands (ev): -5.2009 -5.1822 -5.1003 -5.0339 -3.7202 -3.6926 -3.5914 -3.5826 -3.5742 -3.4392 -3.3171 -3.2562 -3.2521 -3.2142 -3.1701 -3.1449 -3.1396 -3.1312 -3.0873 -3.0791 -2.0283 -1.9729 -1.2990 -1.2373 4.1387 4.1415 4.4775 4.4845 5.4236 5.4365 6.1589 6.2026 7.4028 7.4073 7.7664 7.8000 15.5934 15.5959 17.0302 17.0376 17.9192 17.9218 17.9417 17.9515 k = 0.2677 0.4636-0.0000 ( 1502 PWs) bands (ev): -5.2097 -5.1906 -5.1003 -5.0343 -3.7211 -3.6916 -3.5934 -3.5834 -3.5740 -3.4405 -3.3213 -3.2550 -3.2531 -3.2124 -3.1717 -3.1470 -3.1402 -3.1321 -3.0868 -3.0794 -2.0829 -2.0256 -1.2907 -1.2277 4.1265 4.1295 4.5162 4.5227 5.5129 5.5261 6.0873 6.1311 7.4583 7.4633 7.8347 7.8684 15.6464 15.6490 16.9455 16.9539 17.8927 17.9038 17.9057 17.9096 k = 0.2626 0.4549-0.0000 ( 1502 PWs) bands (ev): -5.2192 -5.1998 -5.1005 -5.0347 -3.7219 -3.6907 -3.5955 -3.5843 -3.5737 -3.4420 -3.3256 -3.2540 -3.2539 -3.2107 -3.1734 -3.1491 -3.1410 -3.1331 -3.0865 -3.0798 -2.1385 -2.0791 -1.2845 -1.2200 4.1176 4.1209 4.5603 4.5664 5.6034 5.6168 6.0168 6.0605 7.5160 7.5215 7.9031 7.9368 15.7030 15.7056 16.8574 16.8670 17.8485 17.8598 17.8869 17.8909 k = 0.2576 0.4461-0.0000 ( 1506 PWs) bands (ev): -5.2293 -5.2098 -5.1009 -5.0353 -3.7228 -3.6899 -3.5977 -3.5855 -3.5733 -3.4438 -3.3302 -3.2550 -3.2528 -3.2092 -3.1753 -3.1513 -3.1419 -3.1344 -3.0863 -3.0803 -2.1947 -2.1334 -1.2804 -1.2144 4.1121 4.1157 4.6095 4.6152 5.6950 5.7085 5.9477 5.9913 7.5758 7.5817 7.9715 8.0052 15.7632 15.7657 16.7663 16.7768 17.8062 17.8175 17.8650 17.8689 k = 0.2525 0.4374-0.0000 ( 1514 PWs) bands (ev): -5.2402 -5.2207 -5.1016 -5.0361 -3.7237 -3.6892 -3.5999 -3.5870 -3.5728 -3.4458 -3.3349 -3.2559 -3.2518 -3.2080 -3.1774 -3.1535 -3.1430 -3.1357 -3.0862 -3.0809 -2.2512 -2.1881 -1.2785 -1.2108 4.1097 4.1136 4.6638 4.6691 5.7876 5.8001 5.8816 5.9241 7.6372 7.6435 8.0398 8.0735 15.8266 15.8291 16.6724 16.6839 17.7665 17.7778 17.8395 17.8432 k = 0.2475 0.4286-0.0000 ( 1514 PWs) bands (ev): -5.2517 -5.2324 -5.1024 -5.0370 -3.7245 -3.6886 -3.6022 -3.5886 -3.5722 -3.4481 -3.3397 -3.2568 -3.2508 -3.2069 -3.1796 -3.1557 -3.1441 -3.1371 -3.0862 -3.0817 -2.3079 -2.2428 -1.2788 -1.2094 4.1105 4.1146 4.7229 4.7278 5.8121 5.8557 5.8846 5.8984 7.7003 7.7069 8.1079 8.1416 15.8933 15.8956 16.5761 16.5885 17.7298 17.7412 17.8105 17.8141 k = 0.2424 0.4199-0.0000 ( 1514 PWs) bands (ev): -5.2640 -5.2450 -5.1034 -5.0381 -3.7253 -3.6881 -3.6045 -3.5904 -3.5714 -3.4506 -3.3447 -3.2577 -3.2500 -3.2060 -3.1820 -3.1579 -3.1454 -3.1386 -3.0863 -3.0825 -2.3643 -2.2974 -1.2812 -1.2101 4.1138 4.1181 4.7866 4.7912 5.7512 5.7956 5.9770 5.9920 7.7646 7.7715 8.1758 8.2094 15.9630 15.9651 16.4777 16.4908 17.6960 17.7075 17.7779 17.7814 k = 0.2374 0.4111-0.0000 ( 1514 PWs) bands (ev): -5.2771 -5.2585 -5.1047 -5.0393 -3.7261 -3.6878 -3.6068 -3.5924 -3.5705 -3.4534 -3.3499 -3.2586 -3.2492 -3.2054 -3.1847 -3.1601 -3.1467 -3.1402 -3.0865 -3.0834 -2.4203 -2.3515 -1.2857 -1.2129 4.1192 4.1237 4.8548 4.8590 5.6929 5.7372 6.0723 6.0874 7.8302 7.8373 8.2432 8.2768 16.0354 16.0374 16.3775 16.3913 17.6652 17.6769 17.7420 17.7454 k = 0.2323 0.4024-0.0000 ( 1508 PWs) bands (ev): -5.2909 -5.2729 -5.1062 -5.0407 -3.7269 -3.6875 -3.6092 -3.5945 -3.5695 -3.4565 -3.3553 -3.2594 -3.2484 -3.2050 -3.1874 -3.1622 -3.1481 -3.1418 -3.0869 -3.0844 -2.4756 -2.4049 -1.2923 -1.2177 4.1260 4.1308 4.9272 4.9310 5.6389 5.6830 6.1684 6.1836 7.8967 7.9040 8.3102 8.3437 16.1103 16.1121 16.2759 16.2903 17.6375 17.6495 17.7027 17.7060 k = 0.2273 0.3936-0.0000 ( 1508 PWs) bands (ev): -5.3056 -5.2882 -5.1079 -5.0423 -3.7276 -3.6874 -3.6116 -3.5969 -3.5684 -3.4599 -3.3610 -3.2603 -3.2479 -3.2049 -3.1905 -3.1644 -3.1497 -3.1435 -3.0874 -3.0854 -2.5300 -2.4573 -1.3009 -1.2244 4.1335 4.1384 5.0036 5.0071 5.5904 5.6343 6.2650 6.2804 7.9639 7.9715 8.3766 8.4099 16.1678 16.1806 16.1928 16.1964 17.6126 17.6252 17.6602 17.6638 k = 0.2222 0.3849-0.0000 ( 1506 PWs) bands (ev): -5.3212 -5.3045 -5.1098 -5.0441 -3.7284 -3.6875 -3.6141 -3.5994 -3.5671 -3.4637 -3.3670 -3.2612 -3.2474 -3.2052 -3.1938 -3.1666 -3.1514 -3.1452 -3.0879 -3.0865 -2.5832 -2.5086 -1.3114 -1.2331 4.1405 4.1457 5.0838 5.0871 5.5484 5.5919 6.3620 6.3775 8.0318 8.0395 8.4424 8.4755 16.0675 16.0833 16.2686 16.2694 17.5892 17.6032 17.6155 17.6200 k = 0.2172 0.3762-0.0000 ( 1502 PWs) bands (ev): -5.3377 -5.3217 -5.1119 -5.0462 -3.7292 -3.6877 -3.6166 -3.6021 -3.5658 -3.4679 -3.3733 -3.2621 -3.2471 -3.2057 -3.1973 -3.1687 -3.1531 -3.1469 -3.0886 -3.0876 -2.6350 -2.5585 -1.3236 -1.2435 4.1459 4.1514 5.1677 5.1707 5.5142 5.5572 6.4592 6.4749 8.1000 8.1079 8.5073 8.5403 15.9626 15.9787 16.3500 16.3505 17.5581 17.5640 17.5842 17.5884 k = 0.2121 0.3674-0.0000 ( 1506 PWs) bands (ev): -5.3550 -5.3399 -5.1142 -5.0485 -3.7300 -3.6881 -3.6192 -3.6050 -3.5644 -3.4725 -3.3799 -3.2630 -3.2470 -3.2065 -3.2010 -3.1709 -3.1549 -3.1487 -3.0893 -3.0887 -2.6852 -2.6067 -1.3375 -1.2556 4.1486 4.1545 5.2550 5.2579 5.4888 5.5312 6.5566 6.5724 8.1685 8.1764 8.5714 8.6042 15.8569 15.8734 16.4331 16.4333 17.5101 17.5124 17.5655 17.5740 k = 0.2071 0.3587-0.0000 ( 1506 PWs) bands (ev): -5.3732 -5.3589 -5.1169 -5.0511 -3.7308 -3.6886 -3.6218 -3.6080 -3.5629 -3.4776 -3.3869 -3.2640 -3.2469 -3.2077 -3.2049 -3.1731 -3.1568 -3.1504 -3.0901 -3.0899 -2.7335 -2.6531 -1.3529 -1.2692 4.1474 4.1537 5.3452 5.3485 5.4739 5.5151 6.6540 6.6698 8.2371 8.2452 8.6346 8.6672 15.7507 15.7674 16.5173 16.5175 17.4559 17.4577 17.5539 17.5635 k = 0.2020 0.3499-0.0000 ( 1506 PWs) bands (ev): -5.3924 -5.3790 -5.1196 -5.0539 -3.7316 -3.6893 -3.6245 -3.6112 -3.5614 -3.4831 -3.3942 -3.2651 -3.2471 -3.2093 -3.2090 -3.1752 -3.1587 -3.1520 -3.0910 -3.0910 -2.7798 -2.6974 -1.3697 -1.2842 4.1414 4.1482 5.4352 5.4422 5.4734 5.5098 6.7512 6.7671 8.3057 8.3138 8.6968 8.7291 15.6441 15.6611 16.6019 16.6024 17.3988 17.4006 17.5466 17.5567 k = 0.1970 0.3412-0.0000 ( 1506 PWs) bands (ev): -5.4124 -5.4000 -5.1226 -5.0569 -3.7324 -3.6901 -3.6273 -3.6145 -3.5599 -3.4892 -3.4019 -3.2663 -3.2475 -3.2132 -3.2111 -3.1774 -3.1607 -3.1536 -3.0922 -3.0918 -2.8240 -2.7396 -1.3877 -1.3004 4.1297 4.1372 5.4722 5.5158 5.5392 5.5405 6.8480 6.8640 8.3740 8.3822 8.7579 8.7899 15.5373 15.5544 16.6862 16.6870 17.3400 17.3419 17.5432 17.5537 k = 0.1919 0.3324-0.0000 ( 1502 PWs) bands (ev): -5.4333 -5.4218 -5.1258 -5.0601 -3.7332 -3.6911 -3.6301 -3.6178 -3.5583 -3.4959 -3.4100 -3.2676 -3.2480 -3.2174 -3.2132 -3.1796 -3.1627 -3.1552 -3.0934 -3.0926 -2.8658 -2.7794 -1.4067 -1.3178 4.1122 4.1203 5.4926 5.5338 5.6387 5.6389 6.9444 6.9604 8.4420 8.4502 8.8179 8.8495 15.4305 15.4477 16.7686 16.7693 17.2815 17.2833 17.5438 17.5546 k = 0.1869 0.3237-0.0000 ( 1498 PWs) bands (ev): -5.4551 -5.4446 -5.1291 -5.0637 -3.7340 -3.6923 -3.6329 -3.6213 -3.5569 -3.5031 -3.4184 -3.2692 -3.2488 -3.2217 -3.2156 -3.1818 -3.1648 -3.1567 -3.0946 -3.0933 -2.9051 -2.8166 -1.4266 -1.3362 4.0887 4.0975 5.5236 5.5634 5.7412 5.7412 7.0401 7.0561 8.5095 8.5177 8.8766 8.9079 15.3236 15.3408 16.8449 16.8449 17.2275 17.2286 17.5483 17.5594 k = 0.1818 0.3149-0.0000 ( 1498 PWs) bands (ev): -5.4777 -5.4681 -5.1327 -5.0675 -3.7348 -3.6936 -3.6358 -3.6249 -3.5555 -3.5111 -3.4271 -3.2710 -3.2499 -3.2260 -3.2183 -3.1841 -3.1669 -3.1582 -3.0959 -3.0939 -2.9417 -2.8513 -1.4473 -1.3554 4.0598 4.0692 5.5656 5.6041 5.8461 5.8462 7.1350 7.1510 8.5764 8.5845 8.9340 8.9649 15.2167 15.2339 16.9019 16.9041 17.1889 17.1899 17.5569 17.5682 k = 0.1768 0.3062-0.0000 ( 1498 PWs) bands (ev): -5.5012 -5.4925 -5.1365 -5.0715 -3.7357 -3.6951 -3.6388 -3.6285 -3.5544 -3.5197 -3.4360 -3.2731 -3.2512 -3.2301 -3.2211 -3.1864 -3.1691 -3.1597 -3.0972 -3.0944 -2.9757 -2.8833 -1.4686 -1.3753 4.0259 4.0360 5.6179 5.6553 5.9535 5.9538 7.2289 7.2449 8.6424 8.6505 8.9901 9.0206 15.1099 15.1270 16.9167 16.9225 17.1876 17.1922 17.5697 17.5811 k = 0.1717 0.2974-0.0000 ( 1501 PWs) bands (ev): -5.5253 -5.5175 -5.1405 -5.0759 -3.7365 -3.6967 -3.6419 -3.6323 -3.5537 -3.5289 -3.4449 -3.2758 -3.2529 -3.2340 -3.2242 -3.1889 -3.1712 -3.1612 -3.0986 -3.0947 -3.0069 -2.9125 -1.4904 -1.3958 3.9879 3.9985 5.6798 5.7161 6.0631 6.0635 7.3217 7.3377 8.7076 8.7156 9.0448 9.0748 15.0032 15.0202 16.8823 16.8904 17.2344 17.2413 17.5867 17.5982 k = 0.1667 0.2887-0.0000 ( 1505 PWs) bands (ev): -5.5502 -5.5433 -5.1446 -5.0805 -3.7374 -3.6985 -3.6450 -3.6361 -3.5535 -3.5388 -3.4537 -3.2789 -3.2549 -3.2376 -3.2274 -3.1916 -3.1734 -3.1627 -3.1003 -3.0950 -3.0352 -2.9389 -1.5125 -1.4168 3.9466 3.9576 5.7502 5.7856 6.1749 6.1754 7.4133 7.4291 8.7718 8.7797 9.0980 9.1275 14.8967 14.9135 16.8205 16.8296 17.3075 17.3154 17.6081 17.6197 k = 0.1616 0.2799-0.0000 ( 1513 PWs) bands (ev): -5.5757 -5.5696 -5.1489 -5.0854 -3.7383 -3.7005 -3.6482 -3.6400 -3.5541 -3.5493 -3.4620 -3.2826 -3.2572 -3.2407 -3.2307 -3.1945 -3.1756 -3.1642 -3.1022 -3.0951 -3.0606 -2.9625 -1.5348 -1.4381 3.9027 3.9139 5.8284 5.8629 6.2886 6.2892 7.5033 7.5191 8.8347 8.8426 9.1496 9.1787 14.7904 14.8070 16.7460 16.7558 17.3909 17.3993 17.6340 17.6455 k = 0.1566 0.2712-0.0000 ( 1511 PWs) bands (ev): -5.6017 -5.5964 -5.1534 -5.0905 -3.7391 -3.7025 -3.6514 -3.6438 -3.5603 -3.5558 -3.4695 -3.2869 -3.2597 -3.2434 -3.2340 -3.1977 -3.1778 -3.1657 -3.1043 -3.0954 -3.0827 -2.9831 -1.5571 -1.4597 3.8568 3.8682 5.9135 5.9472 6.4041 6.4049 7.5919 7.6076 8.8966 8.9043 9.1999 9.2283 14.6844 14.7007 16.6648 16.6753 17.4787 17.4875 17.6647 17.6758 k = 0.1515 0.2624-0.0000 ( 1515 PWs) bands (ev): -5.6282 -5.6236 -5.1580 -5.0959 -3.7400 -3.7048 -3.6547 -3.6477 -3.5718 -3.5588 -3.4757 -3.2917 -3.2627 -3.2456 -3.2374 -3.2014 -3.1799 -3.1672 -3.1068 -3.1040 -3.0933 -3.0010 -1.5794 -1.4813 3.8096 3.8211 6.0046 6.0376 6.5213 6.5222 7.6788 7.6944 8.9569 8.9645 9.2485 9.2764 14.5785 14.5945 16.5792 16.5902 17.5682 17.5768 17.7004 17.7108 k = 0.1465 0.2537-0.0000 ( 1519 PWs) bands (ev): -5.6550 -5.6512 -5.1628 -5.1015 -3.7409 -3.7071 -3.6580 -3.6516 -3.5835 -3.5634 -3.4804 -3.2971 -3.2660 -3.2474 -3.2408 -3.2056 -3.1819 -3.1687 -3.1201 -3.1099 -3.0933 -3.0161 -1.6015 -1.5030 3.7616 3.7730 6.1011 6.1334 6.6400 6.6409 7.7638 7.7793 9.0158 9.0233 9.2955 9.3228 14.4728 14.4886 16.4901 16.5018 17.6583 17.6656 17.7421 17.7504 k = 0.1414 0.2449-0.0000 ( 1519 PWs) bands (ev): -5.6822 -5.6789 -5.1677 -5.1073 -3.7417 -3.7095 -3.6613 -3.6555 -3.5955 -3.5696 -3.4835 -3.3027 -3.2696 -3.2489 -3.2443 -3.2105 -3.1839 -3.1702 -3.1338 -3.1135 -3.0926 -3.0286 -1.6234 -1.5247 3.7132 3.7245 6.2024 6.2341 6.7600 6.7610 7.8469 7.8623 9.0732 9.0805 9.3409 9.3676 14.3674 14.3828 16.3983 16.4106 17.7478 17.7490 17.7939 17.7953 k = 0.1364 0.2362-0.0000 ( 1519 PWs) bands (ev): -5.7095 -5.7068 -5.1727 -5.1134 -3.7425 -3.7121 -3.6646 -3.6593 -3.6075 -3.5771 -3.4850 -3.3087 -3.2735 -3.2500 -3.2478 -3.2159 -3.1858 -3.1718 -3.1449 -3.1176 -3.0917 -3.0386 -1.6449 -1.5462 3.6648 3.6760 6.3079 6.3389 6.8811 6.8821 7.9281 7.9433 9.1289 9.1361 9.3847 9.4107 14.2621 14.2771 16.3042 16.3170 17.8168 17.8319 17.8498 17.8655 k = 0.1313 0.2274-0.0000 ( 1511 PWs) bands (ev): -5.7369 -5.7348 -5.1777 -5.1196 -3.7433 -3.7147 -3.6679 -3.6631 -3.6194 -3.5857 -3.4852 -3.3147 -3.2777 -3.2515 -3.2508 -3.2217 -3.1875 -3.1733 -3.1533 -3.1221 -3.0906 -3.0462 -1.6660 -1.5676 3.6167 3.6277 6.4170 6.4475 7.0031 7.0042 8.0072 8.0223 9.1829 9.1900 9.4269 9.4522 14.1571 14.1716 16.2079 16.2213 17.8755 17.8934 17.9309 17.9502 k = 0.1263 0.2187-0.0000 ( 1511 PWs) bands (ev): -5.7643 -5.7626 -5.1829 -5.1260 -3.7441 -3.7174 -3.6713 -3.6669 -3.6311 -3.5949 -3.4844 -3.3208 -3.2821 -3.2555 -3.2515 -3.2275 -3.1893 -3.1750 -3.1597 -3.1270 -3.0893 -3.0521 -1.6866 -1.5886 3.5692 3.5799 6.5293 6.5593 7.1258 7.1268 8.0842 8.0992 9.2351 9.2420 9.4674 9.4920 14.0522 14.0662 16.1099 16.1238 17.9354 17.9524 18.0180 18.0371 k = 0.1212 0.2099-0.0000 ( 1511 PWs) bands (ev): -5.7916 -5.7903 -5.1881 -5.1326 -3.7448 -3.7202 -3.6747 -3.6707 -3.6426 -3.6046 -3.4827 -3.3269 -3.2869 -3.2598 -3.2521 -3.2330 -3.1909 -3.1769 -3.1644 -3.1320 -3.0879 -3.0564 -1.7066 -1.6094 3.5226 3.5329 6.6443 6.6737 7.2489 7.2498 8.1591 8.1740 9.2855 9.2922 9.5063 9.5301 13.9474 13.9610 16.0103 16.0246 17.9989 18.0152 18.1042 18.1235 k = 0.1162 0.2012-0.0000 ( 1513 PWs) bands (ev): -5.8186 -5.8178 -5.1933 -5.1393 -3.7455 -3.7230 -3.6782 -3.6744 -3.6537 -3.6144 -3.4805 -3.3329 -3.2919 -3.2645 -3.2525 -3.2379 -3.1924 -3.1789 -3.1676 -3.1369 -3.0863 -3.0595 -1.7260 -1.6298 3.4769 3.4869 6.7615 6.7903 7.3720 7.3728 8.2320 8.2467 9.3338 9.3404 9.5434 9.5665 13.8427 13.8558 15.9093 15.9241 18.0665 18.0823 18.1890 18.2085 k = 0.1111 0.1925-0.0000 ( 1511 PWs) bands (ev): -5.8453 -5.8448 -5.1985 -5.1461 -3.7462 -3.7259 -3.6818 -3.6781 -3.6643 -3.6240 -3.4777 -3.3388 -3.2971 -3.2695 -3.2528 -3.2420 -3.1939 -3.1810 -3.1699 -3.1417 -3.0846 -3.0617 -1.7446 -1.6497 3.4324 3.4420 6.8805 6.9088 7.4949 7.4955 8.3030 8.3176 9.3802 9.3866 9.5790 9.6012 13.7382 13.7507 15.8073 15.8223 18.1383 18.1537 18.2719 18.2919 k = 0.1061 0.1837-0.0000 ( 1507 PWs) bands (ev): -5.8716 -5.8714 -5.2037 -5.1529 -3.7468 -3.7288 -3.6855 -3.6817 -3.6740 -3.6334 -3.4746 -3.3444 -3.3024 -3.2747 -3.2531 -3.2455 -3.1952 -3.1830 -3.1716 -3.1462 -3.0829 -3.0632 -1.7626 -1.6692 3.3892 3.3984 7.0010 7.0287 7.6171 7.6175 8.3723 8.3867 9.4246 9.4308 9.6129 9.6343 13.6338 13.6457 15.7043 15.7197 18.2143 18.2293 18.3526 18.3728 k = 0.1010 0.1750-0.0000 ( 1515 PWs) bands (ev): -5.8974 -5.8973 -5.2088 -5.1599 -3.7474 -3.7318 -3.6900 -3.6853 -3.6826 -3.6425 -3.4713 -3.3498 -3.3080 -3.2801 -3.2533 -3.2484 -3.1964 -3.1849 -3.1729 -3.1505 -3.0811 -3.0642 -1.7797 -1.6882 3.3475 3.3563 7.1223 7.1494 7.7380 7.7381 8.4400 8.4544 9.4668 9.4728 9.6451 9.6657 13.5294 13.5407 15.6006 15.6163 18.2942 18.3087 18.4307 18.4511 k = 0.0960 0.1662-0.0000 ( 1515 PWs) bands (ev): -5.9227 -5.9224 -5.2139 -5.1669 -3.7479 -3.7348 -3.6962 -3.6889 -3.6887 -3.6511 -3.4676 -3.3550 -3.3136 -3.2855 -3.2535 -3.2507 -3.1975 -3.1867 -3.1739 -3.1543 -3.0793 -3.0647 -1.7960 -1.7067 3.3073 3.3156 7.2441 7.2706 7.8567 7.8569 8.5068 8.5212 9.5070 9.5128 9.6757 9.6954 13.4253 13.4360 15.4966 15.5124 18.3779 18.3918 18.5061 18.5267 k = 0.0909 0.1575-0.0000 ( 1515 PWs) bands (ev): -5.9473 -5.9468 -5.2189 -5.1738 -3.7484 -3.7377 -3.7037 -3.6929 -3.6923 -3.6593 -3.4638 -3.3598 -3.3192 -3.2908 -3.2536 -3.2525 -3.1985 -3.1883 -3.1747 -3.1578 -3.0774 -3.0650 -1.8115 -1.7246 3.2688 3.2767 7.3659 7.3918 7.9724 7.9730 8.5734 8.5877 9.5449 9.5506 9.7047 9.7235 13.3213 13.3314 15.3925 15.4085 18.4649 18.4783 18.5785 18.5992 k = 0.0859 0.1487-0.0000 ( 1511 PWs) bands (ev): -5.9710 -5.9704 -5.2237 -5.1807 -3.7488 -3.7406 -3.7112 -3.6963 -3.6957 -3.6669 -3.4598 -3.3643 -3.3247 -3.2961 -3.2540 -3.2536 -3.1994 -3.1898 -3.1753 -3.1610 -3.0755 -3.0649 -1.8261 -1.7419 3.2320 3.2394 7.4874 7.5125 8.0841 8.0850 8.6406 8.6548 9.5807 9.5862 9.7321 9.7499 13.2176 13.2270 15.2886 15.3047 18.5549 18.5676 18.6479 18.6686 k = 0.0808 0.1400-0.0000 ( 1511 PWs) bands (ev): -5.9938 -5.9931 -5.2284 -5.1875 -3.7492 -3.7435 -3.7182 -3.6995 -3.6990 -3.6740 -3.4556 -3.3685 -3.3302 -3.3013 -3.2553 -3.2537 -3.2002 -3.1912 -3.1759 -3.1639 -3.0736 -3.0647 -1.8397 -1.7586 3.1970 3.2039 7.6078 7.6321 8.1902 8.1915 8.7094 8.7235 9.6143 9.6196 9.7579 9.7748 13.1143 13.1230 15.1855 15.2015 18.6469 18.6589 18.7144 18.7350 k = 0.0758 0.1312-0.0000 ( 1509 PWs) bands (ev): -6.0155 -6.0148 -5.2329 -5.1942 -3.7496 -3.7464 -3.7246 -3.7026 -3.7022 -3.6805 -3.4513 -3.3724 -3.3355 -3.3064 -3.2562 -3.2538 -3.2008 -3.1924 -3.1765 -3.1664 -3.0718 -3.0643 -1.8524 -1.7746 3.1638 3.1703 7.7267 7.7502 8.2895 8.2910 8.7814 8.7953 9.6457 9.6508 9.7820 9.7980 13.0114 13.0195 15.0834 15.0994 18.7395 18.7498 18.7796 18.7991 k = 0.0707 0.1225-0.0000 ( 1505 PWs) bands (ev): -6.0363 -6.0355 -5.2372 -5.2008 -3.7502 -3.7491 -3.7302 -3.7054 -3.7054 -3.6864 -3.4470 -3.3759 -3.3407 -3.3115 -3.2570 -3.2538 -3.2014 -3.1936 -3.1769 -3.1687 -3.0700 -3.0638 -1.8641 -1.7900 3.1326 3.1387 7.8436 7.8662 8.3801 8.3816 8.8578 8.8713 9.6748 9.6797 9.8046 9.8196 12.9092 12.9167 14.9830 14.9987 18.8255 18.8262 18.8574 18.8667 k = 0.0657 0.1137-0.0000 ( 1505 PWs) bands (ev): -6.0558 -6.0550 -5.2412 -5.2072 -3.7518 -3.7509 -3.7349 -3.7084 -3.7082 -3.6919 -3.4425 -3.3790 -3.3457 -3.3165 -3.2576 -3.2539 -3.2019 -3.1946 -3.1773 -3.1707 -3.0682 -3.0633 -1.8749 -1.8046 3.1034 3.1090 7.9578 7.9794 8.4607 8.4622 8.9395 8.9523 9.7017 9.7064 9.8256 9.8396 12.8079 12.8147 14.8846 14.9001 18.8826 18.8931 18.9506 18.9507 k = 0.0606 0.1050-0.0000 ( 1501 PWs) bands (ev): -6.0742 -6.0734 -5.2450 -5.2133 -3.7543 -3.7521 -3.7386 -3.7113 -3.7108 -3.6968 -3.4380 -3.3818 -3.3505 -3.3215 -3.2580 -3.2539 -3.2023 -3.1956 -3.1777 -3.1724 -3.0666 -3.0627 -1.8847 -1.8186 3.0761 3.0813 8.0685 8.0891 8.5312 8.5323 9.0265 9.0384 9.7263 9.7308 9.8450 9.8580 12.7078 12.7139 14.7890 14.8040 18.9330 18.9456 19.0449 19.0461 k = 0.0556 0.0962-0.0000 ( 1505 PWs) bands (ev): -6.0913 -6.0905 -5.2484 -5.2193 -3.7569 -3.7540 -3.7410 -3.7142 -3.7133 -3.7013 -3.4334 -3.3843 -3.3551 -3.3265 -3.2583 -3.2540 -3.2027 -3.1965 -3.1781 -3.1740 -3.0651 -3.0620 -1.8934 -1.8318 3.0510 3.0557 8.1752 8.1947 8.5916 8.5923 9.1179 9.1288 9.7487 9.7529 9.8629 9.8749 12.6092 12.6147 14.6967 14.7113 18.9787 18.9912 19.1407 19.1411 k = 0.0505 0.0875-0.0000 ( 1507 PWs) bands (ev): -6.1070 -6.1063 -5.2516 -5.2249 -3.7592 -3.7564 -3.7422 -3.7168 -3.7157 -3.7055 -3.4288 -3.3864 -3.3595 -3.3315 -3.2585 -3.2542 -3.2030 -3.1974 -3.1784 -3.1754 -3.0636 -3.0613 -1.9011 -1.8442 3.0279 3.0321 8.2771 8.2954 8.6429 8.6432 9.2120 9.2220 9.7687 9.7727 9.8790 9.8900 12.5128 12.5177 14.6086 14.6225 19.0197 19.0316 19.2341 19.2352 k = 0.0455 0.0787-0.0000 ( 1505 PWs) bands (ev): -6.1214 -6.1207 -5.2543 -5.2302 -3.7613 -3.7590 -3.7426 -3.7192 -3.7178 -3.7093 -3.4241 -3.3881 -3.3636 -3.3364 -3.2586 -3.2543 -3.2032 -3.1982 -3.1788 -3.1765 -3.0623 -3.0605 -1.9078 -1.8558 3.0070 3.0108 8.3734 8.3903 8.6863 8.6864 9.3070 9.3159 9.7867 9.7904 9.8937 9.9037 12.4192 12.4234 14.5254 14.5385 19.0564 19.0673 19.3237 19.3266 k = 0.0404 0.0700-0.0000 ( 1509 PWs) bands (ev): -6.1344 -6.1338 -5.2567 -5.2352 -3.7634 -3.7616 -3.7425 -3.7214 -3.7199 -3.7127 -3.4193 -3.3895 -3.3674 -3.3414 -3.2586 -3.2545 -3.2033 -3.1989 -3.1791 -3.1775 -3.0611 -3.0599 -1.9134 -1.8666 2.9882 2.9915 8.4631 8.4786 8.7226 8.7230 9.4007 9.4087 9.8024 9.8058 9.9069 9.9159 12.3291 12.3328 14.4478 14.4600 19.0886 19.0984 19.4083 19.4131 k = 0.0354 0.0612-0.0000 ( 1509 PWs) bands (ev): -6.1460 -6.1454 -5.2587 -5.2398 -3.7652 -3.7640 -3.7421 -3.7234 -3.7217 -3.7159 -3.4146 -3.3905 -3.3710 -3.3463 -3.2585 -3.2547 -3.2034 -3.1996 -3.1794 -3.1783 -3.0600 -3.0592 -1.9180 -1.8766 2.9716 2.9745 8.5453 8.5594 8.7531 8.7538 9.4913 9.4984 9.8159 9.8190 9.9186 9.9266 12.2437 12.2467 14.3768 14.3878 19.1164 19.1250 19.4863 19.4929 k = 0.0303 0.0525-0.0000 ( 1507 PWs) bands (ev): -6.1561 -6.1555 -5.2603 -5.2441 -3.7668 -3.7660 -3.7413 -3.7251 -3.7233 -3.7188 -3.4098 -3.3912 -3.3744 -3.3512 -3.2584 -3.2549 -3.2035 -3.2001 -3.1796 -3.1789 -3.0591 -3.0586 -1.9216 -1.8857 2.9572 2.9597 8.6192 8.6317 8.7786 8.7795 9.5765 9.5827 9.8275 9.8302 9.9288 9.9358 12.1641 12.1666 14.3131 14.3229 19.1401 19.1474 19.5555 19.5635 k = 0.0253 0.0437-0.0000 ( 1511 PWs) bands (ev): -6.1646 -6.1642 -5.2615 -5.2479 -3.7682 -3.7677 -3.7404 -3.7266 -3.7248 -3.7215 -3.4049 -3.3916 -3.3774 -3.3561 -3.2582 -3.2552 -3.2035 -3.2007 -3.1799 -3.1795 -3.0583 -3.0580 -1.9241 -1.8940 2.9450 2.9471 8.6837 8.6945 8.7997 8.8008 9.6544 9.6597 9.8369 9.8393 9.9373 9.9433 12.0919 12.0939 14.2577 14.2661 19.1596 19.1657 19.6135 19.6223 k = 0.0202 0.0350-0.0000 ( 1511 PWs) bands (ev): -6.1717 -6.1713 -5.2622 -5.2513 -3.7694 -3.7691 -3.7394 -3.7278 -3.7260 -3.7239 -3.4001 -3.3916 -3.3802 -3.3610 -3.2579 -3.2554 -3.2035 -3.2012 -3.1801 -3.1799 -3.0577 -3.0575 -1.9256 -1.9013 2.9350 2.9367 8.7378 8.7469 8.8168 8.8180 9.7226 9.7271 9.8445 9.8465 9.9444 9.9494 12.0289 12.0304 14.2112 14.2181 19.1753 19.1801 19.6582 19.6667 k = 0.0152 0.0262-0.0000 ( 1515 PWs) bands (ev): -6.1771 -6.1769 -5.2625 -5.2543 -3.7703 -3.7702 -3.7382 -3.7290 -3.7270 -3.7260 -3.3952 -3.3913 -3.3827 -3.3659 -3.2576 -3.2557 -3.2034 -3.2017 -3.1804 -3.1803 -3.0572 -3.0571 -1.9261 -1.9077 2.9273 2.9286 8.7803 8.7875 8.8308 8.8320 9.7790 9.7826 9.8504 9.8519 9.9499 9.9538 11.9769 11.9780 14.1745 14.1798 19.1873 19.1908 19.6888 19.6959 k = 0.0101 0.0175-0.0000 ( 1515 PWs) bands (ev): -6.1811 -6.1809 -5.2623 -5.2568 -3.7710 -3.7710 -3.7368 -3.7303 -3.7277 -3.7274 -3.3906 -3.3904 -3.3849 -3.3708 -3.2573 -3.2561 -3.2032 -3.2021 -3.1805 -3.1805 -3.0569 -3.0568 -1.9255 -1.9132 2.9219 2.9227 8.8099 8.8148 8.8426 8.8435 9.8213 9.8240 9.8546 9.8557 9.9542 9.9569 11.9381 11.9388 14.1480 14.1516 19.1958 19.1982 19.7071 19.7120 k = 0.0051 0.0087-0.0000 ( 1515 PWs) bands (ev): -6.1834 -6.1833 -5.2616 -5.2589 -3.7714 -3.7714 -3.7352 -3.7319 -3.7282 -3.7281 -3.3897 -3.3868 -3.3855 -3.3757 -3.2570 -3.2564 -3.2030 -3.2025 -3.1806 -3.1806 -3.0566 -3.0566 -1.9239 -1.9178 2.9187 2.9191 8.8262 8.8284 8.8523 8.8524 9.8473 9.8487 9.8580 9.8585 9.9570 9.9584 11.9140 11.9143 14.1323 14.1342 19.2011 19.2023 19.7165 19.7190 k = 0.0000 0.0000 0.0000 ( 1509 PWs) bands (ev): -6.1841 -6.1841 -5.2605 -5.2605 -3.7715 -3.7715 -3.7335 -3.7335 -3.7283 -3.7283 -3.3883 -3.3883 -3.3806 -3.3806 -3.2567 -3.2567 -3.2027 -3.2027 -3.1805 -3.1805 -3.0566 -3.0566 -1.9213 -1.9213 2.9177 2.9177 8.8315 8.8315 8.8562 8.8562 9.8548 9.8548 9.8611 9.8611 9.9587 9.9587 11.9059 11.9059 14.1277 14.1277 19.2032 19.2032 19.7201 19.7201 k = 0.0000 0.0000 0.0000 ( 1509 PWs) bands (ev): -6.1841 -6.1841 -5.2605 -5.2605 -3.7715 -3.7715 -3.7335 -3.7335 -3.7283 -3.7283 -3.3883 -3.3883 -3.3806 -3.3806 -3.2567 -3.2567 -3.2027 -3.2027 -3.1805 -3.1805 -3.0566 -3.0566 -1.9213 -1.9213 2.9177 2.9177 8.8315 8.8315 8.8562 8.8562 9.8548 9.8548 9.8611 9.8611 9.9587 9.9587 11.9059 11.9059 14.1277 14.1277 19.2032 19.2032 19.7201 19.7201 k = 0.0000 0.0000 0.0099 ( 1515 PWs) bands (ev): -6.1833 -6.1833 -5.2608 -5.2608 -3.7716 -3.7716 -3.7334 -3.7334 -3.7284 -3.7284 -3.3883 -3.3883 -3.3808 -3.3808 -3.2567 -3.2567 -3.2027 -3.2027 -3.1805 -3.1805 -3.0567 -3.0567 -1.9242 -1.9242 2.9228 2.9228 8.8322 8.8322 8.8568 8.8568 9.8541 9.8541 9.8604 9.8604 9.9481 9.9481 11.9152 11.9152 14.1283 14.1283 19.2011 19.2011 19.7202 19.7202 k = 0.0000 0.0000 0.0199 ( 1515 PWs) bands (ev): -6.1810 -6.1810 -5.2616 -5.2616 -3.7715 -3.7715 -3.7330 -3.7330 -3.7285 -3.7285 -3.3882 -3.3882 -3.3814 -3.3814 -3.2565 -3.2565 -3.2024 -3.2024 -3.1802 -3.1802 -3.0569 -3.0569 -1.9329 -1.9329 2.9381 2.9381 8.8340 8.8340 8.8587 8.8587 9.8518 9.8518 9.8584 9.8584 9.9178 9.9178 11.9423 11.9423 14.1303 14.1303 19.1949 19.1949 19.7206 19.7206 k = 0.0000 0.0000 0.0298 ( 1503 PWs) bands (ev): -6.1771 -6.1771 -5.2631 -5.2631 -3.7714 -3.7714 -3.7320 -3.7320 -3.7287 -3.7287 -3.3878 -3.3878 -3.3825 -3.3825 -3.2562 -3.2562 -3.2018 -3.2018 -3.1797 -3.1797 -3.0572 -3.0572 -1.9472 -1.9472 2.9634 2.9634 8.8372 8.8372 8.8618 8.8618 9.8471 9.8471 9.8551 9.8551 9.8704 9.8704 11.9857 11.9857 14.1336 14.1336 19.1846 19.1846 19.7212 19.7212 k = 0.0000 0.0000 0.0397 ( 1503 PWs) bands (ev): -6.1717 -6.1717 -5.2651 -5.2651 -3.7713 -3.7713 -3.7309 -3.7309 -3.7290 -3.7290 -3.3874 -3.3874 -3.3840 -3.3840 -3.2559 -3.2559 -3.2012 -3.2012 -3.1790 -3.1790 -3.0577 -3.0577 -1.9669 -1.9669 2.9984 2.9984 8.8415 8.8415 8.8661 8.8661 9.8018 9.8018 9.8453 9.8453 9.8504 9.8504 12.0432 12.0432 14.1381 14.1381 19.1702 19.1702 19.7220 19.7220 k = 0.0000 0.0000 0.0496 ( 1497 PWs) bands (ev): -6.1648 -6.1648 -5.2677 -5.2677 -3.7711 -3.7711 -3.7295 -3.7295 -3.7293 -3.7293 -3.3869 -3.3869 -3.3858 -3.3858 -3.2555 -3.2555 -3.2003 -3.2003 -3.1781 -3.1781 -3.0583 -3.0583 -1.9917 -1.9917 3.0429 3.0429 8.8471 8.8471 8.8716 8.8716 9.7230 9.7230 9.8387 9.8387 9.8446 9.8446 12.1123 12.1123 14.1438 14.1438 19.1519 19.1519 19.7229 19.7229 k = 0.0000 0.0000 0.0596 ( 1497 PWs) bands (ev): -6.1564 -6.1564 -5.2710 -5.2710 -3.7710 -3.7710 -3.7297 -3.7297 -3.7278 -3.7278 -3.3881 -3.3881 -3.3862 -3.3862 -3.2551 -3.2551 -3.1993 -3.1993 -3.1771 -3.1771 -3.0590 -3.0590 -2.0212 -2.0212 3.0965 3.0965 8.8539 8.8539 8.8783 8.8783 9.6319 9.6319 9.8310 9.8310 9.8373 9.8373 12.1906 12.1906 14.1507 14.1507 19.1298 19.1298 19.7239 19.7239 k = 0.0000 0.0000 0.0695 ( 1497 PWs) bands (ev): -6.1465 -6.1465 -5.2749 -5.2749 -3.7708 -3.7708 -3.7302 -3.7302 -3.7257 -3.7257 -3.3907 -3.3907 -3.3854 -3.3854 -3.2546 -3.2546 -3.1981 -3.1981 -3.1760 -3.1760 -3.0599 -3.0599 -2.0550 -2.0550 3.1588 3.1588 8.8619 8.8619 8.8863 8.8863 9.5312 9.5312 9.8222 9.8222 9.8288 9.8288 12.2761 12.2761 14.1587 14.1587 19.1041 19.1041 19.7246 19.7246 k = 0.0000 0.0000 0.0794 ( 1497 PWs) bands (ev): -6.1351 -6.1351 -5.2795 -5.2795 -3.7706 -3.7706 -3.7308 -3.7308 -3.7233 -3.7233 -3.3937 -3.3937 -3.3845 -3.3845 -3.2541 -3.2541 -3.1967 -3.1967 -3.1746 -3.1746 -3.0609 -3.0609 -2.0926 -2.0926 3.2293 3.2293 8.8711 8.8711 8.8953 8.8953 9.4224 9.4224 9.8121 9.8121 9.8190 9.8190 12.3671 12.3671 14.1678 14.1678 19.0750 19.0750 19.7248 19.7248 k = 0.0000 0.0000 0.0894 ( 1491 PWs) bands (ev): -6.1223 -6.1223 -5.2845 -5.2845 -3.7703 -3.7703 -3.7315 -3.7315 -3.7205 -3.7205 -3.3970 -3.3970 -3.3834 -3.3834 -3.2537 -3.2537 -3.1951 -3.1951 -3.1731 -3.1731 -3.0621 -3.0621 -2.1335 -2.1335 3.3076 3.3076 8.8815 8.8815 8.9056 8.9056 9.3070 9.3070 9.8008 9.8008 9.8080 9.8080 12.4620 12.4620 14.1779 14.1779 19.0430 19.0430 19.7234 19.7234 k = 0.0000 0.0000 0.0993 ( 1491 PWs) bands (ev): -6.1082 -6.1082 -5.2905 -5.2905 -3.7700 -3.7700 -3.7322 -3.7322 -3.7173 -3.7173 -3.4006 -3.4006 -3.3822 -3.3822 -3.2533 -3.2533 -3.1934 -3.1934 -3.1715 -3.1715 -3.0634 -3.0634 -2.1772 -2.1772 3.3930 3.3930 8.8930 8.8930 8.9169 8.9169 9.1861 9.1861 9.7883 9.7883 9.7958 9.7958 12.5597 12.5597 14.1887 14.1887 19.0080 19.0080 19.7188 19.7188 k = 0.0000 0.0000 0.1092 ( 1491 PWs) bands (ev): -6.0928 -6.0928 -5.2972 -5.2972 -3.7697 -3.7697 -3.7329 -3.7329 -3.7137 -3.7137 -3.4045 -3.4045 -3.3808 -3.3808 -3.2530 -3.2530 -3.1914 -3.1914 -3.1697 -3.1697 -3.0648 -3.0648 -2.2233 -2.2233 3.4852 3.4852 8.9056 8.9056 8.9294 8.9294 9.0606 9.0606 9.7746 9.7746 9.7825 9.7825 12.6592 12.6592 14.2004 14.2004 18.9705 18.9705 19.7071 19.7071 k = 0.0000 0.0000 0.1191 ( 1491 PWs) bands (ev): -6.0761 -6.0761 -5.3046 -5.3046 -3.7693 -3.7693 -3.7338 -3.7338 -3.7097 -3.7097 -3.4087 -3.4087 -3.3792 -3.3792 -3.2528 -3.2528 -3.1892 -3.1892 -3.1678 -3.1678 -3.0664 -3.0664 -2.2713 -2.2713 3.5836 3.5836 8.9193 8.9193 8.9311 8.9311 8.9429 8.9429 9.7598 9.7598 9.7680 9.7680 12.7597 12.7597 14.2126 14.2126 18.9308 18.9308 19.6803 19.6803 k = 0.0000 0.0000 0.1291 ( 1491 PWs) bands (ev): -6.0581 -6.0581 -5.3129 -5.3129 -3.7689 -3.7689 -3.7347 -3.7347 -3.7053 -3.7053 -3.4132 -3.4132 -3.3774 -3.3774 -3.2527 -3.2527 -3.1868 -3.1868 -3.1657 -3.1657 -3.0680 -3.0680 -2.3206 -2.3206 3.6879 3.6879 8.7983 8.7983 8.9341 8.9341 8.9575 8.9575 9.7439 9.7439 9.7525 9.7525 12.8604 12.8604 14.2252 14.2252 18.8892 18.8892 19.6290 19.6290 k = 0.0000 0.0000 0.1390 ( 1509 PWs) bands (ev): -6.0391 -6.0391 -5.3221 -5.3221 -3.7685 -3.7685 -3.7357 -3.7357 -3.7006 -3.7006 -3.4182 -3.4182 -3.3755 -3.3755 -3.2528 -3.2528 -3.1842 -3.1842 -3.1636 -3.1636 -3.0700 -3.0700 -2.3708 -2.3708 3.7974 3.7974 8.6626 8.6626 8.9497 8.9497 8.9729 8.9729 9.7268 9.7268 9.7358 9.7358 12.9607 12.9607 14.2381 14.2381 18.8459 18.8459 19.5531 19.5531 k = 0.0000 0.0000 0.1489 ( 1521 PWs) bands (ev): -6.0189 -6.0189 -5.3320 -5.3320 -3.7681 -3.7681 -3.7368 -3.7368 -3.6952 -3.6952 -3.4233 -3.4233 -3.3732 -3.3732 -3.2532 -3.2532 -3.1814 -3.1814 -3.1613 -3.1613 -3.0719 -3.0719 -2.4216 -2.4216 3.9119 3.9119 8.5243 8.5243 8.9664 8.9664 8.9894 8.9894 9.7087 9.7087 9.7181 9.7181 13.0603 13.0603 14.2511 14.2511 18.8019 18.8019 19.4622 19.4622 k = 0.0000 0.0000 0.1589 ( 1521 PWs) bands (ev): -5.9977 -5.9977 -5.3429 -5.3429 -3.7676 -3.7676 -3.7378 -3.7378 -3.6893 -3.6893 -3.4286 -3.4286 -3.3707 -3.3707 -3.2536 -3.2536 -3.1781 -3.1781 -3.1589 -3.1589 -3.0739 -3.0739 -2.4724 -2.4724 4.0309 4.0309 8.3839 8.3839 8.9841 8.9841 9.0069 9.0069 9.6897 9.6897 9.6996 9.6996 13.1585 13.1585 14.2640 14.2640 18.7573 18.7573 19.3649 19.3649 k = 0.0000 0.0000 0.1688 ( 1503 PWs) bands (ev): -5.9756 -5.9756 -5.3547 -5.3547 -3.7670 -3.7670 -3.7387 -3.7387 -3.6829 -3.6829 -3.4341 -3.4341 -3.3678 -3.3678 -3.2541 -3.2541 -3.1745 -3.1745 -3.1563 -3.1563 -3.0758 -3.0758 -2.5229 -2.5229 4.1542 4.1542 8.2416 8.2416 9.0029 9.0029 9.0254 9.0254 9.6699 9.6699 9.6803 9.6803 13.2549 13.2549 14.2764 14.2764 18.7127 18.7127 19.2660 19.2660 k = 0.0000 0.0000 0.1787 ( 1503 PWs) bands (ev): -5.9526 -5.9526 -5.3674 -5.3674 -3.7664 -3.7664 -3.7398 -3.7398 -3.6760 -3.6760 -3.4400 -3.4400 -3.3647 -3.3647 -3.2550 -3.2550 -3.1707 -3.1707 -3.1536 -3.1536 -3.0781 -3.0781 -2.5728 -2.5728 4.2811 4.2811 8.0975 8.0975 9.0224 9.0224 9.0447 9.0447 9.6492 9.6492 9.6601 9.6601 13.3491 13.3491 14.2881 14.2881 18.6683 18.6683 19.1680 19.1680 k = 0.0000 0.0000 0.1886 ( 1502 PWs) bands (ev): -5.9288 -5.9288 -5.3811 -5.3811 -3.7657 -3.7657 -3.7410 -3.7410 -3.6685 -3.6685 -3.4462 -3.4462 -3.3613 -3.3613 -3.2561 -3.2561 -3.1664 -3.1664 -3.1509 -3.1509 -3.0804 -3.0804 -2.6216 -2.6216 4.4114 4.4114 7.9519 7.9519 9.0427 9.0427 9.0647 9.0647 9.6277 9.6277 9.6390 9.6390 13.4407 13.4407 14.2989 14.2989 18.6248 18.6248 19.0726 19.0726 k = 0.0000 0.0000 0.1986 ( 1514 PWs) bands (ev): -5.9044 -5.9044 -5.3958 -5.3958 -3.7651 -3.7651 -3.7422 -3.7422 -3.6606 -3.6606 -3.4527 -3.4527 -3.3576 -3.3576 -3.2576 -3.2576 -3.1617 -3.1617 -3.1483 -3.1483 -3.0828 -3.0828 -2.6692 -2.6692 4.5448 4.5448 7.8049 7.8049 9.0638 9.0638 9.0854 9.0854 9.6054 9.6054 9.6172 9.6172 13.5292 13.5292 14.3083 14.3083 18.5827 18.5827 18.9807 18.9807 k = 0.0000 0.0000 0.2085 ( 1514 PWs) bands (ev): -5.8794 -5.8794 -5.4115 -5.4115 -3.7644 -3.7644 -3.7433 -3.7433 -3.6521 -3.6521 -3.4596 -3.4596 -3.3535 -3.3535 -3.2594 -3.2594 -3.1565 -3.1565 -3.1454 -3.1454 -3.0854 -3.0854 -2.7151 -2.7151 4.6811 4.6811 7.6568 7.6568 9.0856 9.0856 9.1069 9.1069 9.5825 9.5825 9.5948 9.5948 13.6145 13.6145 14.3160 14.3160 18.5426 18.5426 18.8934 18.8934 k = 0.0000 0.0000 0.2184 ( 1508 PWs) bands (ev): -5.8539 -5.8539 -5.4281 -5.4281 -3.7636 -3.7636 -3.7445 -3.7445 -3.6431 -3.6431 -3.4667 -3.4667 -3.3490 -3.3490 -3.2615 -3.2615 -3.1506 -3.1506 -3.1424 -3.1424 -3.0879 -3.0879 -2.7592 -2.7592 4.8199 4.8199 7.5077 7.5077 9.1081 9.1081 9.1291 9.1291 9.5590 9.5590 9.5719 9.5719 13.6960 13.6960 14.3217 14.3217 18.5051 18.5051 18.8113 18.8113 k = 0.0000 0.0000 0.2284 ( 1514 PWs) bands (ev): -5.8280 -5.8280 -5.4459 -5.4459 -3.7628 -3.7628 -3.7457 -3.7457 -3.6337 -3.6337 -3.4743 -3.4743 -3.3443 -3.3443 -3.2640 -3.2640 -3.1440 -3.1440 -3.1394 -3.1394 -3.0907 -3.0907 -2.8013 -2.8013 4.9609 4.9609 7.3577 7.3577 9.1312 9.1312 9.1518 9.1518 9.5350 9.5350 9.5483 9.5483 13.7734 13.7734 14.3249 14.3249 18.4704 18.4704 18.7350 18.7350 k = 0.0000 0.0000 0.2383 ( 1514 PWs) bands (ev): -5.8018 -5.8018 -5.4645 -5.4645 -3.7619 -3.7619 -3.7469 -3.7469 -3.6238 -3.6238 -3.4823 -3.4823 -3.3393 -3.3393 -3.2668 -3.2668 -3.1365 -3.1365 -3.1363 -3.1363 -3.0935 -3.0935 -2.8410 -2.8410 5.1039 5.1039 7.2070 7.2070 9.1549 9.1549 9.1751 9.1751 9.5104 9.5104 9.5243 9.5243 13.8464 13.8464 14.3252 14.3252 18.4398 18.4398 18.6651 18.6651 k = 0.0000 0.0000 0.2482 ( 1520 PWs) bands (ev): -5.7755 -5.7755 -5.4843 -5.4843 -3.7610 -3.7610 -3.7481 -3.7481 -3.6136 -3.6136 -3.4906 -3.4906 -3.3339 -3.3339 -3.2701 -3.2701 -3.1333 -3.1333 -3.1281 -3.1281 -3.0963 -3.0963 -2.8784 -2.8784 5.2487 5.2487 7.0557 7.0557 9.1790 9.1790 9.1989 9.1989 9.4855 9.4855 9.4999 9.4999 13.9146 13.9146 14.3222 14.3222 18.4135 18.4135 18.6018 18.6018 k = 0.0000 0.0000 0.2581 ( 1520 PWs) bands (ev): -5.7491 -5.7491 -5.5048 -5.5048 -3.7601 -3.7601 -3.7493 -3.7493 -3.6030 -3.6030 -3.4994 -3.4994 -3.3283 -3.3283 -3.2738 -3.2738 -3.1301 -3.1301 -3.1185 -3.1185 -3.0992 -3.0992 -2.9130 -2.9130 5.3952 5.3952 6.9040 6.9040 9.2036 9.2036 9.2231 9.2231 9.4602 9.4602 9.4751 9.4751 13.9780 13.9780 14.3155 14.3155 18.3922 18.3922 18.5456 18.5456 k = 0.0000 0.0000 0.2681 ( 1520 PWs) bands (ev): -5.7228 -5.7228 -5.5263 -5.5263 -3.7592 -3.7592 -3.7504 -3.7504 -3.5923 -3.5923 -3.5085 -3.5085 -3.3225 -3.3225 -3.2780 -3.2780 -3.1270 -3.1270 -3.1075 -3.1075 -3.1022 -3.1022 -2.9450 -2.9450 5.5429 5.5429 6.7520 6.7520 9.2286 9.2286 9.2477 9.2477 9.4347 9.4347 9.4501 9.4501 14.0360 14.0360 14.3047 14.3047 18.3764 18.3764 18.4968 18.4968 k = 0.0000 0.0000 0.2780 ( 1520 PWs) bands (ev): -5.6966 -5.6966 -5.5487 -5.5487 -3.7582 -3.7582 -3.7516 -3.7516 -3.5814 -3.5814 -3.5180 -3.5180 -3.3165 -3.3165 -3.2826 -3.2826 -3.1238 -3.1238 -3.1052 -3.1052 -3.0949 -3.0949 -2.9742 -2.9742 5.6919 5.6919 6.5998 6.5998 9.2539 9.2539 9.2726 9.2726 9.4089 9.4089 9.4248 9.4248 14.0887 14.0887 14.2894 14.2894 18.3666 18.3666 18.4556 18.4556 k = 0.0000 0.0000 0.2879 ( 1520 PWs) bands (ev): -5.6707 -5.6707 -5.5718 -5.5718 -3.7571 -3.7571 -3.7527 -3.7527 -3.5704 -3.5704 -3.5280 -3.5280 -3.3104 -3.3104 -3.2876 -3.2876 -3.1207 -3.1207 -3.1082 -3.1082 -3.0805 -3.0805 -3.0006 -3.0006 5.8418 5.8418 6.4476 6.4476 9.2795 9.2795 9.2977 9.2977 9.3830 9.3830 9.3994 9.3994 14.1359 14.1359 14.2693 14.2693 18.3633 18.3633 18.4220 18.4220 k = 0.0000 0.0000 0.2979 ( 1520 PWs) bands (ev): -5.6452 -5.6452 -5.5956 -5.5956 -3.7561 -3.7561 -3.7539 -3.7539 -3.5595 -3.5595 -3.5382 -3.5382 -3.3044 -3.3044 -3.2929 -3.2929 -3.1175 -3.1175 -3.1113 -3.1113 -3.0641 -3.0641 -3.0243 -3.0243 5.9925 5.9925 6.2956 6.2956 9.3052 9.3052 9.3230 9.3230 9.3571 9.3571 9.3739 9.3739 14.1775 14.1775 14.2441 14.2441 18.3670 18.3670 18.3961 18.3961 k = 0.0000 0.0000 0.3078 ( 1520 PWs) bands (ev): -5.6201 -5.6201 -5.6201 -5.6201 -3.7550 -3.7550 -3.7550 -3.7550 -3.5488 -3.5488 -3.5488 -3.5488 -3.2986 -3.2986 -3.2986 -3.2986 -3.1144 -3.1144 -3.1144 -3.1144 -3.0454 -3.0454 -3.0454 -3.0454 6.1438 6.1438 6.1438 6.1438 9.3311 9.3311 9.3311 9.3311 9.3485 9.3485 9.3485 9.3485 14.2135 14.2135 14.2135 14.2135 18.3778 18.3778 18.3778 18.3778 k = 0.0000 0.0000 0.3078 ( 1520 PWs) bands (ev): -5.6201 -5.6201 -5.6201 -5.6201 -3.7550 -3.7550 -3.7550 -3.7550 -3.5488 -3.5488 -3.5488 -3.5488 -3.2986 -3.2986 -3.2986 -3.2986 -3.1144 -3.1144 -3.1144 -3.1144 -3.0454 -3.0454 -3.0454 -3.0454 6.1438 6.1438 6.1438 6.1438 9.3311 9.3311 9.3311 9.3311 9.3485 9.3485 9.3485 9.3485 14.2135 14.2135 14.2135 14.2135 18.3778 18.3778 18.3778 18.3778 k = 0.0086 0.0050 0.3078 ( 1520 PWs) bands (ev): -5.6202 -5.6202 -5.6190 -5.6190 -3.7549 -3.7549 -3.7549 -3.7549 -3.5539 -3.5539 -3.5435 -3.5435 -3.2988 -3.2988 -3.2982 -3.2982 -3.1146 -3.1146 -3.1146 -3.1146 -3.0492 -3.0492 -3.0407 -3.0407 6.1435 6.1435 6.1440 6.1440 9.3268 9.3268 9.3292 9.3292 9.3456 9.3456 9.3458 9.3458 14.2167 14.2167 14.2186 14.2186 18.3730 18.3730 18.3764 18.3764 k = 0.0172 0.0100 0.3078 ( 1520 PWs) bands (ev): -5.6193 -5.6193 -5.6168 -5.6168 -3.7545 -3.7545 -3.7545 -3.7545 -3.5589 -3.5589 -3.5381 -3.5381 -3.2988 -3.2988 -3.2976 -3.2976 -3.1153 -3.1153 -3.1150 -3.1150 -3.0520 -3.0520 -3.0352 -3.0352 6.1429 6.1429 6.1440 6.1440 9.3144 9.3144 9.3200 9.3200 9.3385 9.3385 9.3397 9.3397 14.2282 14.2282 14.2319 14.2319 18.3621 18.3621 18.3689 18.3689 k = 0.0259 0.0149 0.3078 ( 1520 PWs) bands (ev): -5.6173 -5.6173 -5.6137 -5.6137 -3.7539 -3.7539 -3.7538 -3.7538 -3.5637 -3.5637 -3.5327 -3.5327 -3.2987 -3.2987 -3.2969 -3.2969 -3.1164 -3.1164 -3.1157 -3.1157 -3.0536 -3.0536 -3.0290 -3.0290 6.1422 6.1422 6.1437 6.1437 9.2924 9.2924 9.3008 9.3008 9.3299 9.3299 9.3317 9.3317 14.2476 14.2476 14.2532 14.2532 18.3454 18.3454 18.3554 18.3554 k = 0.0345 0.0199 0.3078 ( 1524 PWs) bands (ev): -5.6143 -5.6143 -5.6094 -5.6094 -3.7531 -3.7531 -3.7530 -3.7530 -3.5684 -3.5684 -3.5272 -3.5272 -3.2983 -3.2983 -3.2961 -3.2961 -3.1181 -3.1181 -3.1164 -3.1164 -3.0542 -3.0542 -3.0220 -3.0220 6.1412 6.1412 6.1432 6.1432 9.2611 9.2611 9.2719 9.2719 9.3199 9.3199 9.3220 9.3220 14.2747 14.2747 14.2820 14.2820 18.3228 18.3228 18.3360 18.3360 k = 0.0431 0.0249 0.3078 ( 1520 PWs) bands (ev): -5.6104 -5.6104 -5.6042 -5.6042 -3.7521 -3.7521 -3.7517 -3.7517 -3.5728 -3.5728 -3.5216 -3.5216 -3.2976 -3.2976 -3.2951 -3.2951 -3.1202 -3.1202 -3.1172 -3.1172 -3.0537 -3.0537 -3.0145 -3.0145 6.1399 6.1399 6.1424 6.1424 9.2215 9.2215 9.2345 9.2345 9.3081 9.3081 9.3103 9.3103 14.3091 14.3091 14.3180 14.3180 18.2949 18.2949 18.3110 18.3110 k = 0.0517 0.0299 0.3078 ( 1516 PWs) bands (ev): -5.6054 -5.6054 -5.5981 -5.5980 -3.7508 -3.7508 -3.7502 -3.7502 -3.5771 -3.5771 -3.5159 -3.5159 -3.2967 -3.2967 -3.2940 -3.2940 -3.1227 -3.1227 -3.1180 -3.1180 -3.0522 -3.0522 -3.0063 -3.0063 6.1381 6.1381 6.1411 6.1411 9.1744 9.1744 9.1895 9.1895 9.2940 9.2940 9.2965 9.2965 14.3500 14.3500 14.3604 14.3604 18.2618 18.2618 18.2806 18.2806 k = 0.0603 0.0348 0.3078 ( 1518 PWs) bands (ev): -5.5995 -5.5995 -5.5909 -5.5909 -3.7494 -3.7494 -3.7485 -3.7485 -3.5812 -3.5812 -3.5103 -3.5103 -3.2955 -3.2955 -3.2929 -3.2929 -3.1255 -3.1255 -3.1189 -3.1189 -3.0497 -3.0497 -2.9976 -2.9976 6.1357 6.1357 6.1393 6.1393 9.1203 9.1203 9.1374 9.1374 9.2777 9.2777 9.2803 9.2803 14.3968 14.3968 14.4086 14.4086 18.2241 18.2241 18.2454 18.2454 k = 0.0690 0.0398 0.3078 ( 1514 PWs) bands (ev): -5.5926 -5.5926 -5.5829 -5.5829 -3.7478 -3.7478 -3.7464 -3.7464 -3.5850 -3.5850 -3.5046 -3.5046 -3.2940 -3.2940 -3.2917 -3.2917 -3.1285 -3.1285 -3.1196 -3.1196 -3.0463 -3.0463 -2.9883 -2.9883 6.1326 6.1326 6.1367 6.1367 9.0603 9.0603 9.0793 9.0793 9.2591 9.2591 9.2619 9.2619 14.4487 14.4487 14.4619 14.4619 18.1822 18.1822 18.2057 18.2057 k = 0.0776 0.0448 0.3078 ( 1514 PWs) bands (ev): -5.5849 -5.5849 -5.5739 -5.5739 -3.7460 -3.7460 -3.7441 -3.7441 -3.5886 -3.5886 -3.4989 -3.4989 -3.2922 -3.2922 -3.2905 -3.2905 -3.1316 -3.1316 -3.1203 -3.1203 -3.0422 -3.0422 -2.9785 -2.9785 6.1285 6.1285 6.1331 6.1331 8.9950 8.9950 9.0158 9.0158 9.2384 9.2384 9.2414 9.2414 14.5051 14.5051 14.5193 14.5193 18.1367 18.1367 18.1622 18.1622 k = 0.0862 0.0498 0.3078 ( 1518 PWs) bands (ev): -5.5763 -5.5763 -5.5641 -5.5641 -3.7441 -3.7441 -3.7415 -3.7415 -3.5920 -3.5920 -3.4932 -3.4932 -3.2902 -3.2902 -3.2892 -3.2892 -3.1347 -3.1347 -3.1209 -3.1209 -3.0372 -3.0372 -2.9681 -2.9681 6.1232 6.1232 6.1284 6.1284 8.9252 8.9252 8.9477 8.9477 9.2157 9.2157 9.2188 9.2188 14.5649 14.5649 14.5802 14.5802 18.0882 18.0882 18.1153 18.1153 k = 0.0948 0.0547 0.3078 ( 1518 PWs) bands (ev): -5.5669 -5.5669 -5.5535 -5.5535 -3.7420 -3.7420 -3.7386 -3.7386 -3.5951 -3.5951 -3.4876 -3.4876 -3.2879 -3.2879 -3.2878 -3.2878 -3.1378 -3.1378 -3.1215 -3.1215 -3.0314 -3.0314 -2.9571 -2.9571 6.1166 6.1166 6.1223 6.1223 8.8519 8.8519 8.8760 8.8760 9.1909 9.1909 9.1942 9.1942 14.6274 14.6274 14.6435 14.6435 18.0374 18.0374 18.0659 18.0659 k = 0.1034 0.0597 0.3078 ( 1514 PWs) bands (ev): -5.5567 -5.5567 -5.5422 -5.5422 -3.7398 -3.7398 -3.7353 -3.7353 -3.5979 -3.5979 -3.4821 -3.4821 -3.2866 -3.2866 -3.2851 -3.2851 -3.1408 -3.1408 -3.1219 -3.1219 -3.0248 -3.0248 -2.9456 -2.9456 6.1082 6.1082 6.1145 6.1145 8.7759 8.7759 8.8015 8.8015 9.1643 9.1643 9.1678 9.1678 14.6916 14.6916 14.7084 14.7084 17.9851 17.9851 18.0147 18.0147 k = 0.1121 0.0647 0.3078 ( 1516 PWs) bands (ev): -5.5458 -5.5458 -5.5301 -5.5301 -3.7375 -3.7375 -3.7319 -3.7319 -3.6004 -3.6004 -3.4766 -3.4766 -3.2852 -3.2852 -3.2821 -3.2821 -3.1437 -3.1437 -3.1222 -3.1222 -3.0173 -3.0173 -2.9334 -2.9334 6.0978 6.0978 6.1046 6.1046 8.6980 8.6980 8.7249 8.7249 9.1359 9.1359 9.1395 9.1395 14.7565 14.7565 14.7739 14.7739 17.9320 17.9320 17.9624 17.9624 k = 0.1207 0.0697 0.3078 ( 1524 PWs) bands (ev): -5.5342 -5.5342 -5.5174 -5.5174 -3.7351 -3.7351 -3.7282 -3.7282 -3.6027 -3.6027 -3.4712 -3.4712 -3.2839 -3.2839 -3.2788 -3.2788 -3.1465 -3.1465 -3.1224 -3.1224 -3.0091 -3.0091 -2.9207 -2.9207 6.0849 6.0849 6.0922 6.0922 8.6191 8.6191 8.6474 8.6474 9.1058 9.1058 9.1096 9.1096 14.8213 14.8213 14.8391 14.8391 17.8789 17.8789 17.9098 17.9098 k = 0.1293 0.0747 0.3078 ( 1528 PWs) bands (ev): -5.5221 -5.5221 -5.5041 -5.5041 -3.7326 -3.7326 -3.7243 -3.7243 -3.6045 -3.6045 -3.4660 -3.4660 -3.2826 -3.2826 -3.2753 -3.2753 -3.1491 -3.1491 -3.1225 -3.1225 -2.9998 -2.9998 -2.9073 -2.9073 6.0692 6.0692 6.0769 6.0769 8.5402 8.5402 8.5696 8.5696 9.0743 9.0743 9.0782 9.0782 14.8851 14.8851 14.9030 14.9030 17.8267 17.8267 17.8579 17.8579 k = 0.1379 0.0796 0.3078 ( 1534 PWs) bands (ev): -5.5093 -5.5093 -5.4903 -5.4903 -3.7301 -3.7301 -3.7202 -3.7202 -3.6060 -3.6060 -3.4608 -3.4608 -3.2814 -3.2814 -3.2716 -3.2716 -3.1516 -3.1516 -3.1224 -3.1224 -2.9896 -2.9896 -2.8932 -2.8932 6.0502 6.0502 6.0584 6.0584 8.4621 8.4621 8.4924 8.4924 9.0413 9.0413 9.0454 9.0454 14.9467 14.9467 14.9648 14.9648 17.7763 17.7763 17.8074 17.8074 k = 0.1466 0.0846 0.3078 ( 1534 PWs) bands (ev): -5.4961 -5.4961 -5.4760 -5.4760 -3.7275 -3.7275 -3.7159 -3.7159 -3.6069 -3.6069 -3.4557 -3.4557 -3.2801 -3.2801 -3.2676 -3.2676 -3.1537 -3.1537 -3.1222 -3.1222 -2.9783 -2.9783 -2.8783 -2.8783 6.0275 6.0275 6.0360 6.0360 8.3856 8.3856 8.4169 8.4169 9.0071 9.0071 9.0113 9.0113 15.0053 15.0053 15.0233 15.0233 17.7285 17.7285 17.7594 17.7594 k = 0.1552 0.0896 0.3078 ( 1526 PWs) bands (ev): -5.4824 -5.4824 -5.4613 -5.4613 -3.7248 -3.7248 -3.7114 -3.7114 -3.6074 -3.6074 -3.4507 -3.4507 -3.2787 -3.2787 -3.2635 -3.2635 -3.1556 -3.1556 -3.1218 -3.1218 -2.9659 -2.9659 -2.8627 -2.8627 6.0006 6.0006 6.0094 6.0094 8.3118 8.3118 8.3438 8.3438 8.9718 8.9718 8.9761 8.9761 15.0600 15.0600 15.0776 15.0776 17.6842 17.6842 17.7146 17.7146 k = 0.1638 0.0946 0.3078 ( 1526 PWs) bands (ev): -5.4684 -5.4684 -5.4463 -5.4463 -3.7221 -3.7221 -3.7069 -3.7069 -3.6073 -3.6073 -3.4458 -3.4458 -3.2775 -3.2775 -3.2593 -3.2593 -3.1572 -3.1572 -3.1213 -3.1213 -2.9523 -2.9523 -2.8464 -2.8464 5.9690 5.9690 5.9780 5.9780 8.2413 8.2413 8.2738 8.2738 8.9354 8.9354 8.9398 8.9398 15.1096 15.1096 15.1267 15.1267 17.6442 17.6442 17.6739 17.6739 k = 0.1724 0.0995 0.3078 ( 1524 PWs) bands (ev): -5.4540 -5.4540 -5.4310 -5.4310 -3.7194 -3.7194 -3.7026 -3.7026 -3.6065 -3.6065 -3.4410 -3.4410 -3.2763 -3.2763 -3.2552 -3.2552 -3.1586 -3.1586 -3.1206 -3.1206 -2.9374 -2.9374 -2.8291 -2.8291 5.9323 5.9323 5.9413 5.9413 8.1748 8.1748 8.2078 8.2078 8.8981 8.8981 8.9027 8.9027 15.1535 15.1535 15.1699 15.1699 17.6093 17.6093 17.6379 17.6379 k = 0.1810 0.1045 0.3078 ( 1524 PWs) bands (ev): -5.4394 -5.4394 -5.4156 -5.4156 -3.7168 -3.7168 -3.6983 -3.6983 -3.6051 -3.6051 -3.4364 -3.4364 -3.2752 -3.2752 -3.2510 -3.2510 -3.1596 -3.1596 -3.1197 -3.1197 -2.9211 -2.9211 -2.8111 -2.8111 5.8901 5.8901 5.8991 5.8991 8.1131 8.1131 8.1463 8.1463 8.8601 8.8601 8.8648 8.8648 15.1907 15.1907 15.2063 15.2063 17.5800 17.5800 17.6074 17.6074 k = 0.1897 0.1095 0.3078 ( 1512 PWs) bands (ev): -5.4246 -5.4246 -5.4000 -5.4000 -3.7141 -3.7141 -3.6943 -3.6943 -3.6027 -3.6027 -3.4318 -3.4318 -3.2740 -3.2740 -3.2470 -3.2470 -3.1602 -3.1602 -3.1187 -3.1187 -2.9034 -2.9034 -2.7920 -2.7920 5.8422 5.8422 5.8509 5.8509 8.0568 8.0568 8.0900 8.0900 8.8216 8.8216 8.8264 8.8264 15.2207 15.2207 15.2353 15.2353 17.5569 17.5569 17.5829 17.5829 k = 0.1983 0.1145 0.3078 ( 1512 PWs) bands (ev): -5.4097 -5.4097 -5.3844 -5.3844 -3.7115 -3.7115 -3.6907 -3.6907 -3.5996 -3.5996 -3.4273 -3.4273 -3.2730 -3.2730 -3.2432 -3.2432 -3.1605 -3.1605 -3.1176 -3.1176 -2.8843 -2.8843 -2.7721 -2.7721 5.7883 5.7883 5.7967 5.7967 8.0062 8.0062 8.0392 8.0392 8.7825 8.7825 8.7873 8.7873 15.2431 15.2431 15.2565 15.2565 17.5401 17.5401 17.5646 17.5646 k = 0.2069 0.1195 0.3078 ( 1508 PWs) bands (ev): -5.3948 -5.3948 -5.3688 -5.3688 -3.7090 -3.7090 -3.6874 -3.6874 -3.5956 -3.5956 -3.4229 -3.4229 -3.2720 -3.2720 -3.2397 -3.2397 -3.1603 -3.1603 -3.1163 -3.1163 -2.8635 -2.8635 -2.7511 -2.7511 5.7284 5.7284 5.7363 5.7363 7.9616 7.9616 7.9943 7.9943 8.7430 8.7430 8.7479 8.7479 15.2576 15.2576 15.2698 15.2698 17.5297 17.5297 17.5525 17.5525 k = 0.2155 0.1244 0.3078 ( 1508 PWs) bands (ev): -5.3799 -5.3799 -5.3533 -5.3533 -3.7066 -3.7066 -3.6846 -3.6846 -3.5906 -3.5906 -3.4187 -3.4187 -3.2711 -3.2711 -3.2364 -3.2364 -3.1598 -3.1598 -3.1149 -3.1149 -2.8413 -2.8413 -2.7291 -2.7291 5.6626 5.6626 5.6699 5.6699 7.9232 7.9232 7.9553 7.9553 8.7033 8.7033 8.7082 8.7082 15.2641 15.2641 15.2750 15.2750 17.5254 17.5254 17.5465 17.5465 k = 0.2241 0.1294 0.3078 ( 1508 PWs) bands (ev): -5.3651 -5.3651 -5.3380 -5.3380 -3.7043 -3.7043 -3.6823 -3.6823 -3.5847 -3.5847 -3.4145 -3.4145 -3.2702 -3.2702 -3.2336 -3.2336 -3.1588 -3.1588 -3.1133 -3.1133 -2.8174 -2.8174 -2.7060 -2.7060 5.5910 5.5910 5.5977 5.5977 7.8908 7.8908 7.9223 7.9223 8.6634 8.6634 8.6683 8.6683 15.2630 15.2630 15.2725 15.2725 17.5268 17.5268 17.5460 17.5460 k = 0.2328 0.1344 0.3078 ( 1506 PWs) bands (ev): -5.3504 -5.3504 -5.3229 -5.3229 -3.7021 -3.7021 -3.6805 -3.6805 -3.5780 -3.5780 -3.4104 -3.4104 -3.2694 -3.2694 -3.2311 -3.2311 -3.1574 -3.1574 -3.1117 -3.1117 -2.7919 -2.7919 -2.6818 -2.6818 5.5140 5.5140 5.5200 5.5200 7.8643 7.8643 7.8951 7.8951 8.6236 8.6236 8.6285 8.6285 15.2547 15.2547 15.2628 15.2628 17.5332 17.5332 17.5506 17.5506 k = 0.2414 0.1394 0.3078 ( 1510 PWs) bands (ev): -5.3359 -5.3359 -5.3081 -5.3081 -3.7001 -3.7001 -3.6790 -3.6790 -3.5706 -3.5706 -3.4064 -3.4064 -3.2687 -3.2687 -3.2289 -3.2289 -3.1556 -3.1556 -3.1099 -3.1099 -2.7648 -2.7648 -2.6565 -2.6565 5.4321 5.4321 5.4373 5.4373 7.8435 7.8435 7.8734 7.8734 8.5838 8.5838 8.5888 8.5888 15.2397 15.2397 15.2465 15.2465 17.5438 17.5438 17.5594 17.5594 k = 0.2500 0.1443 0.3078 ( 1510 PWs) bands (ev): -5.3217 -5.3217 -5.2936 -5.2936 -3.6982 -3.6982 -3.6779 -3.6779 -3.5626 -3.5626 -3.4026 -3.4026 -3.2679 -3.2679 -3.2271 -3.2271 -3.1534 -3.1534 -3.1080 -3.1080 -2.7361 -2.7361 -2.6300 -2.6300 5.3457 5.3457 5.3501 5.3501 7.8280 7.8280 7.8569 7.8569 8.5443 8.5443 8.5492 8.5492 15.2188 15.2188 15.2244 15.2244 17.5576 17.5576 17.5716 17.5716 k = 0.2586 0.1493 0.3078 ( 1506 PWs) bands (ev): -5.3077 -5.3077 -5.2796 -5.2796 -3.6963 -3.6963 -3.6771 -3.6771 -3.5539 -3.5539 -3.3988 -3.3988 -3.2672 -3.2672 -3.2256 -3.2256 -3.1508 -3.1508 -3.1061 -3.1061 -2.7058 -2.7058 -2.6024 -2.6024 5.2555 5.2555 5.2590 5.2590 7.8174 7.8174 7.8453 7.8453 8.5051 8.5051 8.5101 8.5101 15.1927 15.1927 15.1972 15.1972 17.5738 17.5738 17.5862 17.5862 k = 0.2672 0.1543 0.3078 ( 1504 PWs) bands (ev): -5.2940 -5.2940 -5.2659 -5.2659 -3.6946 -3.6946 -3.6765 -3.6765 -3.5448 -3.5448 -3.3951 -3.3951 -3.2665 -3.2665 -3.2244 -3.2244 -3.1480 -3.1480 -3.1040 -3.1040 -2.6739 -2.6739 -2.5736 -2.5736 5.1619 5.1619 5.1645 5.1645 7.8112 7.8112 7.8381 7.8381 8.4664 8.4664 8.4713 8.4713 15.1623 15.1623 15.1658 15.1658 17.5913 17.5913 17.6022 17.6022 k = 0.2759 0.1593 0.3078 ( 1500 PWs) bands (ev): -5.2807 -5.2807 -5.2527 -5.2527 -3.6930 -3.6930 -3.6762 -3.6762 -3.5354 -3.5354 -3.3916 -3.3916 -3.2658 -3.2658 -3.2235 -3.2235 -3.1450 -3.1450 -3.1020 -3.1020 -2.6405 -2.6405 -2.5436 -2.5436 5.0655 5.0655 5.0674 5.0674 7.8090 7.8090 7.8349 7.8349 8.4282 8.4282 8.4331 8.4331 15.1283 15.1283 15.1310 15.1310 17.6094 17.6094 17.6189 17.6189 k = 0.2845 0.1642 0.3078 ( 1500 PWs) bands (ev): -5.2679 -5.2679 -5.2400 -5.2400 -3.6916 -3.6916 -3.6760 -3.6760 -3.5258 -3.5258 -3.3882 -3.3882 -3.2651 -3.2651 -3.2227 -3.2227 -3.1418 -3.1418 -3.0998 -3.0998 -2.6058 -2.6058 -2.5125 -2.5125 4.9670 4.9670 4.9682 4.9682 7.8103 7.8103 7.8351 7.8351 8.3906 8.3906 8.3955 8.3955 15.0914 15.0914 15.0934 15.0934 17.6272 17.6272 17.6354 17.6354 k = 0.2931 0.1692 0.3078 ( 1500 PWs) bands (ev): -5.2554 -5.2554 -5.2279 -5.2279 -3.6903 -3.6903 -3.6759 -3.6759 -3.5161 -3.5161 -3.3849 -3.3849 -3.2645 -3.2645 -3.2221 -3.2221 -3.1385 -3.1385 -3.0977 -3.0977 -2.5697 -2.5697 -2.4803 -2.4803 4.8669 4.8669 4.8674 4.8674 7.8146 7.8146 7.8384 7.8384 8.3537 8.3537 8.3586 8.3586 15.0524 15.0524 15.0537 15.0537 17.6441 17.6441 17.6512 17.6512 k = 0.3017 0.1742 0.3078 ( 1504 PWs) bands (ev): -5.2435 -5.2435 -5.2163 -5.2163 -3.6891 -3.6891 -3.6760 -3.6760 -3.5063 -3.5063 -3.3818 -3.3818 -3.2638 -3.2638 -3.2217 -3.2217 -3.1351 -3.1351 -3.0956 -3.0956 -2.5324 -2.5324 -2.4470 -2.4470 4.7657 4.7657 4.7658 4.7658 7.8215 7.8215 7.8444 7.8444 8.3177 8.3177 8.3225 8.3225 15.0118 15.0118 15.0126 15.0126 17.6596 17.6596 17.6656 17.6656 k = 0.3103 0.1792 0.3078 ( 1504 PWs) bands (ev): -5.2320 -5.2320 -5.2053 -5.2053 -3.6881 -3.6881 -3.6761 -3.6761 -3.4965 -3.4965 -3.3789 -3.3789 -3.2631 -3.2631 -3.2213 -3.2213 -3.1316 -3.1316 -3.0935 -3.0935 -2.4940 -2.4940 -2.4128 -2.4128 4.6635 4.6635 4.6642 4.6642 7.8308 7.8308 7.8526 7.8526 8.2825 8.2825 8.2873 8.2873 14.9703 14.9703 14.9706 14.9706 17.6732 17.6732 17.6782 17.6782 k = 0.3190 0.1842 0.3078 ( 1500 PWs) bands (ev): -5.2209 -5.2209 -5.1949 -5.1949 -3.6871 -3.6871 -3.6763 -3.6763 -3.4868 -3.4868 -3.3761 -3.3761 -3.2623 -3.2623 -3.2210 -3.2210 -3.1281 -3.1281 -3.0913 -3.0913 -2.4546 -2.4546 -2.3777 -2.3777 4.5614 4.5614 4.5626 4.5626 7.8419 7.8419 7.8628 7.8628 8.2484 8.2484 8.2532 8.2532 14.9282 14.9282 14.9282 14.9282 17.6848 17.6848 17.6889 17.6889 k = 0.3276 0.1891 0.3078 ( 1500 PWs) bands (ev): -5.2104 -5.2104 -5.1851 -5.1851 -3.6863 -3.6863 -3.6765 -3.6765 -3.4773 -3.4773 -3.3734 -3.3734 -3.2615 -3.2615 -3.2208 -3.2208 -3.1246 -3.1246 -3.0893 -3.0893 -2.4145 -2.4145 -2.3420 -2.3420 4.4600 4.4600 4.4616 4.4616 7.8545 7.8545 7.8745 7.8745 8.2154 8.2154 8.2201 8.2201 14.8858 14.8858 14.8860 14.8860 17.6940 17.6940 17.6973 17.6973 k = 0.3362 0.1941 0.3078 ( 1494 PWs) bands (ev): -5.2004 -5.2004 -5.1759 -5.1759 -3.6856 -3.6856 -3.6767 -3.6767 -3.4680 -3.4680 -3.3710 -3.3710 -3.2606 -3.2606 -3.2206 -3.2206 -3.1210 -3.1210 -3.0872 -3.0872 -2.3737 -2.3737 -2.3056 -2.3056 4.3595 4.3595 4.3615 4.3615 7.8684 7.8684 7.8875 7.8875 8.1836 8.1836 8.1882 8.1882 14.8438 14.8438 14.8442 14.8442 17.7009 17.7009 17.7035 17.7035 k = 0.3448 0.1991 0.3078 ( 1494 PWs) bands (ev): -5.1910 -5.1910 -5.1673 -5.1673 -3.6849 -3.6849 -3.6770 -3.6770 -3.4589 -3.4589 -3.3688 -3.3688 -3.2597 -3.2597 -3.2205 -3.2205 -3.1176 -3.1176 -3.0852 -3.0852 -2.3326 -2.3326 -2.2687 -2.2687 4.2606 4.2606 4.2629 4.2629 7.8832 7.8832 7.9014 7.9014 8.1530 8.1530 8.1576 8.1576 14.8024 14.8024 14.8030 14.8030 17.7055 17.7055 17.7073 17.7073 k = 0.3534 0.2041 0.3078 ( 1486 PWs) bands (ev): -5.1820 -5.1820 -5.1593 -5.1593 -3.6844 -3.6844 -3.6773 -3.6773 -3.4501 -3.4501 -3.3667 -3.3667 -3.2586 -3.2586 -3.2204 -3.2204 -3.1141 -3.1141 -3.0833 -3.0833 -2.2912 -2.2912 -2.2316 -2.2316 4.1637 4.1637 4.1662 4.1662 7.8987 7.8987 7.9161 7.9161 8.1238 8.1238 8.1284 8.1284 14.7621 14.7621 14.7628 14.7628 17.7079 17.7079 17.7091 17.7091 k = 0.3621 0.2090 0.3078 ( 1488 PWs) bands (ev): -5.1736 -5.1736 -5.1519 -5.1519 -3.6839 -3.6839 -3.6777 -3.6777 -3.4417 -3.4417 -3.3649 -3.3649 -3.2576 -3.2576 -3.2204 -3.2204 -3.1108 -3.1108 -3.0815 -3.0815 -2.2498 -2.2498 -2.1945 -2.1945 4.0692 4.0692 4.0719 4.0719 7.9144 7.9144 7.9310 7.9310 8.0960 8.0960 8.1006 8.1006 14.7230 14.7230 14.7237 14.7237 17.7082 17.7082 17.7089 17.7089 k = 0.3707 0.2140 0.3078 ( 1488 PWs) bands (ev): -5.1657 -5.1657 -5.1450 -5.1450 -3.6835 -3.6835 -3.6780 -3.6780 -3.4337 -3.4337 -3.3632 -3.3632 -3.2564 -3.2564 -3.2204 -3.2204 -3.1075 -3.1075 -3.0799 -3.0799 -2.2087 -2.2087 -2.1576 -2.1576 3.9775 3.9775 3.9803 3.9803 7.9300 7.9300 7.9459 7.9459 8.0698 8.0698 8.0745 8.0745 14.6853 14.6853 14.6860 14.6860 17.7066 17.7066 17.7069 17.7069 k = 0.3793 0.2190 0.3078 ( 1488 PWs) bands (ev): -5.1583 -5.1583 -5.1388 -5.1388 -3.6832 -3.6832 -3.6783 -3.6783 -3.4261 -3.4261 -3.3618 -3.3618 -3.2551 -3.2551 -3.2205 -3.2205 -3.1043 -3.1043 -3.0783 -3.0783 -2.1681 -2.1681 -2.1211 -2.1211 3.8891 3.8891 3.8919 3.8919 7.9451 7.9451 7.9604 7.9604 8.0455 8.0455 8.0504 8.0504 14.6493 14.6493 14.6500 14.6500 17.7033 17.7033 17.7034 17.7034 k = 0.3879 0.2240 0.3078 ( 1488 PWs) bands (ev): -5.1514 -5.1514 -5.1331 -5.1331 -3.6829 -3.6829 -3.6787 -3.6787 -3.4189 -3.4189 -3.3606 -3.3606 -3.2538 -3.2538 -3.2207 -3.2207 -3.1013 -3.1013 -3.0769 -3.0769 -2.1283 -2.1283 -2.0853 -2.0853 3.8043 3.8043 3.8072 3.8072 7.9586 7.9586 7.9733 7.9733 8.0242 8.0242 8.0292 8.0292 14.6151 14.6151 14.6158 14.6158 17.6985 17.6985 17.6989 17.6989 k = 0.3966 0.2289 0.3078 ( 1492 PWs) bands (ev): -5.1451 -5.1451 -5.1280 -5.1280 -3.6828 -3.6828 -3.6790 -3.6790 -3.4122 -3.4122 -3.3596 -3.3596 -3.2524 -3.2524 -3.2209 -3.2209 -3.0983 -3.0983 -3.0757 -3.0757 -2.0896 -2.0896 -2.0504 -2.0504 3.7237 3.7237 3.7265 3.7265 7.9674 7.9674 7.9793 7.9793 8.0108 8.0108 8.0138 8.0138 14.5829 14.5829 14.5836 14.5836 17.6926 17.6926 17.6933 17.6933 k = 0.4052 0.2339 0.3078 ( 1496 PWs) bands (ev): -5.1392 -5.1392 -5.1234 -5.1234 -3.6826 -3.6826 -3.6794 -3.6794 -3.4059 -3.4059 -3.3588 -3.3588 -3.2509 -3.2509 -3.2212 -3.2212 -3.0954 -3.0954 -3.0745 -3.0745 -2.0524 -2.0524 -2.0169 -2.0169 3.6475 3.6475 3.6503 3.6503 7.9646 7.9646 7.9695 7.9695 8.0111 8.0111 8.0143 8.0143 14.5527 14.5527 14.5534 14.5534 17.6861 17.6861 17.6869 17.6869 k = 0.4138 0.2389 0.3078 ( 1500 PWs) bands (ev): -5.1339 -5.1339 -5.1194 -5.1194 -3.6825 -3.6825 -3.6797 -3.6797 -3.4001 -3.4001 -3.3582 -3.3582 -3.2493 -3.2493 -3.2217 -3.2217 -3.0927 -3.0927 -3.0736 -3.0736 -2.0168 -2.0168 -1.9850 -1.9850 3.5763 3.5763 3.5790 3.5790 7.9520 7.9520 7.9535 7.9535 8.0190 8.0190 8.0250 8.0250 14.5249 14.5249 14.5255 14.5255 17.6790 17.6790 17.6800 17.6800 k = 0.4224 0.2439 0.3078 ( 1504 PWs) bands (ev): -5.1290 -5.1290 -5.1159 -5.1159 -3.6824 -3.6824 -3.6800 -3.6800 -3.3947 -3.3947 -3.3579 -3.3579 -3.2477 -3.2477 -3.2222 -3.2222 -3.0901 -3.0901 -3.0728 -3.0728 -1.9832 -1.9832 -1.9549 -1.9549 3.5104 3.5104 3.5130 3.5130 7.9371 7.9371 7.9373 7.9373 8.0301 8.0301 8.0365 8.0365 14.4993 14.4993 14.4999 14.4999 17.6718 17.6718 17.6728 17.6728 k = 0.4310 0.2489 0.3078 ( 1504 PWs) bands (ev): -5.1245 -5.1245 -5.1128 -5.1128 -3.6823 -3.6823 -3.6803 -3.6803 -3.3898 -3.3898 -3.3577 -3.3577 -3.2459 -3.2459 -3.2228 -3.2228 -3.0877 -3.0877 -3.0722 -3.0722 -1.9520 -1.9520 -1.9271 -1.9271 3.4503 3.4503 3.4526 3.4526 7.9224 7.9224 7.9227 7.9227 8.0414 8.0414 8.0477 8.0477 14.4763 14.4763 14.4767 14.4767 17.6647 17.6647 17.6657 17.6657 k = 0.4397 0.2538 0.3078 ( 1502 PWs) bands (ev): -5.1205 -5.1205 -5.1102 -5.1102 -3.6822 -3.6822 -3.6805 -3.6805 -3.3852 -3.3852 -3.3577 -3.3577 -3.2441 -3.2441 -3.2235 -3.2235 -3.0854 -3.0854 -3.0717 -3.0717 -1.9233 -1.9233 -1.9018 -1.9018 3.3962 3.3962 3.3983 3.3983 7.9090 7.9090 7.9095 7.9095 8.0522 8.0522 8.0579 8.0579 14.4557 14.4557 14.4561 14.4561 17.6579 17.6579 17.6589 17.6589 k = 0.4483 0.2588 0.3078 ( 1498 PWs) bands (ev): -5.1169 -5.1169 -5.1081 -5.1081 -3.6821 -3.6821 -3.6807 -3.6807 -3.3811 -3.3811 -3.3579 -3.3579 -3.2423 -3.2423 -3.2243 -3.2243 -3.0832 -3.0832 -3.0715 -3.0715 -1.8977 -1.8977 -1.8794 -1.8794 3.3486 3.3486 3.3504 3.3504 7.8973 7.8973 7.8979 7.8979 8.0620 8.0620 8.0670 8.0670 14.4378 14.4378 14.4382 14.4382 17.6516 17.6516 17.6525 17.6525 k = 0.4569 0.2638 0.3078 ( 1498 PWs) bands (ev): -5.1138 -5.1138 -5.1064 -5.1064 -3.6821 -3.6821 -3.6809 -3.6809 -3.3774 -3.3774 -3.3584 -3.3584 -3.2405 -3.2405 -3.2253 -3.2253 -3.0812 -3.0812 -3.0714 -3.0714 -1.8752 -1.8752 -1.8601 -1.8601 3.3077 3.3077 3.3093 3.3093 7.8873 7.8873 7.8879 7.8879 8.0706 8.0706 8.0749 8.0749 14.4225 14.4225 14.4228 14.4228 17.6459 17.6459 17.6467 17.6467 k = 0.4655 0.2688 0.3078 ( 1498 PWs) bands (ev): -5.1112 -5.1112 -5.1052 -5.1052 -3.6820 -3.6820 -3.6811 -3.6811 -3.3741 -3.3741 -3.3591 -3.3591 -3.2387 -3.2387 -3.2264 -3.2264 -3.0794 -3.0794 -3.0715 -3.0715 -1.8562 -1.8562 -1.8441 -1.8441 3.2738 3.2738 3.2751 3.2751 7.8791 7.8791 7.8796 7.8796 8.0779 8.0779 8.0813 8.0813 14.4099 14.4099 14.4102 14.4102 17.6411 17.6411 17.6418 17.6418 k = 0.4741 0.2737 0.3078 ( 1498 PWs) bands (ev): -5.1089 -5.1089 -5.1045 -5.1045 -3.6820 -3.6820 -3.6813 -3.6813 -3.3711 -3.3711 -3.3600 -3.3600 -3.2369 -3.2369 -3.2276 -3.2276 -3.0778 -3.0778 -3.0718 -3.0718 -1.8408 -1.8408 -1.8318 -1.8318 3.2473 3.2473 3.2483 3.2483 7.8728 7.8728 7.8731 7.8731 8.0837 8.0837 8.0863 8.0863 14.4001 14.4001 14.4003 14.4003 17.6372 17.6372 17.6378 17.6378 k = 0.4828 0.2787 0.3078 ( 1502 PWs) bands (ev): -5.1071 -5.1071 -5.1042 -5.1042 -3.6819 -3.6819 -3.6815 -3.6815 -3.3686 -3.3686 -3.3612 -3.3612 -3.2352 -3.2352 -3.2289 -3.2289 -3.0763 -3.0763 -3.0724 -3.0724 -1.8293 -1.8293 -1.8233 -1.8233 3.2282 3.2282 3.2288 3.2288 7.8682 7.8682 7.8685 7.8685 8.0880 8.0880 8.0898 8.0898 14.3931 14.3931 14.3932 14.3932 17.6344 17.6344 17.6348 17.6348 k = 0.4914 0.2837 0.3078 ( 1488 PWs) bands (ev): -5.1057 -5.1057 -5.1042 -5.1042 -3.6817 -3.6817 -3.6815 -3.6815 -3.3662 -3.3662 -3.3625 -3.3625 -3.2334 -3.2334 -3.2303 -3.2303 -3.0750 -3.0750 -3.0730 -3.0730 -1.8217 -1.8217 -1.8187 -1.8187 3.2168 3.2168 3.2171 3.2171 7.8656 7.8656 7.8657 7.8657 8.0910 8.0910 8.0919 8.0919 14.3889 14.3889 14.3889 14.3889 17.6328 17.6328 17.6330 17.6330 k = 0.5000 0.2887 0.3078 ( 1488 PWs) bands (ev): -5.1047 -5.1047 -5.1047 -5.1047 -3.6816 -3.6816 -3.6816 -3.6816 -3.3642 -3.3642 -3.3642 -3.3642 -3.2318 -3.2318 -3.2318 -3.2318 -3.0739 -3.0739 -3.0739 -3.0739 -1.8182 -1.8182 -1.8182 -1.8182 3.2131 3.2131 3.2131 3.2131 7.8647 7.8647 7.8647 7.8647 8.0922 8.0922 8.0922 8.0922 14.3875 14.3875 14.3875 14.3875 17.6323 17.6323 17.6323 17.6323 k = 0.5000 0.2887 0.3078 ( 1488 PWs) bands (ev): -5.1047 -5.1047 -5.1047 -5.1047 -3.6816 -3.6816 -3.6816 -3.6816 -3.3642 -3.3642 -3.3642 -3.3642 -3.2318 -3.2318 -3.2318 -3.2318 -3.0739 -3.0739 -3.0739 -3.0739 -1.8182 -1.8182 -1.8182 -1.8182 3.2131 3.2131 3.2131 3.2131 7.8647 7.8647 7.8647 7.8647 8.0922 8.0922 8.0922 8.0922 14.3875 14.3875 14.3875 14.3875 17.6323 17.6323 17.6323 17.6323 k = 0.4949 0.2974 0.3078 ( 1492 PWs) bands (ev): -5.1063 -5.1063 -5.1030 -5.1030 -3.6826 -3.6826 -3.6805 -3.6805 -3.3689 -3.3689 -3.3599 -3.3599 -3.2337 -3.2337 -3.2298 -3.2298 -3.0750 -3.0750 -3.0729 -3.0729 -1.8208 -1.8208 -1.8143 -1.8143 3.2137 3.2137 3.2141 3.2141 7.8468 7.8468 7.8590 7.8590 8.0932 8.0932 8.1052 8.1052 14.3910 14.3910 14.3934 14.3934 17.6342 17.6342 17.6344 17.6344 k = 0.4899 0.3062 0.3078 ( 1496 PWs) bands (ev): -5.1077 -5.1077 -5.1010 -5.1010 -3.6834 -3.6834 -3.6793 -3.6793 -3.3740 -3.3740 -3.3559 -3.3559 -3.2355 -3.2355 -3.2278 -3.2278 -3.0762 -3.0762 -3.0721 -3.0721 -1.8222 -1.8222 -1.8093 -1.8093 3.2159 3.2159 3.2167 3.2167 7.8107 7.8107 7.8311 7.8311 8.1072 8.1072 8.1271 8.1271 14.4040 14.4040 14.4087 14.4087 17.6402 17.6402 17.6405 17.6405 k = 0.4848 0.3149 0.3078 ( 1492 PWs) bands (ev): -5.1088 -5.1088 -5.0988 -5.0988 -3.6840 -3.6840 -3.6778 -3.6777 -3.3792 -3.3792 -3.3523 -3.3523 -3.2371 -3.2371 -3.2257 -3.2257 -3.0775 -3.0775 -3.0713 -3.0713 -1.8224 -1.8224 -1.8030 -1.8030 3.2198 3.2198 3.2210 3.2210 7.7620 7.7620 7.7871 7.7871 8.1284 8.1284 8.1524 8.1524 14.4261 14.4261 14.4332 14.4332 17.6502 17.6502 17.6506 17.6506 k = 0.4798 0.3237 0.3078 ( 1488 PWs) bands (ev): -5.1097 -5.1097 -5.0964 -5.0964 -3.6845 -3.6845 -3.6761 -3.6761 -3.3847 -3.3847 -3.3490 -3.3490 -3.2385 -3.2385 -3.2235 -3.2235 -3.0789 -3.0789 -3.0707 -3.0707 -1.8213 -1.8213 -1.7956 -1.7956 3.2253 3.2253 3.2269 3.2269 7.7042 7.7042 7.7319 7.7319 8.1521 8.1521 8.1781 8.1781 14.4572 14.4572 14.4664 14.4664 17.6640 17.6640 17.6646 17.6646 k = 0.4747 0.3324 0.3078 ( 1488 PWs) bands (ev): -5.1105 -5.1105 -5.0938 -5.0938 -3.6848 -3.6848 -3.6742 -3.6742 -3.3904 -3.3904 -3.3461 -3.3461 -3.2398 -3.2398 -3.2213 -3.2213 -3.0803 -3.0803 -3.0703 -3.0703 -1.8189 -1.8189 -1.7871 -1.7871 3.2324 3.2324 3.2343 3.2343 7.6389 7.6389 7.6683 7.6683 8.1759 8.1759 8.2028 8.2028 14.4965 14.4965 14.5078 14.5078 17.6815 17.6815 17.6823 17.6823 k = 0.4697 0.3412 0.3078 ( 1488 PWs) bands (ev): -5.1110 -5.1110 -5.0911 -5.0911 -3.6850 -3.6850 -3.6721 -3.6721 -3.3963 -3.3963 -3.3437 -3.3437 -3.2409 -3.2409 -3.2191 -3.2191 -3.0818 -3.0818 -3.0700 -3.0700 -1.8154 -1.8154 -1.7776 -1.7776 3.2410 3.2410 3.2434 3.2434 7.5671 7.5671 7.5979 7.5979 8.1989 8.1989 8.2260 8.2260 14.5437 14.5437 14.5568 14.5568 17.7026 17.7026 17.7035 17.7035 k = 0.4646 0.3499 0.3078 ( 1496 PWs) bands (ev): -5.1114 -5.1114 -5.0883 -5.0883 -3.6851 -3.6851 -3.6700 -3.6700 -3.4024 -3.4024 -3.3417 -3.3417 -3.2418 -3.2418 -3.2170 -3.2170 -3.0833 -3.0833 -3.0699 -3.0699 -1.8106 -1.8106 -1.7670 -1.7670 3.2512 3.2512 3.2539 3.2539 7.4897 7.4897 7.5216 7.5216 8.2206 8.2206 8.2475 8.2475 14.5980 14.5980 14.6127 14.6127 17.7270 17.7270 17.7281 17.7281 k = 0.4596 0.3587 0.3078 ( 1498 PWs) bands (ev): -5.1116 -5.1116 -5.0854 -5.0854 -3.6851 -3.6851 -3.6675 -3.6675 -3.4086 -3.4086 -3.3402 -3.3402 -3.2425 -3.2425 -3.2148 -3.2148 -3.0849 -3.0849 -3.0699 -3.0699 -1.8046 -1.8046 -1.7556 -1.7556 3.2628 3.2628 3.2659 3.2659 7.4072 7.4072 7.4402 7.4402 8.2410 8.2410 8.2675 8.2675 14.6587 14.6587 14.6748 14.6748 17.7545 17.7545 17.7557 17.7557 k = 0.4545 0.3674 0.3078 ( 1494 PWs) bands (ev): -5.1115 -5.1115 -5.0823 -5.0823 -3.6849 -3.6849 -3.6649 -3.6649 -3.4148 -3.4148 -3.3389 -3.3389 -3.2429 -3.2429 -3.2125 -3.2125 -3.0865 -3.0865 -3.0700 -3.0700 -1.7976 -1.7976 -1.7432 -1.7432 3.2759 3.2759 3.2794 3.2794 7.3203 7.3203 7.3545 7.3545 8.2603 8.2603 8.2861 8.2861 14.7250 14.7250 14.7424 14.7424 17.7845 17.7845 17.7859 17.7859 k = 0.4495 0.3762 0.3078 ( 1494 PWs) bands (ev): -5.1113 -5.1113 -5.0791 -5.0791 -3.6847 -3.6847 -3.6621 -3.6621 -3.4212 -3.4212 -3.3381 -3.3381 -3.2432 -3.2432 -3.2102 -3.2102 -3.0881 -3.0881 -3.0703 -3.0703 -1.7894 -1.7894 -1.7300 -1.7300 3.2904 3.2904 3.2942 3.2942 7.2296 7.2296 7.2649 7.2649 8.2784 8.2784 8.3034 8.3034 14.7962 14.7962 14.8146 14.8146 17.8166 17.8166 17.8183 17.8183 k = 0.4444 0.3849 0.3078 ( 1494 PWs) bands (ev): -5.1109 -5.1109 -5.0758 -5.0758 -3.6844 -3.6844 -3.6591 -3.6591 -3.4276 -3.4276 -3.3377 -3.3377 -3.2433 -3.2433 -3.2079 -3.2079 -3.0897 -3.0897 -3.0708 -3.0708 -1.7803 -1.7803 -1.7161 -1.7161 3.3062 3.3062 3.3104 3.3104 7.1357 7.1357 7.1721 7.1721 8.2955 8.2955 8.3197 8.3197 14.8714 14.8714 14.8906 14.8906 17.8500 17.8500 17.8520 17.8520 k = 0.4394 0.3936 0.3078 ( 1494 PWs) bands (ev): -5.1104 -5.1104 -5.0724 -5.0724 -3.6840 -3.6840 -3.6559 -3.6559 -3.4340 -3.4340 -3.3376 -3.3376 -3.2432 -3.2432 -3.2056 -3.2056 -3.0914 -3.0914 -3.0714 -3.0714 -1.7701 -1.7701 -1.7016 -1.7016 3.3232 3.3232 3.3277 3.3277 7.0391 7.0391 7.0767 7.0767 8.3117 8.3117 8.3350 8.3350 14.9499 14.9499 14.9698 14.9698 17.8838 17.8838 17.8864 17.8864 k = 0.4343 0.4024 0.3078 ( 1486 PWs) bands (ev): -5.1097 -5.1097 -5.0690 -5.0690 -3.6835 -3.6835 -3.6524 -3.6524 -3.4403 -3.4403 -3.3378 -3.3378 -3.2429 -3.2429 -3.2033 -3.2033 -3.0930 -3.0930 -3.0721 -3.0721 -1.7591 -1.7591 -1.6864 -1.6864 3.3414 3.3414 3.3463 3.3463 6.9406 6.9406 6.9794 6.9794 8.3273 8.3273 8.3496 8.3496 15.0311 15.0311 15.0515 15.0515 17.9171 17.9171 17.9203 17.9203 k = 0.4293 0.4111 0.3078 ( 1490 PWs) bands (ev): -5.1089 -5.1089 -5.0656 -5.0656 -3.6830 -3.6830 -3.6489 -3.6489 -3.4467 -3.4467 -3.3382 -3.3382 -3.2426 -3.2426 -3.2009 -3.2009 -3.0947 -3.0947 -3.0729 -3.0729 -1.7474 -1.7474 -1.6708 -1.6708 3.3606 3.3606 3.3658 3.3658 6.8407 6.8407 6.8806 6.8806 8.3421 8.3421 8.3634 8.3634 15.1140 15.1140 15.1348 15.1348 17.9482 17.9482 17.9522 17.9522 k = 0.4242 0.4199 0.3078 ( 1490 PWs) bands (ev): -5.1080 -5.1080 -5.0623 -5.0623 -3.6824 -3.6824 -3.6452 -3.6452 -3.4530 -3.4530 -3.3389 -3.3389 -3.2422 -3.2422 -3.1985 -3.1985 -3.0963 -3.0963 -3.0738 -3.0738 -1.7349 -1.7349 -1.6548 -1.6548 3.3807 3.3807 3.3862 3.3862 6.7401 6.7401 6.7812 6.7812 8.3562 8.3562 8.3765 8.3765 15.1983 15.1983 15.2193 15.2193 17.9752 17.9752 17.9805 17.9805 k = 0.4192 0.4286 0.3078 ( 1498 PWs) bands (ev): -5.1071 -5.1071 -5.0590 -5.0590 -3.6819 -3.6819 -3.6414 -3.6414 -3.4592 -3.4592 -3.3398 -3.3398 -3.2418 -3.2418 -3.1961 -3.1961 -3.0980 -3.0980 -3.0748 -3.0748 -1.7218 -1.7218 -1.6385 -1.6385 3.4015 3.4015 3.4074 3.4074 6.6395 6.6395 6.6816 6.6816 8.3698 8.3698 8.3891 8.3891 15.2831 15.2831 15.3044 15.3044 17.9960 17.9960 18.0028 18.0028 k = 0.4141 0.4374 0.3078 ( 1498 PWs) bands (ev): -5.1061 -5.1061 -5.0557 -5.0557 -3.6813 -3.6813 -3.6374 -3.6374 -3.4653 -3.4653 -3.3407 -3.3407 -3.2414 -3.2414 -3.1936 -3.1936 -3.0997 -3.0997 -3.0758 -3.0758 -1.7083 -1.7083 -1.6220 -1.6220 3.4230 3.4230 3.4292 3.4292 6.5395 6.5395 6.5826 6.5826 8.3829 8.3829 8.4012 8.4012 15.3681 15.3681 15.3895 15.3895 18.0082 18.0082 18.0169 18.0169 k = 0.4091 0.4461 0.3078 ( 1498 PWs) bands (ev): -5.1050 -5.1050 -5.0524 -5.0524 -3.6807 -3.6807 -3.6334 -3.6334 -3.4712 -3.4712 -3.3418 -3.3418 -3.2409 -3.2409 -3.1911 -3.1911 -3.1014 -3.1014 -3.0768 -3.0768 -1.6943 -1.6943 -1.6054 -1.6054 3.4450 3.4450 3.4513 3.4513 6.4408 6.4408 6.4849 6.4849 8.3955 8.3955 8.4127 8.4127 15.4528 15.4528 15.4743 15.4743 18.0090 18.0090 18.0202 18.0202 k = 0.4040 0.4549 0.3078 ( 1498 PWs) bands (ev): -5.1039 -5.1039 -5.0493 -5.0493 -3.6801 -3.6801 -3.6292 -3.6292 -3.4769 -3.4769 -3.3429 -3.3429 -3.2404 -3.2404 -3.1886 -3.1886 -3.1031 -3.1031 -3.0779 -3.0779 -1.6801 -1.6801 -1.5888 -1.5888 3.4671 3.4671 3.4737 3.4737 6.3441 6.3441 6.3891 6.3891 8.4076 8.4076 8.4238 8.4238 15.5368 15.5368 15.5583 15.5583 17.9966 17.9966 18.0107 18.0107 k = 0.3990 0.4636 0.3078 ( 1498 PWs) bands (ev): -5.1027 -5.1027 -5.0463 -5.0463 -3.6796 -3.6796 -3.6250 -3.6250 -3.4825 -3.4825 -3.3441 -3.3441 -3.2400 -3.2400 -3.1860 -3.1860 -3.1048 -3.1048 -3.0789 -3.0789 -1.6658 -1.6658 -1.5724 -1.5724 3.4893 3.4893 3.4961 3.4961 6.2500 6.2500 6.2959 6.2959 8.4191 8.4191 8.4344 8.4344 15.6195 15.6195 15.6411 15.6411 17.9703 17.9703 17.9874 17.9874 k = 0.3939 0.4724 0.3078 ( 1498 PWs) bands (ev): -5.1016 -5.1016 -5.0434 -5.0434 -3.6790 -3.6790 -3.6208 -3.6208 -3.4879 -3.4879 -3.3452 -3.3452 -3.2396 -3.2396 -3.1834 -3.1834 -3.1065 -3.1065 -3.0800 -3.0800 -1.6516 -1.6516 -1.5562 -1.5562 3.5111 3.5111 3.5182 3.5182 6.1592 6.1592 6.2059 6.2059 8.4302 8.4302 8.4445 8.4445 15.7007 15.7007 15.7224 15.7224 17.9309 17.9309 17.9510 17.9510 k = 0.3889 0.4811 0.3078 ( 1498 PWs) bands (ev): -5.1004 -5.1004 -5.0407 -5.0407 -3.6784 -3.6784 -3.6166 -3.6166 -3.4929 -3.4929 -3.3464 -3.3464 -3.2392 -3.2392 -3.1808 -3.1808 -3.1082 -3.1082 -3.0810 -3.0810 -1.6374 -1.6374 -1.5405 -1.5405 3.5325 3.5325 3.5398 3.5398 6.0725 6.0725 6.1199 6.1199 8.4406 8.4406 8.4540 8.4540 15.7799 15.7799 15.8017 15.8017 17.8808 17.8808 17.9035 17.9035 k = 0.3838 0.4899 0.3078 ( 1498 PWs) bands (ev): -5.0993 -5.0993 -5.0381 -5.0381 -3.6779 -3.6779 -3.6125 -3.6125 -3.4978 -3.4978 -3.3475 -3.3475 -3.2389 -3.2389 -3.1783 -3.1783 -3.1099 -3.1099 -3.0819 -3.0819 -1.6236 -1.6236 -1.5253 -1.5253 3.5530 3.5530 3.5605 3.5605 5.9904 5.9904 6.0385 6.0385 8.4505 8.4505 8.4630 8.4630 15.8568 15.8568 15.8787 15.8787 17.8227 17.8227 17.8476 17.8476 k = 0.3788 0.4986 0.3078 ( 1490 PWs) bands (ev): -5.0982 -5.0982 -5.0357 -5.0357 -3.6774 -3.6774 -3.6084 -3.6084 -3.5023 -3.5023 -3.3486 -3.3486 -3.2386 -3.2386 -3.1757 -3.1757 -3.1115 -3.1115 -3.0827 -3.0827 -1.6103 -1.6103 -1.5107 -1.5107 3.5724 3.5724 3.5800 3.5800 5.9138 5.9138 5.9625 5.9625 8.4598 8.4598 8.4714 8.4714 15.9309 15.9309 15.9529 15.9529 17.7597 17.7597 17.7862 17.7862 k = 0.3737 0.5074 0.3078 ( 1486 PWs) bands (ev): -5.0971 -5.0971 -5.0335 -5.0335 -3.6769 -3.6769 -3.6045 -3.6045 -3.5064 -3.5064 -3.3496 -3.3496 -3.2383 -3.2383 -3.1732 -3.1732 -3.1132 -3.1132 -3.0835 -3.0835 -1.5976 -1.5976 -1.4970 -1.4970 3.5903 3.5903 3.5980 3.5980 5.8433 5.8433 5.8926 5.8926 8.4683 8.4683 8.4791 8.4791 16.0016 16.0016 16.0237 16.0237 17.6944 17.6944 17.7221 17.7221 k = 0.3687 0.5161 0.3078 ( 1494 PWs) bands (ev): -5.0962 -5.0962 -5.0316 -5.0316 -3.6766 -3.6766 -3.6010 -3.6010 -3.5103 -3.5103 -3.3505 -3.3505 -3.2382 -3.2382 -3.1709 -3.1709 -3.1148 -3.1148 -3.0842 -3.0842 -1.5858 -1.5858 -1.4843 -1.4843 3.6065 3.6065 3.6143 3.6143 5.7795 5.7795 5.8293 5.8293 8.4760 8.4760 8.4860 8.4860 16.0683 16.0683 16.0904 16.0904 17.6292 17.6292 17.6577 17.6577 k = 0.3636 0.5249 0.3078 ( 1498 PWs) bands (ev): -5.0954 -5.0954 -5.0299 -5.0299 -3.6763 -3.6763 -3.5977 -3.5977 -3.5137 -3.5137 -3.3513 -3.3513 -3.2380 -3.2380 -3.1688 -3.1688 -3.1162 -3.1162 -3.0849 -3.0849 -1.5750 -1.5750 -1.4728 -1.4728 3.6206 3.6206 3.6285 3.6285 5.7231 5.7231 5.7734 5.7734 8.4830 8.4830 8.4922 8.4922 16.1300 16.1300 16.1521 16.1521 17.5663 17.5663 17.5953 17.5953 k = 0.3586 0.5336 0.3078 ( 1498 PWs) bands (ev): -5.0946 -5.0946 -5.0284 -5.0284 -3.6760 -3.6760 -3.5948 -3.5948 -3.5166 -3.5166 -3.3520 -3.3520 -3.2379 -3.2379 -3.1668 -3.1668 -3.1176 -3.1176 -3.0854 -3.0854 -1.5653 -1.5653 -1.4626 -1.4626 3.6324 3.6324 3.6404 3.6404 5.6747 5.6747 5.7253 5.7253 8.4891 8.4891 8.4976 8.4976 16.1858 16.1858 16.2078 16.2078 17.5082 17.5082 17.5373 17.5373 k = 0.3535 0.5424 0.3078 ( 1502 PWs) bands (ev): -5.0940 -5.0940 -5.0272 -5.0272 -3.6757 -3.6757 -3.5923 -3.5923 -3.5190 -3.5190 -3.3526 -3.3526 -3.2378 -3.2378 -3.1652 -3.1652 -3.1187 -3.1187 -3.0858 -3.0858 -1.5570 -1.5570 -1.4539 -1.4539 3.6418 3.6418 3.6499 3.6499 5.6347 5.6347 5.6855 5.6855 8.4942 8.4942 8.5021 8.5021 16.2343 16.2343 16.2561 16.2561 17.4566 17.4566 17.4857 17.4857 k = 0.3485 0.5511 0.3078 ( 1502 PWs) bands (ev): -5.0934 -5.0934 -5.0262 -5.0262 -3.6755 -3.6755 -3.5903 -3.5903 -3.5209 -3.5209 -3.3531 -3.3531 -3.2377 -3.2377 -3.1638 -3.1638 -3.1197 -3.1197 -3.0862 -3.0862 -1.5502 -1.5502 -1.4468 -1.4468 3.6488 3.6488 3.6569 3.6569 5.6035 5.6035 5.6545 5.6545 8.4983 8.4983 8.5057 8.5057 16.2742 16.2742 16.2957 16.2957 17.4139 17.4139 17.4427 17.4427 k = 0.3434 0.5599 0.3078 ( 1490 PWs) bands (ev): -5.0930 -5.0930 -5.0254 -5.0254 -3.6753 -3.6753 -3.5888 -3.5888 -3.5221 -3.5221 -3.3534 -3.3534 -3.2376 -3.2376 -3.1627 -3.1627 -3.1203 -3.1203 -3.0863 -3.0863 -1.5451 -1.5451 -1.4416 -1.4416 3.6535 3.6535 3.6617 3.6617 5.5812 5.5812 5.6324 5.6324 8.5013 8.5013 8.5084 8.5084 16.3038 16.3038 16.3250 16.3250 17.3821 17.3821 17.4105 17.4105 k = 0.3384 0.5686 0.3078 ( 1494 PWs) bands (ev): -5.0927 -5.0927 -5.0250 -5.0250 -3.6753 -3.6753 -3.5880 -3.5880 -3.5229 -3.5229 -3.3536 -3.3536 -3.2376 -3.2376 -3.1621 -3.1621 -3.1207 -3.1207 -3.0865 -3.0865 -1.5420 -1.5420 -1.4383 -1.4383 3.6560 3.6560 3.6642 3.6642 5.5679 5.5679 5.6192 5.6192 8.5032 8.5032 8.5100 8.5100 16.3219 16.3219 16.3429 16.3429 17.3624 17.3624 17.3905 17.3905 k = 0.3333 0.5774 0.3078 ( 1494 PWs) bands (ev): -5.0927 -5.0927 -5.0249 -5.0249 -3.6753 -3.6753 -3.5877 -3.5877 -3.5231 -3.5231 -3.3537 -3.3537 -3.2376 -3.2376 -3.1619 -3.1619 -3.1209 -3.1209 -3.0865 -3.0865 -1.5409 -1.5409 -1.4372 -1.4372 3.6567 3.6567 3.6649 3.6649 5.5635 5.5635 5.6148 5.6148 8.5038 8.5038 8.5105 8.5105 16.3279 16.3279 16.3488 16.3488 17.3558 17.3558 17.3838 17.3838 k = 0.3333 0.5774 0.3078 ( 1494 PWs) bands (ev): -5.0927 -5.0927 -5.0249 -5.0249 -3.6753 -3.6753 -3.5877 -3.5877 -3.5231 -3.5231 -3.3537 -3.3537 -3.2376 -3.2376 -3.1619 -3.1619 -3.1209 -3.1209 -3.0865 -3.0865 -1.5409 -1.5409 -1.4372 -1.4372 3.6567 3.6567 3.6649 3.6649 5.5635 5.5635 5.6148 5.6148 8.5038 8.5038 8.5105 8.5105 16.3279 16.3279 16.3488 16.3488 17.3558 17.3558 17.3838 17.3838 k = 0.3283 0.5686 0.3078 ( 1494 PWs) bands (ev): -5.0928 -5.0928 -5.0250 -5.0250 -3.6753 -3.6753 -3.5880 -3.5880 -3.5229 -3.5229 -3.3536 -3.3536 -3.2376 -3.2376 -3.1621 -3.1621 -3.1208 -3.1208 -3.0865 -3.0865 -1.5420 -1.5420 -1.4384 -1.4384 3.6562 3.6562 3.6644 3.6644 5.5678 5.5678 5.6191 5.6191 8.5031 8.5031 8.5099 8.5099 16.3222 16.3222 16.3432 16.3432 17.3622 17.3622 17.3902 17.3902 k = 0.3232 0.5599 0.3078 ( 1490 PWs) bands (ev): -5.0930 -5.0930 -5.0255 -5.0255 -3.6753 -3.6753 -3.5887 -3.5887 -3.5223 -3.5223 -3.3534 -3.3534 -3.2376 -3.2376 -3.1627 -3.1627 -3.1204 -3.1204 -3.0864 -3.0864 -1.5455 -1.5455 -1.4419 -1.4419 3.6549 3.6549 3.6630 3.6630 5.5804 5.5804 5.6316 5.6316 8.5012 8.5012 8.5082 8.5082 16.3060 16.3060 16.3272 16.3272 17.3804 17.3804 17.4088 17.4088 k = 0.3182 0.5511 0.3078 ( 1490 PWs) bands (ev): -5.0935 -5.0935 -5.0262 -5.0262 -3.6755 -3.6755 -3.5898 -3.5898 -3.5215 -3.5215 -3.3531 -3.3531 -3.2377 -3.2377 -3.1636 -3.1636 -3.1199 -3.1199 -3.0862 -3.0862 -1.5515 -1.5515 -1.4481 -1.4481 3.6535 3.6535 3.6616 3.6616 5.6008 5.6008 5.6519 5.6519 8.4979 8.4979 8.5053 8.5053 16.2812 16.2812 16.3028 16.3028 17.4087 17.4087 17.4377 17.4377 k = 0.3131 0.5424 0.3078 ( 1496 PWs) bands (ev): -5.0942 -5.0942 -5.0273 -5.0273 -3.6757 -3.6757 -3.5912 -3.5912 -3.5206 -3.5206 -3.3527 -3.3527 -3.2377 -3.2377 -3.1648 -3.1648 -3.1193 -3.1193 -3.0859 -3.0859 -1.5601 -1.5601 -1.4568 -1.4568 3.6527 3.6527 3.6606 3.6606 5.6284 5.6284 5.6795 5.6795 8.4932 8.4932 8.5011 8.5011 16.2499 16.2499 16.2719 16.2719 17.4449 17.4449 17.4745 17.4745 k = 0.3081 0.5336 0.3078 ( 1496 PWs) bands (ev): -5.0951 -5.0951 -5.0287 -5.0287 -3.6759 -3.6759 -3.5928 -3.5928 -3.5196 -3.5196 -3.3522 -3.3522 -3.2378 -3.2378 -3.1663 -3.1663 -3.1186 -3.1186 -3.0856 -3.0856 -1.5714 -1.5714 -1.4683 -1.4683 3.6532 3.6532 3.6609 3.6609 5.6628 5.6628 5.7139 5.7139 8.4871 8.4871 8.4956 8.4956 16.2141 16.2141 16.2365 16.2365 17.4874 17.4874 17.5175 17.5175 k = 0.3030 0.5249 0.3078 ( 1496 PWs) bands (ev): -5.0962 -5.0962 -5.0303 -5.0303 -3.6761 -3.6761 -3.5947 -3.5947 -3.5186 -3.5185 -3.3517 -3.3517 -3.2379 -3.2379 -3.1679 -3.1679 -3.1179 -3.1179 -3.0853 -3.0853 -1.5854 -1.5854 -1.4825 -1.4825 3.6555 3.6555 3.6630 3.6630 5.7034 5.7034 5.7544 5.7544 8.4796 8.4796 8.4888 8.4888 16.1756 16.1756 16.1982 16.1982 17.5340 17.5340 17.5646 17.5646 k = 0.2980 0.5161 0.3078 ( 1492 PWs) bands (ev): -5.0975 -5.0975 -5.0323 -5.0323 -3.6764 -3.6764 -3.5966 -3.5966 -3.5176 -3.5176 -3.3510 -3.3510 -3.2380 -3.2380 -3.1696 -3.1696 -3.1173 -3.1173 -3.0850 -3.0850 -1.6022 -1.6022 -1.4994 -1.4994 3.6603 3.6603 3.6674 3.6674 5.7497 5.7497 5.8007 5.8007 8.4708 8.4708 8.4807 8.4807 16.1356 16.1356 16.1584 16.1584 17.5836 17.5836 17.6144 17.6144 k = 0.2929 0.5074 0.3078 ( 1492 PWs) bands (ev): -5.0991 -5.0991 -5.0347 -5.0347 -3.6767 -3.6767 -3.5986 -3.5986 -3.5167 -3.5167 -3.3504 -3.3504 -3.2381 -3.2381 -3.1715 -3.1715 -3.1167 -3.1167 -3.0846 -3.0846 -1.6218 -1.6218 -1.5192 -1.5192 3.6680 3.6680 3.6748 3.6748 5.8011 5.8011 5.8520 5.8520 8.4605 8.4605 8.4711 8.4711 16.0953 16.0953 16.1182 16.1182 17.6346 17.6346 17.6655 17.6655 k = 0.2879 0.4986 0.3078 ( 1492 PWs) bands (ev): -5.1010 -5.1010 -5.0373 -5.0373 -3.6770 -3.6770 -3.6007 -3.6007 -3.5161 -3.5161 -3.3497 -3.3497 -3.2383 -3.2383 -3.1734 -3.1734 -3.1163 -3.1163 -3.0843 -3.0843 -1.6440 -1.6440 -1.5417 -1.5417 3.6791 3.6791 3.6855 3.6855 5.8571 5.8571 5.9081 5.9081 8.4488 8.4488 8.4603 8.4603 16.0554 16.0554 16.0783 16.0783 17.6858 17.6858 17.7166 17.7166 k = 0.2828 0.4899 0.3078 ( 1496 PWs) bands (ev): -5.1032 -5.1032 -5.0404 -5.0404 -3.6774 -3.6774 -3.6029 -3.6029 -3.5156 -3.5156 -3.3490 -3.3490 -3.2385 -3.2385 -3.1754 -3.1754 -3.1161 -3.1161 -3.0840 -3.0840 -1.6690 -1.6690 -1.5669 -1.5669 3.6939 3.6939 3.6999 3.6999 5.9174 5.9174 5.9683 5.9683 8.4358 8.4358 8.4481 8.4481 16.0164 16.0164 16.0394 16.0394 17.7363 17.7363 17.7667 17.7667 k = 0.2778 0.4811 0.3078 ( 1496 PWs) bands (ev): -5.1056 -5.1056 -5.0437 -5.0437 -3.6778 -3.6778 -3.6051 -3.6051 -3.5153 -3.5153 -3.3483 -3.3483 -3.2388 -3.2388 -3.1774 -3.1774 -3.1160 -3.1160 -3.0837 -3.0837 -1.6966 -1.6966 -1.5946 -1.5946 3.7128 3.7128 3.7183 3.7183 5.9814 5.9814 6.0324 6.0324 8.4215 8.4215 8.4347 8.4347 15.9790 15.9790 16.0020 16.0020 17.7850 17.7850 17.8146 17.8146 k = 0.2727 0.4724 0.3078 ( 1496 PWs) bands (ev): -5.1083 -5.1083 -5.0475 -5.0475 -3.6782 -3.6782 -3.6073 -3.6073 -3.5152 -3.5152 -3.3477 -3.3477 -3.2391 -3.2391 -3.1794 -3.1794 -3.1161 -3.1161 -3.0835 -3.0835 -1.7266 -1.7266 -1.6248 -1.6248 3.7359 3.7359 3.7410 3.7410 6.0488 6.0488 6.0999 6.0999 8.4059 8.4059 8.4200 8.4200 15.9434 15.9434 15.9664 15.9664 17.8308 17.8308 17.8594 17.8594 k = 0.2677 0.4636 0.3078 ( 1504 PWs) bands (ev): -5.1115 -5.1115 -5.0516 -5.0516 -3.6786 -3.6786 -3.6096 -3.6096 -3.5153 -3.5153 -3.3472 -3.3472 -3.2395 -3.2395 -3.1814 -3.1814 -3.1164 -3.1164 -3.0834 -3.0834 -1.7589 -1.7589 -1.6573 -1.6573 3.7634 3.7634 3.7680 3.7680 6.1193 6.1193 6.1704 6.1704 8.3891 8.3891 8.4040 8.4040 15.9097 15.9097 15.9328 15.9328 17.8728 17.8728 17.9001 17.9001 k = 0.2626 0.4549 0.3078 ( 1508 PWs) bands (ev): -5.1149 -5.1149 -5.0561 -5.0561 -3.6790 -3.6790 -3.6119 -3.6119 -3.5157 -3.5157 -3.3467 -3.3467 -3.2400 -3.2400 -3.1833 -3.1833 -3.1170 -3.1170 -3.0833 -3.0833 -1.7934 -1.7934 -1.6920 -1.6920 3.7953 3.7953 3.7995 3.7995 6.1925 6.1925 6.2437 6.2437 8.3712 8.3712 8.3870 8.3870 15.8783 15.8783 15.9014 15.9014 17.9100 17.9100 17.9355 17.9355 k = 0.2576 0.4461 0.3078 ( 1512 PWs) bands (ev): -5.1187 -5.1187 -5.0610 -5.0610 -3.6795 -3.6795 -3.6142 -3.6142 -3.5162 -3.5162 -3.3463 -3.3463 -3.2405 -3.2405 -3.1852 -3.1852 -3.1178 -3.1178 -3.0834 -3.0834 -1.8299 -1.8299 -1.7286 -1.7286 3.8316 3.8316 3.8355 3.8355 6.2682 6.2682 6.3194 6.3194 8.3522 8.3522 8.3689 8.3689 15.8492 15.8492 15.8723 15.8723 17.9413 17.9413 17.9649 17.9649 k = 0.2525 0.4374 0.3078 ( 1512 PWs) bands (ev): -5.1228 -5.1228 -5.0662 -5.0662 -3.6799 -3.6799 -3.6165 -3.6165 -3.5170 -3.5170 -3.3460 -3.3460 -3.2411 -3.2411 -3.1870 -3.1870 -3.1188 -3.1188 -3.0835 -3.0835 -1.8682 -1.8682 -1.7670 -1.7670 3.8723 3.8723 3.8761 3.8761 6.3460 6.3460 6.3972 6.3972 8.3323 8.3323 8.3499 8.3499 15.8225 15.8225 15.8456 15.8456 17.9661 17.9661 17.9877 17.9877 k = 0.2475 0.4286 0.3078 ( 1504 PWs) bands (ev): -5.1272 -5.1272 -5.0718 -5.0718 -3.6802 -3.6802 -3.6188 -3.6188 -3.5180 -3.5180 -3.3458 -3.3458 -3.2418 -3.2418 -3.1887 -3.1887 -3.1200 -3.1200 -3.0836 -3.0836 -1.9080 -1.9080 -1.8069 -1.8069 3.9174 3.9174 3.9211 3.9211 6.4258 6.4258 6.4770 6.4770 8.3117 8.3117 8.3302 8.3302 15.7982 15.7982 15.8214 15.8214 17.9837 17.9837 18.0032 18.0032 k = 0.2424 0.4199 0.3078 ( 1500 PWs) bands (ev): -5.1321 -5.1321 -5.0779 -5.0779 -3.6806 -3.6806 -3.6211 -3.6211 -3.5192 -3.5192 -3.3457 -3.3457 -3.2425 -3.2425 -3.1902 -3.1902 -3.1215 -3.1215 -3.0839 -3.0839 -1.9491 -1.9491 -1.8481 -1.8481 3.9667 3.9667 3.9705 3.9705 6.5072 6.5072 6.5584 6.5584 8.2903 8.2903 8.3097 8.3097 15.7763 15.7763 15.7995 15.7995 17.9936 17.9936 18.0114 18.0114 k = 0.2374 0.4111 0.3078 ( 1496 PWs) bands (ev): -5.1374 -5.1374 -5.0844 -5.0844 -3.6810 -3.6810 -3.6235 -3.6235 -3.5207 -3.5207 -3.3458 -3.3458 -3.2434 -3.2434 -3.1917 -3.1917 -3.1232 -3.1232 -3.0842 -3.0842 -1.9914 -1.9914 -1.8904 -1.8904 4.0200 4.0200 4.0241 4.0241 6.5900 6.5900 6.6412 6.6412 8.2684 8.2684 8.2887 8.2887 15.7567 15.7567 15.7800 15.7800 17.9960 17.9960 18.0123 18.0123 k = 0.2323 0.4024 0.3078 ( 1496 PWs) bands (ev): -5.1432 -5.1432 -5.0913 -5.0913 -3.6814 -3.6814 -3.6259 -3.6259 -3.5224 -3.5224 -3.3462 -3.3462 -3.2445 -3.2445 -3.1931 -3.1931 -3.1252 -3.1252 -3.0847 -3.0847 -2.0346 -2.0346 -1.9336 -1.9336 4.0773 4.0773 4.0817 4.0817 6.6739 6.6739 6.7251 6.7251 8.2461 8.2461 8.2673 8.2673 15.7393 15.7393 15.7628 15.7628 17.9910 17.9910 18.0063 18.0063 k = 0.2273 0.3936 0.3078 ( 1502 PWs) bands (ev): -5.1494 -5.1494 -5.0988 -5.0988 -3.6818 -3.6818 -3.6283 -3.6283 -3.5244 -3.5244 -3.3467 -3.3467 -3.2456 -3.2456 -3.1944 -3.1944 -3.1274 -3.1274 -3.0853 -3.0853 -2.0785 -2.0785 -1.9774 -1.9774 4.1383 4.1383 4.1432 4.1432 6.7588 6.7588 6.8098 6.8098 8.2235 8.2235 8.2457 8.2457 15.7240 15.7240 15.7477 15.7477 17.9793 17.9793 17.9939 17.9939 k = 0.2222 0.3849 0.3078 ( 1502 PWs) bands (ev): -5.1561 -5.1561 -5.1066 -5.1066 -3.6822 -3.6822 -3.6307 -3.6307 -3.5266 -3.5266 -3.3475 -3.3475 -3.2469 -3.2469 -3.1956 -3.1956 -3.1298 -3.1298 -3.0860 -3.0860 -2.1229 -2.1229 -2.0216 -2.0216 4.2028 4.2028 4.2082 4.2082 6.8444 6.8444 6.8953 6.8953 8.2009 8.2009 8.2241 8.2241 15.7109 15.7109 15.7347 15.7347 17.9617 17.9617 17.9760 17.9760 k = 0.2172 0.3762 0.3078 ( 1510 PWs) bands (ev): -5.1633 -5.1633 -5.1150 -5.1150 -3.6827 -3.6827 -3.6333 -3.6333 -3.5290 -3.5290 -3.3485 -3.3485 -3.2482 -3.2482 -3.1968 -3.1968 -3.1324 -3.1324 -3.0869 -3.0869 -2.1674 -2.1674 -2.0660 -2.0660 4.2706 4.2706 4.2765 4.2765 6.9305 6.9305 6.9811 6.9811 8.1785 8.1785 8.2027 8.2027 15.6996 15.6996 15.7236 15.7236 17.9389 17.9389 17.9531 17.9531 k = 0.2121 0.3674 0.3078 ( 1510 PWs) bands (ev): -5.1710 -5.1710 -5.1238 -5.1238 -3.6831 -3.6831 -3.6358 -3.6358 -3.5316 -3.5316 -3.3497 -3.3497 -3.2497 -3.2497 -3.1979 -3.1979 -3.1351 -3.1351 -3.0878 -3.0878 -2.2121 -2.2121 -2.1103 -2.1103 4.3416 4.3416 4.3480 4.3480 7.0168 7.0168 7.0670 7.0670 8.1566 8.1566 8.1818 8.1818 15.6902 15.6902 15.7144 15.7144 17.9118 17.9118 17.9261 17.9261 k = 0.2071 0.3587 0.3078 ( 1510 PWs) bands (ev): -5.1791 -5.1791 -5.1332 -5.1332 -3.6835 -3.6835 -3.6383 -3.6383 -3.5345 -3.5345 -3.3512 -3.3512 -3.2512 -3.2512 -3.1989 -3.1989 -3.1380 -3.1380 -3.0888 -3.0888 -2.2565 -2.2565 -2.1544 -2.1544 4.4153 4.4153 4.4223 4.4223 7.1030 7.1030 7.1528 7.1528 8.1355 8.1355 8.1617 8.1617 15.6823 15.6823 15.7067 15.7067 17.8811 17.8811 17.8957 17.8957 k = 0.2020 0.3499 0.3078 ( 1504 PWs) bands (ev): -5.1878 -5.1878 -5.1430 -5.1430 -3.6839 -3.6839 -3.6408 -3.6408 -3.5376 -3.5376 -3.3530 -3.3530 -3.2527 -3.2527 -3.1998 -3.1998 -3.1408 -3.1408 -3.0900 -3.0900 -2.3006 -2.3006 -2.1980 -2.1980 4.4916 4.4916 4.4991 4.4991 7.1889 7.1889 7.2381 7.2381 8.1155 8.1155 8.1428 8.1428 15.6758 15.6758 15.7005 15.7005 17.8477 17.8477 17.8625 17.8625 k = 0.1970 0.3412 0.3078 ( 1504 PWs) bands (ev): -5.1969 -5.1969 -5.1533 -5.1533 -3.6845 -3.6845 -3.6434 -3.6434 -3.5409 -3.5409 -3.3551 -3.3551 -3.2542 -3.2542 -3.2008 -3.2008 -3.1437 -3.1437 -3.0912 -3.0912 -2.3442 -2.3442 -2.2410 -2.2410 4.5700 4.5700 4.5780 4.5780 7.2741 7.2741 7.3225 7.3225 8.0970 8.0970 8.1254 8.1254 15.6704 15.6704 15.6954 15.6954 17.8121 17.8121 17.8273 17.8273 k = 0.1919 0.3324 0.3078 ( 1500 PWs) bands (ev): -5.2066 -5.2066 -5.1641 -5.1641 -3.6850 -3.6850 -3.6460 -3.6460 -3.5444 -3.5444 -3.3575 -3.3575 -3.2558 -3.2558 -3.2018 -3.2018 -3.1466 -3.1466 -3.0925 -3.0925 -2.3871 -2.3871 -2.2832 -2.2832 4.6504 4.6504 4.6588 4.6588 7.3582 7.3582 7.4056 7.4056 8.0805 8.0805 8.1101 8.1101 15.6658 15.6658 15.6910 15.6910 17.7749 17.7749 17.7907 17.7907 k = 0.1869 0.3237 0.3078 ( 1500 PWs) bands (ev): -5.2169 -5.2169 -5.1754 -5.1754 -3.6856 -3.6856 -3.6486 -3.6486 -3.5481 -3.5481 -3.3603 -3.3603 -3.2574 -3.2574 -3.2029 -3.2029 -3.1494 -3.1494 -3.0940 -3.0940 -2.4291 -2.4291 -2.3244 -2.3244 4.7323 4.7323 4.7411 4.7411 7.4406 7.4406 7.4865 7.4865 8.0667 8.0667 8.0975 8.0975 15.6618 15.6618 15.6872 15.6872 17.7369 17.7369 17.7533 17.7533 k = 0.1818 0.3149 0.3078 ( 1500 PWs) bands (ev): -5.2277 -5.2277 -5.1873 -5.1873 -3.6863 -3.6863 -3.6512 -3.6512 -3.5521 -3.5521 -3.3633 -3.3633 -3.2590 -3.2590 -3.2040 -3.2040 -3.1521 -3.1521 -3.0955 -3.0955 -2.4702 -2.4702 -2.3646 -2.3646 4.8154 4.8154 4.8246 4.8246 7.5206 7.5206 7.5646 7.5646 8.0566 8.0566 8.0886 8.0886 15.6578 15.6578 15.6836 15.6836 17.6987 17.6987 17.7158 17.7158 k = 0.1768 0.3062 0.3078 ( 1496 PWs) bands (ev): -5.2389 -5.2389 -5.1996 -5.1996 -3.6871 -3.6871 -3.6538 -3.6538 -3.5562 -3.5562 -3.3667 -3.3667 -3.2605 -3.2605 -3.2053 -3.2053 -3.1547 -3.1547 -3.0971 -3.0971 -2.5102 -2.5102 -2.4035 -2.4035 4.8993 4.8993 4.9088 4.9088 7.5971 7.5971 7.6383 7.6383 8.0516 8.0516 8.0848 8.0848 15.6536 15.6536 15.6797 15.6797 17.6609 17.6609 17.6789 17.6789 k = 0.1717 0.2974 0.3078 ( 1502 PWs) bands (ev): -5.2507 -5.2507 -5.2124 -5.2124 -3.6881 -3.6881 -3.6565 -3.6565 -3.5605 -3.5605 -3.3704 -3.3704 -3.2620 -3.2620 -3.2068 -3.2068 -3.1570 -3.1570 -3.0989 -3.0989 -2.5490 -2.5490 -2.4412 -2.4412 4.9835 4.9835 4.9933 4.9933 7.6686 7.6686 7.7057 7.7057 8.0535 8.0535 8.0878 8.0878 15.6487 15.6487 15.6750 15.6750 17.6243 17.6243 17.6433 17.6433 k = 0.1667 0.2887 0.3078 ( 1516 PWs) bands (ev): -5.2630 -5.2630 -5.2257 -5.2257 -3.6892 -3.6892 -3.6592 -3.6592 -3.5650 -3.5650 -3.3744 -3.3744 -3.2635 -3.2635 -3.2085 -3.2085 -3.1592 -3.1592 -3.1007 -3.1007 -2.5866 -2.5866 -2.4776 -2.4776 5.0676 5.0676 5.0776 5.0776 7.7328 7.7328 7.7641 7.7641 8.0650 8.0650 8.1003 8.1003 15.6425 15.6425 15.6691 15.6691 17.5895 17.5895 17.6095 17.6095 k = 0.1616 0.2799 0.3078 ( 1516 PWs) bands (ev): -5.2757 -5.2757 -5.2395 -5.2395 -3.6905 -3.6905 -3.6618 -3.6618 -3.5696 -3.5696 -3.3786 -3.3786 -3.2649 -3.2649 -3.2103 -3.2103 -3.1611 -3.1611 -3.1025 -3.1025 -2.6227 -2.6227 -2.5125 -2.5125 5.1511 5.1511 5.1614 5.1614 7.7872 7.7872 7.8117 7.8117 8.0885 8.0885 8.1250 8.1250 15.6346 15.6346 15.6614 15.6614 17.5574 17.5574 17.5786 17.5786 k = 0.1566 0.2712 0.3078 ( 1516 PWs) bands (ev): -5.2889 -5.2889 -5.2536 -5.2536 -3.6919 -3.6919 -3.6644 -3.6644 -3.5741 -3.5741 -3.3830 -3.3830 -3.2663 -3.2663 -3.2124 -3.2124 -3.1626 -3.1626 -3.1043 -3.1043 -2.6574 -2.6574 -2.5460 -2.5460 5.2337 5.2337 5.2441 5.2441 7.8296 7.8296 7.8488 7.8488 8.1250 8.1250 8.1631 8.1631 15.6244 15.6244 15.6514 15.6514 17.5286 17.5286 17.5511 17.5511 k = 0.1515 0.2624 0.3078 ( 1512 PWs) bands (ev): -5.3025 -5.3025 -5.2682 -5.2682 -3.6935 -3.6935 -3.6670 -3.6670 -3.5787 -3.5787 -3.3876 -3.3876 -3.2675 -3.2675 -3.2147 -3.2147 -3.1638 -3.1638 -3.1060 -3.1060 -2.6905 -2.6905 -2.5780 -2.5780 5.3146 5.3146 5.3252 5.3252 7.8607 7.8607 7.8786 7.8786 8.1731 8.1731 8.2128 8.2128 15.6114 15.6114 15.6384 15.6384 17.5039 17.5039 17.5277 17.5277 k = 0.1465 0.2537 0.3078 ( 1508 PWs) bands (ev): -5.3164 -5.3164 -5.2831 -5.2831 -3.6953 -3.6953 -3.6697 -3.6697 -3.5832 -3.5832 -3.3923 -3.3923 -3.2688 -3.2688 -3.2173 -3.2173 -3.1646 -3.1646 -3.1078 -3.1078 -2.7220 -2.7220 -2.6085 -2.6085 5.3935 5.3935 5.4041 5.4041 7.8844 7.8844 7.9044 7.9044 8.2295 8.2295 8.2704 8.2704 15.5948 15.5948 15.6220 15.6220 17.4839 17.4839 17.5090 17.5090 k = 0.1414 0.2449 0.3078 ( 1506 PWs) bands (ev): -5.3306 -5.3306 -5.2984 -5.2984 -3.6974 -3.6974 -3.6724 -3.6724 -3.5875 -3.5875 -3.3972 -3.3972 -3.2699 -3.2699 -3.2202 -3.2202 -3.1652 -3.1652 -3.1096 -3.1096 -2.7519 -2.7519 -2.6375 -2.6375 5.4697 5.4697 5.4804 5.4804 7.9057 7.9057 7.9287 7.9287 8.2909 8.2909 8.3324 8.3324 15.5744 15.5744 15.6016 15.6016 17.4693 17.4693 17.4957 17.4957 k = 0.1364 0.2362 0.3078 ( 1508 PWs) bands (ev): -5.3452 -5.3452 -5.3139 -5.3139 -3.6996 -3.6996 -3.6753 -3.6753 -3.5917 -3.5917 -3.4021 -3.4021 -3.2711 -3.2711 -3.2233 -3.2233 -3.1655 -3.1655 -3.1113 -3.1113 -2.7802 -2.7802 -2.6652 -2.6652 5.5427 5.5427 5.5534 5.5534 7.9278 7.9278 7.9535 7.9535 8.3549 8.3549 8.3963 8.3963 15.5496 15.5496 15.5767 15.5767 17.4605 17.4605 17.4883 17.4883 k = 0.1313 0.2274 0.3078 ( 1508 PWs) bands (ev): -5.3599 -5.3599 -5.3297 -5.3297 -3.7020 -3.7020 -3.6783 -3.6783 -3.5955 -3.5955 -3.4071 -3.4071 -3.2722 -3.2722 -3.2267 -3.2267 -3.1655 -3.1655 -3.1129 -3.1129 -2.8068 -2.8068 -2.6914 -2.6914 5.6121 5.6121 5.6228 5.6228 7.9527 7.9527 7.9808 7.9808 8.4196 8.4197 8.4607 8.4607 15.5201 15.5201 15.5470 15.5470 17.4581 17.4581 17.4870 17.4870 k = 0.1263 0.2187 0.3078 ( 1512 PWs) bands (ev): -5.3749 -5.3749 -5.3456 -5.3456 -3.7045 -3.7045 -3.6815 -3.6815 -3.5990 -3.5990 -3.4122 -3.4122 -3.2733 -3.2733 -3.2304 -3.2304 -3.1653 -3.1653 -3.1145 -3.1145 -2.8318 -2.8318 -2.7163 -2.7163 5.6772 5.6772 5.6880 5.6880 7.9816 7.9816 8.0117 8.0117 8.4841 8.4841 8.5245 8.5245 15.4857 15.4857 15.5124 15.5124 17.4621 17.4621 17.4922 17.4922 k = 0.1212 0.2099 0.3078 ( 1516 PWs) bands (ev): -5.3899 -5.3899 -5.3617 -5.3617 -3.7072 -3.7072 -3.6850 -3.6850 -3.6019 -3.6019 -3.4173 -3.4173 -3.2744 -3.2744 -3.2342 -3.2342 -3.1648 -3.1648 -3.1159 -3.1159 -2.8551 -2.8551 -2.7399 -2.7399 5.7379 5.7379 5.7486 5.7486 8.0153 8.0153 8.0469 8.0469 8.5476 8.5476 8.5870 8.5870 15.4464 15.4464 15.4728 15.4728 17.4727 17.4727 17.5038 17.5038 k = 0.1162 0.2012 0.3078 ( 1516 PWs) bands (ev): -5.4050 -5.4050 -5.3778 -5.3778 -3.7099 -3.7099 -3.6888 -3.6888 -3.6043 -3.6043 -3.4224 -3.4224 -3.2755 -3.2755 -3.2382 -3.2382 -3.1640 -3.1640 -3.1173 -3.1173 -2.8768 -2.8768 -2.7622 -2.7622 5.7938 5.7938 5.8044 5.8044 8.0544 8.0544 8.0872 8.0872 8.6096 8.6096 8.6480 8.6480 15.4022 15.4022 15.4282 15.4282 17.4899 17.4899 17.5219 17.5219 k = 0.1111 0.1925 0.3078 ( 1524 PWs) bands (ev): -5.4201 -5.4201 -5.3939 -5.3939 -3.7127 -3.7127 -3.6928 -3.6928 -3.6063 -3.6063 -3.4276 -3.4276 -3.2766 -3.2766 -3.2425 -3.2425 -3.1630 -3.1630 -3.1185 -3.1185 -2.8968 -2.8968 -2.7834 -2.7834 5.8447 5.8447 5.8551 5.8551 8.0988 8.0988 8.1326 8.1326 8.6697 8.6697 8.7069 8.7069 15.3534 15.3534 15.3788 15.3788 17.5133 17.5133 17.5460 17.5460 k = 0.1061 0.1837 0.3078 ( 1520 PWs) bands (ev): -5.4351 -5.4351 -5.4100 -5.4100 -3.7156 -3.7156 -3.6969 -3.6969 -3.6076 -3.6076 -3.4327 -3.4327 -3.2777 -3.2777 -3.2467 -3.2467 -3.1617 -3.1617 -3.1195 -3.1195 -2.9153 -2.9153 -2.8035 -2.8035 5.8905 5.8905 5.9007 5.9007 8.1487 8.1487 8.1833 8.1833 8.7278 8.7278 8.7638 8.7638 15.3002 15.3002 15.3251 15.3251 17.5427 17.5427 17.5760 17.5760 k = 0.1010 0.1750 0.3078 ( 1520 PWs) bands (ev): -5.4499 -5.4499 -5.4259 -5.4259 -3.7184 -3.7184 -3.7013 -3.7013 -3.6084 -3.6084 -3.4379 -3.4379 -3.2787 -3.2787 -3.2511 -3.2511 -3.1603 -3.1603 -3.1204 -3.1204 -2.9324 -2.9324 -2.8225 -2.8225 5.9312 5.9312 5.9412 5.9412 8.2040 8.2040 8.2390 8.2390 8.7835 8.7835 8.8182 8.8182 15.2431 15.2431 15.2673 15.2673 17.5775 17.5775 17.6112 17.6112 k = 0.0960 0.1662 0.3078 ( 1520 PWs) bands (ev): -5.4645 -5.4645 -5.4416 -5.4416 -3.7213 -3.7213 -3.7057 -3.7057 -3.6087 -3.6087 -3.4431 -3.4431 -3.2798 -3.2798 -3.2555 -3.2555 -3.1586 -3.1586 -3.1211 -3.1211 -2.9479 -2.9479 -2.8405 -2.8405 5.9670 5.9670 5.9767 5.9767 8.2642 8.2642 8.2993 8.2993 8.8369 8.8369 8.8702 8.8702 15.1824 15.1824 15.2060 15.2060 17.6172 17.6172 17.6512 17.6512 k = 0.0909 0.1575 0.3078 ( 1516 PWs) bands (ev): -5.4788 -5.4788 -5.4570 -5.4570 -3.7241 -3.7241 -3.7101 -3.7101 -3.6084 -3.6084 -3.4483 -3.4483 -3.2809 -3.2809 -3.2599 -3.2599 -3.1567 -3.1567 -3.1216 -3.1216 -2.9622 -2.9622 -2.8576 -2.8576 5.9982 5.9982 6.0076 6.0076 8.3289 8.3289 8.3640 8.3640 8.8878 8.8878 8.9196 8.9196 15.1188 15.1188 15.1417 15.1417 17.6612 17.6612 17.6953 17.6953 k = 0.0859 0.1487 0.3078 ( 1520 PWs) bands (ev): -5.4928 -5.4928 -5.4721 -5.4721 -3.7269 -3.7269 -3.7146 -3.7146 -3.6078 -3.6078 -3.4536 -3.4536 -3.2821 -3.2821 -3.2642 -3.2642 -3.1546 -3.1546 -3.1221 -3.1221 -2.9752 -2.9752 -2.8739 -2.8739 6.0250 6.0250 6.0340 6.0340 8.3974 8.3974 8.4322 8.4322 8.9361 8.9361 8.9663 8.9663 15.0527 15.0527 15.0748 15.0748 17.7088 17.7088 17.7427 17.7427 k = 0.0808 0.1400 0.3078 ( 1520 PWs) bands (ev): -5.5063 -5.5063 -5.4868 -5.4868 -3.7296 -3.7296 -3.7189 -3.7189 -3.6066 -3.6066 -3.4590 -3.4590 -3.2833 -3.2833 -3.2684 -3.2684 -3.1523 -3.1523 -3.1223 -3.1223 -2.9869 -2.9869 -2.8892 -2.8892 6.0478 6.0478 6.0563 6.0563 8.4690 8.4690 8.5033 8.5033 8.9816 8.9816 9.0103 9.0103 14.9848 14.9848 15.0062 15.0062 17.7593 17.7593 17.7929 17.7929 k = 0.0758 0.1312 0.3078 ( 1522 PWs) bands (ev): -5.5193 -5.5193 -5.5010 -5.5010 -3.7323 -3.7323 -3.7232 -3.7232 -3.6051 -3.6051 -3.4644 -3.4644 -3.2845 -3.2845 -3.2724 -3.2724 -3.1498 -3.1498 -3.1225 -3.1225 -2.9976 -2.9976 -2.9039 -2.9039 6.0670 6.0670 6.0750 6.0750 8.5430 8.5430 8.5766 8.5766 9.0245 9.0245 9.0515 9.0515 14.9157 14.9157 14.9363 14.9363 17.8119 17.8119 17.8451 17.8451 k = 0.0707 0.1225 0.3078 ( 1522 PWs) bands (ev): -5.5318 -5.5318 -5.5146 -5.5146 -3.7348 -3.7348 -3.7272 -3.7272 -3.6033 -3.6033 -3.4699 -3.4699 -3.2857 -3.2857 -3.2761 -3.2761 -3.1472 -3.1472 -3.1224 -3.1224 -3.0072 -3.0072 -2.9178 -2.9178 6.0830 6.0830 6.0905 6.0905 8.6186 8.6186 8.6512 8.6512 9.0646 9.0646 9.0900 9.0900 14.8461 14.8461 14.8657 14.8657 17.8659 17.8659 17.8984 17.8984 k = 0.0657 0.1137 0.3078 ( 1526 PWs) bands (ev): -5.5437 -5.5437 -5.5277 -5.5277 -3.7373 -3.7373 -3.7310 -3.7310 -3.6011 -3.6011 -3.4754 -3.4754 -3.2870 -3.2870 -3.2796 -3.2796 -3.1444 -3.1444 -3.1223 -3.1223 -3.0159 -3.0159 -2.9309 -2.9309 6.0962 6.0962 6.1031 6.1031 8.6948 8.6948 8.7263 8.7263 9.1020 9.1020 9.1256 9.1256 14.7765 14.7765 14.7953 14.7953 17.9205 17.9205 17.9522 17.9522 k = 0.0606 0.1050 0.3078 ( 1526 PWs) bands (ev): -5.5548 -5.5548 -5.5401 -5.5401 -3.7397 -3.7397 -3.7346 -3.7346 -3.5985 -3.5985 -3.4810 -3.4810 -3.2884 -3.2884 -3.2827 -3.2827 -3.1414 -3.1414 -3.1220 -3.1220 -3.0236 -3.0236 -2.9434 -2.9434 6.1069 6.1069 6.1133 6.1133 8.7708 8.7708 8.8009 8.8009 9.1366 9.1366 9.1586 9.1586 14.7078 14.7078 14.7256 14.7256 17.9750 17.9750 18.0056 18.0056 k = 0.0556 0.0962 0.3078 ( 1522 PWs) bands (ev): -5.5653 -5.5653 -5.5517 -5.5517 -3.7419 -3.7419 -3.7379 -3.7379 -3.5957 -3.5957 -3.4867 -3.4867 -3.2897 -3.2897 -3.2854 -3.2854 -3.1384 -3.1384 -3.1216 -3.1216 -3.0304 -3.0304 -2.9552 -2.9552 6.1156 6.1156 6.1214 6.1214 8.8456 8.8456 8.8742 8.8742 9.1685 9.1685 9.1887 9.1887 14.6405 14.6405 14.6574 14.6574 18.0286 18.0286 18.0580 18.0580 k = 0.0505 0.0875 0.3078 ( 1518 PWs) bands (ev): -5.5750 -5.5750 -5.5626 -5.5626 -3.7440 -3.7440 -3.7409 -3.7409 -3.5925 -3.5925 -3.4924 -3.4924 -3.2912 -3.2912 -3.2878 -3.2878 -3.1352 -3.1352 -3.1210 -3.1210 -3.0364 -3.0364 -2.9665 -2.9665 6.1225 6.1225 6.1278 6.1278 8.9183 8.9183 8.9452 8.9452 9.1977 9.1977 9.2161 9.2161 14.5756 14.5756 14.5914 14.5914 18.0807 18.0807 18.1084 18.1084 k = 0.0455 0.0787 0.3078 ( 1518 PWs) bands (ev): -5.5838 -5.5838 -5.5727 -5.5727 -3.7459 -3.7459 -3.7436 -3.7436 -3.5891 -3.5891 -3.4981 -3.4981 -3.2927 -3.2927 -3.2897 -3.2897 -3.1320 -3.1320 -3.1204 -3.1204 -3.0416 -3.0416 -2.9771 -2.9771 6.1279 6.1279 6.1327 6.1327 8.9880 8.9880 9.0130 9.0130 9.2241 9.2241 9.2407 9.2407 14.5137 14.5137 14.5284 14.5284 18.1303 18.1303 18.1563 18.1563 k = 0.0404 0.0700 0.3078 ( 1518 PWs) bands (ev): -5.5918 -5.5918 -5.5818 -5.5818 -3.7477 -3.7477 -3.7461 -3.7461 -3.5855 -3.5855 -3.5039 -3.5039 -3.2942 -3.2942 -3.2913 -3.2913 -3.1289 -3.1289 -3.1197 -3.1197 -3.0459 -3.0459 -2.9872 -2.9872 6.1321 6.1321 6.1363 6.1363 9.0537 9.0537 9.0766 9.0766 9.2478 9.2478 9.2626 9.2626 14.4556 14.4556 14.4690 14.4690 18.1770 18.1770 18.2009 18.2009 k = 0.0354 0.0612 0.3078 ( 1518 PWs) bands (ev): -5.5988 -5.5988 -5.5901 -5.5901 -3.7493 -3.7493 -3.7482 -3.7482 -3.5816 -3.5816 -3.5097 -3.5097 -3.2955 -3.2955 -3.2927 -3.2927 -3.1258 -3.1258 -3.1190 -3.1189 -3.0494 -3.0494 -2.9966 -2.9966 6.1354 6.1354 6.1391 6.1391 9.1144 9.1144 9.1351 9.1351 9.2688 9.2688 9.2818 9.2818 14.4021 14.4021 14.4142 14.4142 18.2199 18.2199 18.2416 18.2416 k = 0.0303 0.0525 0.3078 ( 1518 PWs) bands (ev): -5.6049 -5.6049 -5.5975 -5.5975 -3.7508 -3.7508 -3.7501 -3.7501 -3.5775 -3.5775 -3.5154 -3.5154 -3.2967 -3.2967 -3.2939 -3.2939 -3.1230 -3.1230 -3.1181 -3.1181 -3.0520 -3.0520 -3.0055 -3.0055 6.1379 6.1379 6.1410 6.1410 9.1694 9.1694 9.1877 9.1877 9.2872 9.2872 9.2984 9.2984 14.3539 14.3539 14.3646 14.3646 18.2586 18.2586 18.2777 18.2777 k = 0.0253 0.0437 0.3078 ( 1518 PWs) bands (ev): -5.6100 -5.6100 -5.6038 -5.6038 -3.7520 -3.7520 -3.7516 -3.7516 -3.5731 -3.5731 -3.5211 -3.5211 -3.2976 -3.2976 -3.2950 -3.2950 -3.1204 -3.1204 -3.1173 -3.1173 -3.0536 -3.0536 -3.0139 -3.0139 6.1398 6.1398 6.1423 6.1423 9.2177 9.2177 9.2334 9.2334 9.3030 9.3030 9.3123 9.3123 14.3119 14.3119 14.3209 14.3209 18.2926 18.2926 18.3089 18.3089 k = 0.0202 0.0350 0.3078 ( 1522 PWs) bands (ev): -5.6141 -5.6141 -5.6092 -5.6092 -3.7531 -3.7531 -3.7529 -3.7529 -3.5686 -3.5686 -3.5268 -3.5268 -3.2983 -3.2983 -3.2960 -3.2960 -3.1182 -3.1182 -3.1165 -3.1165 -3.0542 -3.0542 -3.0216 -3.0216 6.1412 6.1412 6.1432 6.1432 9.2584 9.2584 9.2713 9.2713 9.3163 9.3163 9.3237 9.3237 14.2766 14.2766 14.2840 14.2840 18.3213 18.3213 18.3347 18.3347 k = 0.0152 0.0262 0.3078 ( 1520 PWs) bands (ev): -5.6172 -5.6172 -5.6135 -5.6135 -3.7539 -3.7539 -3.7538 -3.7538 -3.5639 -3.5639 -3.5325 -3.5325 -3.2987 -3.2987 -3.2969 -3.2969 -3.1165 -3.1165 -3.1157 -3.1157 -3.0537 -3.0537 -3.0287 -3.0287 6.1422 6.1422 6.1437 6.1437 9.2908 9.2908 9.3006 9.3006 9.3276 9.3276 9.3328 9.3328 14.2487 14.2487 14.2543 14.2543 18.3445 18.3445 18.3547 18.3547 k = 0.0101 0.0175 0.3078 ( 1520 PWs) bands (ev): -5.6192 -5.6192 -5.6168 -5.6168 -3.7545 -3.7545 -3.7545 -3.7545 -3.5590 -3.5590 -3.5380 -3.5380 -3.2988 -3.2988 -3.2976 -3.2976 -3.1153 -3.1153 -3.1150 -3.1150 -3.0520 -3.0520 -3.0351 -3.0351 6.1429 6.1429 6.1440 6.1440 9.3137 9.3137 9.3199 9.3199 9.3375 9.3375 9.3401 9.3401 14.2286 14.2286 14.2324 14.2324 18.3617 18.3617 18.3686 18.3686 k = 0.0051 0.0087 0.3078 ( 1520 PWs) bands (ev): -5.6202 -5.6202 -5.6190 -5.6190 -3.7549 -3.7549 -3.7549 -3.7549 -3.5539 -3.5539 -3.5434 -3.5434 -3.2988 -3.2988 -3.2982 -3.2982 -3.1146 -3.1146 -3.1146 -3.1146 -3.0493 -3.0493 -3.0407 -3.0407 6.1435 6.1435 6.1440 6.1440 9.3266 9.3266 9.3292 9.3292 9.3454 9.3454 9.3459 9.3459 14.2168 14.2169 14.2188 14.2188 18.3729 18.3729 18.3763 18.3763 k = 0.0000 0.0000 0.3078 ( 1520 PWs) bands (ev): -5.6201 -5.6201 -5.6201 -5.6201 -3.7550 -3.7550 -3.7550 -3.7550 -3.5488 -3.5488 -3.5488 -3.5488 -3.2986 -3.2986 -3.2986 -3.2986 -3.1144 -3.1144 -3.1144 -3.1144 -3.0454 -3.0454 -3.0454 -3.0454 6.1438 6.1438 6.1438 6.1438 9.3311 9.3311 9.3311 9.3311 9.3485 9.3485 9.3485 9.3485 14.2135 14.2135 14.2135 14.2135 18.3778 18.3778 18.3778 18.3778 k = 0.5000 0.2887 0.3078 ( 1488 PWs) bands (ev): -5.1047 -5.1047 -5.1047 -5.1047 -3.6816 -3.6816 -3.6816 -3.6816 -3.3642 -3.3642 -3.3642 -3.3642 -3.2318 -3.2318 -3.2318 -3.2318 -3.0739 -3.0739 -3.0739 -3.0739 -1.8182 -1.8182 -1.8182 -1.8182 3.2131 3.2131 3.2131 3.2131 7.8647 7.8647 7.8647 7.8647 8.0922 8.0922 8.0922 8.0922 14.3875 14.3875 14.3875 14.3875 17.6323 17.6323 17.6323 17.6323 k = 0.5000 0.2887 0.2979 ( 1492 PWs) bands (ev): -5.1095 -5.1095 -5.1003 -5.1003 -3.6845 -3.6845 -3.6787 -3.6787 -3.3688 -3.3688 -3.3598 -3.3598 -3.2332 -3.2332 -3.2303 -3.2303 -3.0765 -3.0765 -3.0714 -3.0714 -1.8319 -1.8319 -1.8043 -1.8043 3.1846 3.1846 3.2443 3.2443 7.8222 7.8222 7.9071 7.9071 8.0226 8.0226 8.1565 8.1565 14.3309 14.3309 14.4471 14.4471 17.5874 17.5874 17.6786 17.6786 k = 0.5000 0.2887 0.2879 ( 1500 PWs) bands (ev): -5.1146 -5.1146 -5.0961 -5.0961 -3.6873 -3.6873 -3.6756 -3.6756 -3.3734 -3.3734 -3.3555 -3.3555 -3.2344 -3.2344 -3.2287 -3.2287 -3.0792 -3.0792 -3.0689 -3.0689 -1.8453 -1.8453 -1.7903 -1.7903 3.1589 3.1589 3.2781 3.2781 7.7799 7.7799 7.9399 7.9399 7.9578 7.9578 8.2148 8.2148 14.2784 14.2784 14.5085 14.5085 17.5453 17.5453 17.7244 17.7244 k = 0.5000 0.2887 0.2780 ( 1504 PWs) bands (ev): -5.1199 -5.1199 -5.0922 -5.0922 -3.6899 -3.6899 -3.6725 -3.6725 -3.3780 -3.3780 -3.3513 -3.3513 -3.2354 -3.2354 -3.2270 -3.2270 -3.0818 -3.0818 -3.0666 -3.0666 -1.8584 -1.8584 -1.7761 -1.7761 3.1362 3.1362 3.3145 3.3145 7.7380 7.7380 7.8671 7.8671 7.9945 7.9945 8.2667 8.2667 14.2310 14.2310 14.5707 14.5707 17.5078 17.5078 17.7679 17.7679 k = 0.5000 0.2887 0.2681 ( 1504 PWs) bands (ev): -5.1255 -5.1255 -5.0886 -5.0886 -3.6924 -3.6924 -3.6692 -3.6692 -3.3826 -3.3826 -3.3473 -3.3473 -3.2363 -3.2363 -3.2251 -3.2251 -3.0845 -3.0845 -3.0643 -3.0643 -1.8711 -1.8711 -1.7618 -1.7618 3.1163 3.1163 3.3533 3.3533 7.6960 7.6960 7.7848 7.7848 8.0373 8.0373 8.3118 8.3118 14.1896 14.1896 14.6325 14.6325 17.4761 17.4761 17.8071 17.8071 k = 0.5000 0.2887 0.2581 ( 1500 PWs) bands (ev): -5.1312 -5.1312 -5.0853 -5.0853 -3.6947 -3.6947 -3.6658 -3.6658 -3.3872 -3.3872 -3.3435 -3.3435 -3.2369 -3.2369 -3.2231 -3.2231 -3.0872 -3.0872 -3.0620 -3.0620 -1.8835 -1.8835 -1.7475 -1.7475 3.0995 3.0995 3.3944 3.3944 7.6521 7.6521 7.7014 7.7014 8.0802 8.0802 8.3497 8.3497 14.1549 14.1549 14.6925 14.6925 17.4513 17.4513 17.8399 17.8399 k = 0.5000 0.2887 0.2482 ( 1496 PWs) bands (ev): -5.1371 -5.1371 -5.0823 -5.0823 -3.6969 -3.6969 -3.6623 -3.6623 -3.3917 -3.3917 -3.3398 -3.3398 -3.2373 -3.2373 -3.2210 -3.2210 -3.0898 -3.0898 -3.0600 -3.0600 -1.8955 -1.8955 -1.7332 -1.7332 3.0857 3.0857 3.4377 3.4377 7.5925 7.5925 7.6315 7.6315 8.1229 8.1229 8.3802 8.3802 14.1275 14.1275 14.7498 14.7498 17.4347 17.4347 17.8642 17.8642 k = 0.5000 0.2887 0.2383 ( 1496 PWs) bands (ev): -5.1431 -5.1431 -5.0796 -5.0796 -3.6989 -3.6989 -3.6588 -3.6588 -3.3961 -3.3961 -3.3365 -3.3365 -3.2374 -3.2374 -3.2188 -3.2188 -3.0925 -3.0925 -3.0580 -3.0580 -1.9070 -1.9070 -1.7189 -1.7189 3.0750 3.0750 3.4830 3.4830 7.5067 7.5067 7.5860 7.5860 8.1653 8.1653 8.4030 8.4030 14.1081 14.1081 14.8032 14.8032 17.4268 17.4268 17.8782 17.8782 k = 0.5000 0.2887 0.2284 ( 1496 PWs) bands (ev): -5.1493 -5.1493 -5.0772 -5.0772 -3.7009 -3.7009 -3.6552 -3.6552 -3.4005 -3.4005 -3.3334 -3.3334 -3.2374 -3.2374 -3.2165 -3.2165 -3.0951 -3.0951 -3.0562 -3.0562 -1.9182 -1.9182 -1.7048 -1.7048 3.0673 3.0673 3.5301 3.5301 7.4135 7.4135 7.5467 7.5467 8.2072 8.2072 8.4182 8.4182 14.0970 14.0970 14.8517 14.8517 17.4285 17.4285 17.8807 17.8807 k = 0.5000 0.2887 0.2184 ( 1500 PWs) bands (ev): -5.1556 -5.1556 -5.0751 -5.0751 -3.7027 -3.7027 -3.6516 -3.6516 -3.4048 -3.4048 -3.3306 -3.3306 -3.2371 -3.2371 -3.2142 -3.2142 -3.0977 -3.0977 -3.0545 -3.0545 -1.9289 -1.9289 -1.6909 -1.6909 3.0626 3.0626 3.5789 3.5789 7.3178 7.3178 7.5096 7.5096 8.2485 8.2485 8.4258 8.4258 14.0946 14.0946 14.8947 14.8947 17.4401 17.4401 17.8708 17.8708 k = 0.5000 0.2887 0.2085 ( 1502 PWs) bands (ev): -5.1620 -5.1620 -5.0733 -5.0733 -3.7044 -3.7044 -3.6480 -3.6480 -3.4090 -3.4090 -3.3282 -3.3282 -3.2367 -3.2367 -3.2118 -3.2118 -3.1003 -3.1003 -3.0529 -3.0529 -1.9391 -1.9391 -1.6773 -1.6773 3.0610 3.0610 3.6293 3.6293 7.2205 7.2205 7.4738 7.4738 8.2889 8.2889 8.4261 8.4261 14.1009 14.1009 14.9316 14.9316 17.4618 17.4618 17.8483 17.8483 k = 0.5000 0.2887 0.1986 ( 1502 PWs) bands (ev): -5.1684 -5.1684 -5.0717 -5.0717 -3.7060 -3.7060 -3.6444 -3.6444 -3.4130 -3.4130 -3.3260 -3.3260 -3.2360 -3.2360 -3.2093 -3.2093 -3.1028 -3.1028 -3.0515 -3.0515 -1.9488 -1.9488 -1.6639 -1.6639 3.0624 3.0624 3.6809 3.6809 7.1224 7.1224 7.4393 7.4393 8.3281 8.3281 8.4196 8.4196 14.1161 14.1161 14.9622 14.9622 17.4933 17.4933 17.8135 17.8135 k = 0.5000 0.2887 0.1886 ( 1502 PWs) bands (ev): -5.1747 -5.1747 -5.0704 -5.0704 -3.7075 -3.7075 -3.6409 -3.6409 -3.4168 -3.4168 -3.3241 -3.3241 -3.2351 -3.2351 -3.2067 -3.2067 -3.1052 -3.1052 -3.0502 -3.0502 -1.9581 -1.9581 -1.6509 -1.6509 3.0666 3.0666 3.7336 3.7336 7.0241 7.0241 7.4063 7.4063 8.3644 8.3644 8.4083 8.4083 14.1399 14.1399 14.9865 14.9865 17.5342 17.5342 17.7672 17.7672 k = 0.5000 0.2887 0.1787 ( 1502 PWs) bands (ev): -5.1811 -5.1811 -5.0692 -5.0692 -3.7089 -3.7089 -3.6374 -3.6374 -3.4205 -3.4205 -3.3225 -3.3225 -3.2340 -3.2340 -3.2040 -3.2040 -3.1077 -3.1077 -3.0491 -3.0491 -1.9669 -1.9669 -1.6383 -1.6383 3.0736 3.0736 3.7872 3.7872 6.9259 6.9259 7.3745 7.3745 8.3769 8.3769 8.4135 8.4135 14.1723 14.1723 15.0048 15.0048 17.5836 17.5836 17.7102 17.7102 k = 0.5000 0.2887 0.1688 ( 1502 PWs) bands (ev): -5.1873 -5.1873 -5.0683 -5.0683 -3.7101 -3.7101 -3.6339 -3.6339 -3.4240 -3.4240 -3.3211 -3.3211 -3.2328 -3.2328 -3.2013 -3.2013 -3.1100 -3.1100 -3.0481 -3.0481 -1.9752 -1.9752 -1.6261 -1.6261 3.0833 3.0833 3.8413 3.8413 6.8285 6.8285 7.3442 7.3442 8.3550 8.3550 8.4462 8.4462 14.2128 14.2128 15.0176 15.0176 17.6365 17.6365 17.6479 17.6479 k = 0.5000 0.2887 0.1589 ( 1504 PWs) bands (ev): -5.1934 -5.1934 -5.0676 -5.0676 -3.7113 -3.7113 -3.6306 -3.6306 -3.4274 -3.4274 -3.3201 -3.3201 -3.2315 -3.2315 -3.1985 -3.1985 -3.1123 -3.1123 -3.0473 -3.0473 -1.9829 -1.9829 -1.6144 -1.6144 3.0954 3.0954 3.8958 3.8958 6.7321 6.7321 7.3153 7.3153 8.3249 8.3249 8.4808 8.4808 14.2612 14.2612 15.0254 15.0254 17.5679 17.5679 17.7049 17.7049 k = 0.5000 0.2887 0.1489 ( 1508 PWs) bands (ev): -5.1994 -5.1994 -5.0671 -5.0671 -3.7124 -3.7124 -3.6273 -3.6273 -3.4305 -3.4305 -3.3192 -3.3192 -3.2301 -3.2301 -3.1957 -3.1957 -3.1145 -3.1145 -3.0466 -3.0466 -1.9903 -1.9903 -1.6033 -1.6033 3.1099 3.1099 3.9502 3.9502 6.6373 6.6373 7.2879 7.2879 8.2899 8.2899 8.5145 8.5145 14.3171 14.3171 15.0289 15.0289 17.4854 17.4854 17.7737 17.7737 k = 0.5000 0.2887 0.1390 ( 1508 PWs) bands (ev): -5.2052 -5.2052 -5.0667 -5.0667 -3.7134 -3.7134 -3.6242 -3.6242 -3.4334 -3.4334 -3.3185 -3.3185 -3.2287 -3.2287 -3.1928 -3.1928 -3.1167 -3.1167 -3.0460 -3.0460 -1.9971 -1.9971 -1.5927 -1.5927 3.1264 3.1264 4.0043 4.0043 6.5445 6.5445 7.2620 7.2620 8.2513 8.2513 8.5468 8.5468 14.3799 14.3799 15.0290 15.0290 17.3964 17.3964 17.8464 17.8464 k = 0.5000 0.2887 0.1291 ( 1512 PWs) bands (ev): -5.2107 -5.2107 -5.0665 -5.0665 -3.7143 -3.7143 -3.6213 -3.6213 -3.4362 -3.4362 -3.3181 -3.3181 -3.2273 -3.2273 -3.1898 -3.1898 -3.1188 -3.1188 -3.0456 -3.0456 -2.0034 -2.0034 -1.5828 -1.5828 3.1448 3.1448 4.0578 4.0578 6.4544 6.4544 7.2377 7.2377 8.2099 8.2099 8.5776 8.5776 14.4491 14.4491 15.0261 15.0261 17.3019 17.3019 17.9216 17.9216 k = 0.5000 0.2887 0.1191 ( 1512 PWs) bands (ev): -5.2160 -5.2160 -5.0663 -5.0663 -3.7151 -3.7151 -3.6185 -3.6185 -3.4386 -3.4386 -3.3177 -3.3177 -3.2259 -3.2259 -3.1869 -3.1869 -3.1209 -3.1209 -3.0452 -3.0452 -2.0092 -2.0092 -1.5735 -1.5735 3.1647 3.1647 4.1101 4.1101 6.3673 6.3673 7.2150 7.2150 8.1667 8.1667 8.6066 8.6066 14.5243 14.5243 15.0211 15.0211 17.2028 17.2028 17.9980 17.9980 k = 0.5000 0.2887 0.1092 ( 1510 PWs) bands (ev): -5.2210 -5.2210 -5.0661 -5.0661 -3.7159 -3.7159 -3.6159 -3.6159 -3.4409 -3.4409 -3.3175 -3.3175 -3.2246 -3.2246 -3.1839 -3.1839 -3.1229 -3.1229 -3.0449 -3.0449 -2.0146 -2.0146 -1.5648 -1.5648 3.1857 3.1857 4.1609 4.1609 6.2839 6.2839 7.1941 7.1941 8.1225 8.1225 8.6338 8.6338 14.6048 14.6048 15.0146 15.0146 17.0999 17.0999 18.0744 18.0744 k = 0.5000 0.2887 0.0993 ( 1512 PWs) bands (ev): -5.2256 -5.2256 -5.0662 -5.0662 -3.7165 -3.7165 -3.6135 -3.6135 -3.4429 -3.4429 -3.3173 -3.3173 -3.2233 -3.2233 -3.1810 -3.1810 -3.1248 -3.1248 -3.0448 -3.0448 -2.0194 -2.0194 -1.5569 -1.5569 3.2075 3.2075 4.2097 4.2097 6.2046 6.2046 7.1749 7.1749 8.0782 8.0782 8.6590 8.6590 14.6901 14.6901 15.0070 15.0070 16.9938 16.9938 18.1493 18.1493 k = 0.5000 0.2887 0.0894 ( 1512 PWs) bands (ev): -5.2300 -5.2300 -5.0662 -5.0662 -3.7171 -3.7171 -3.6112 -3.6112 -3.4448 -3.4448 -3.3173 -3.3173 -3.2221 -3.2221 -3.1781 -3.1781 -3.1268 -3.1268 -3.0447 -3.0447 -2.0238 -2.0238 -1.5496 -1.5496 3.2295 3.2295 4.2561 4.2561 6.1301 6.1301 7.1573 7.1573 8.0348 8.0348 8.6821 8.6821 14.7795 14.7795 14.9990 14.9990 16.8853 16.8853 18.2216 18.2216 k = 0.5000 0.2887 0.0794 ( 1512 PWs) bands (ev): -5.2339 -5.2339 -5.0663 -5.0663 -3.7177 -3.7177 -3.6092 -3.6092 -3.4464 -3.4464 -3.3173 -3.3173 -3.2210 -3.2210 -3.1753 -3.1753 -3.1286 -3.1286 -3.0446 -3.0446 -2.0277 -2.0277 -1.5431 -1.5431 3.2514 3.2514 4.2996 4.2996 6.0610 6.0610 7.1415 7.1415 7.9929 7.9929 8.7031 8.7031 14.8722 14.8722 14.9912 14.9912 16.7751 16.7751 18.2902 18.2902 k = 0.5000 0.2887 0.0695 ( 1516 PWs) bands (ev): -5.2374 -5.2374 -5.0664 -5.0664 -3.7182 -3.7182 -3.6075 -3.6075 -3.4478 -3.4478 -3.3174 -3.3174 -3.2201 -3.2201 -3.1726 -3.1726 -3.1304 -3.1304 -3.0447 -3.0447 -2.0311 -2.0311 -1.5374 -1.5374 3.2726 3.2726 4.3396 4.3396 5.9980 5.9980 7.1275 7.1275 7.9536 7.9536 8.7217 8.7217 14.9630 14.9630 14.9885 14.9885 16.6639 16.6639 18.3539 18.3539 k = 0.5000 0.2887 0.0596 ( 1516 PWs) bands (ev): -5.2405 -5.2405 -5.0666 -5.0666 -3.7186 -3.7186 -3.6059 -3.6059 -3.4490 -3.4490 -3.3174 -3.3174 -3.2192 -3.2192 -3.1700 -3.1700 -3.1322 -3.1322 -3.0447 -3.0447 -2.0341 -2.0341 -1.5323 -1.5323 3.2925 3.2925 4.3756 4.3756 5.9416 5.9416 7.1153 7.1153 7.9176 7.9176 8.7381 8.7381 14.9734 14.9734 15.0687 15.0687 16.5527 16.5527 18.4116 18.4116 k = 0.5000 0.2887 0.0496 ( 1514 PWs) bands (ev): -5.2431 -5.2431 -5.0666 -5.0666 -3.7189 -3.7189 -3.6045 -3.6045 -3.4500 -3.4500 -3.3175 -3.3175 -3.2185 -3.2185 -3.1676 -3.1676 -3.1338 -3.1338 -3.0448 -3.0448 -2.0366 -2.0366 -1.5281 -1.5281 3.3106 3.3106 4.4071 4.4071 5.8925 5.8925 7.1050 7.1050 7.8856 7.8856 8.7520 8.7520 14.9674 14.9674 15.1669 15.1669 16.4427 16.4427 18.4624 18.4624 k = 0.5000 0.2887 0.0397 ( 1510 PWs) bands (ev): -5.2453 -5.2453 -5.0668 -5.0668 -3.7192 -3.7192 -3.6035 -3.6035 -3.4508 -3.4508 -3.3175 -3.3175 -3.2179 -3.2179 -3.1653 -3.1653 -3.1353 -3.1353 -3.0448 -3.0448 -2.0387 -2.0387 -1.5246 -1.5246 3.3263 3.3263 4.4336 4.4336 5.8513 5.8513 7.0965 7.0965 7.8584 7.8584 8.7636 8.7636 14.9618 14.9618 15.2648 15.2648 16.3356 16.3356 18.5054 18.5054 k = 0.5000 0.2887 0.0298 ( 1500 PWs) bands (ev): -5.2470 -5.2470 -5.0668 -5.0668 -3.7193 -3.7193 -3.6025 -3.6025 -3.4513 -3.4513 -3.3176 -3.3176 -3.2174 -3.2174 -3.1634 -3.1634 -3.1365 -3.1365 -3.0449 -3.0449 -2.0402 -2.0402 -1.5218 -1.5218 3.3392 3.3392 4.4548 4.4548 5.8186 5.8186 7.0899 7.0899 7.8367 7.8367 8.7726 8.7726 14.9573 14.9573 15.3589 15.3589 16.2345 16.2345 18.5400 18.5400 k = 0.5000 0.2887 0.0199 ( 1500 PWs) bands (ev): -5.2482 -5.2482 -5.0669 -5.0669 -3.7195 -3.7195 -3.6019 -3.6019 -3.4517 -3.4517 -3.3176 -3.3176 -3.2170 -3.2170 -3.1619 -3.1619 -3.1376 -3.1376 -3.0449 -3.0449 -2.0414 -2.0414 -1.5199 -1.5199 3.3488 3.3488 4.4702 4.4702 5.7948 5.7948 7.0851 7.0851 7.8207 7.8207 8.7791 8.7791 14.9539 14.9539 15.4435 15.4435 16.1449 16.1449 18.5650 18.5650 k = 0.5000 0.2887 0.0099 ( 1500 PWs) bands (ev): -5.2489 -5.2489 -5.0670 -5.0670 -3.7196 -3.7196 -3.6016 -3.6016 -3.4520 -3.4520 -3.3176 -3.3176 -3.2168 -3.2168 -3.1610 -3.1610 -3.1383 -3.1383 -3.0450 -3.0450 -2.0420 -2.0420 -1.5187 -1.5187 3.3546 3.3546 4.4795 4.4795 5.7804 5.7804 7.0823 7.0823 7.8110 7.8110 8.7830 8.7830 14.9519 14.9519 15.5072 15.5072 16.0781 16.0781 18.5802 18.5802 k = 0.5000 0.2887-0.0000 ( 1504 PWs) bands (ev): -5.2492 -5.2492 -5.0670 -5.0670 -3.7196 -3.7196 -3.6015 -3.6015 -3.4521 -3.4521 -3.3177 -3.3177 -3.2168 -3.2168 -3.1606 -3.1606 -3.1386 -3.1386 -3.0450 -3.0450 -2.0423 -2.0423 -1.5183 -1.5183 3.3566 3.3566 4.4826 4.4826 5.7756 5.7756 7.0813 7.0813 7.8076 7.8076 8.7843 8.7843 14.9512 14.9512 15.5321 15.5321 16.0521 16.0521 18.5852 18.5852 k = 0.3333 0.5774-0.0000 ( 1470 PWs) bands (ev): -5.1404 -5.1404 -5.1099 -5.0332 -3.7069 -3.7069 -3.5791 -3.5760 -3.5760 -3.4355 -3.2764 -3.2764 -3.2379 -3.2379 -3.1614 -3.1325 -3.1325 -3.1298 -3.0866 -3.0866 -1.5521 -1.5521 -1.4941 -1.4153 4.4554 4.4591 4.4612 4.4612 4.5167 4.5167 6.9652 6.9977 6.9977 7.0314 7.0338 7.0338 15.2814 15.2814 17.7594 17.7616 17.7706 17.7706 18.3954 18.3954 k = 0.3333 0.5774 0.0099 ( 1470 PWs) bands (ev): -5.1403 -5.1403 -5.1097 -5.0331 -3.7068 -3.7068 -3.5790 -3.5760 -3.5760 -3.4356 -3.2769 -3.2769 -3.2376 -3.2376 -3.1615 -3.1325 -3.1325 -3.1298 -3.0866 -3.0866 -1.5520 -1.5520 -1.4940 -1.4153 4.4524 4.4561 4.4583 4.4583 4.5178 4.5178 6.9697 6.9994 6.9994 7.0343 7.0343 7.0359 15.2848 15.2848 17.7567 17.7590 17.7680 17.7680 18.3947 18.3947 k = 0.3333 0.5774 0.0199 ( 1479 PWs) bands (ev): -5.1400 -5.1400 -5.1093 -5.0329 -3.7067 -3.7067 -3.5790 -3.5761 -3.5761 -3.4360 -3.2783 -3.2783 -3.2367 -3.2367 -3.1615 -3.1325 -3.1325 -3.1301 -3.0867 -3.0867 -1.5520 -1.5520 -1.4938 -1.4153 4.4434 4.4473 4.4496 4.4496 4.5214 4.5214 6.9834 7.0005 7.0005 7.0395 7.0395 7.0491 15.2947 15.2947 17.7485 17.7509 17.7599 17.7599 18.3925 18.3925 k = 0.3333 0.5774 0.0298 ( 1479 PWs) bands (ev): -5.1394 -5.1394 -5.1085 -5.0325 -3.7064 -3.7064 -3.5788 -3.5762 -3.5762 -3.4366 -3.2805 -3.2805 -3.2353 -3.2353 -3.1616 -3.1326 -3.1326 -3.1304 -3.0868 -3.0868 -1.5518 -1.5518 -1.4933 -1.4153 4.4287 4.4328 4.4353 4.4353 4.5275 4.5275 6.9946 6.9946 7.0059 7.0563 7.0563 7.0710 15.3115 15.3115 17.7350 17.7374 17.7466 17.7466 18.3889 18.3889 k = 0.3333 0.5774 0.0397 ( 1479 PWs) bands (ev): -5.1386 -5.1386 -5.1074 -5.0320 -3.7058 -3.7058 -3.5785 -3.5764 -3.5764 -3.4373 -3.2832 -3.2832 -3.2336 -3.2336 -3.1617 -3.1326 -3.1326 -3.1309 -3.0868 -3.0868 -1.5516 -1.5516 -1.4927 -1.4154 4.4087 4.4132 4.4158 4.4158 4.5361 4.5361 6.9813 6.9813 7.0367 7.0842 7.0842 7.1011 15.3350 15.3350 17.7159 17.7185 17.7278 17.7278 18.3837 18.3837 k = 0.3333 0.5774 0.0496 ( 1482 PWs) bands (ev): -5.1375 -5.1375 -5.1060 -5.0314 -3.7052 -3.7052 -3.5782 -3.5766 -3.5766 -3.4383 -3.2864 -3.2864 -3.2318 -3.2318 -3.1618 -3.1326 -3.1326 -3.1316 -3.0870 -3.0870 -1.5514 -1.5514 -1.4918 -1.4154 4.3840 4.3889 4.3915 4.3915 4.5472 4.5472 6.9624 6.9624 7.0754 7.1211 7.1211 7.1388 15.3648 15.3648 17.6912 17.6939 17.7035 17.7035 18.3769 18.3769 k = 0.3333 0.5774 0.0596 ( 1482 PWs) bands (ev): -5.1363 -5.1363 -5.1043 -5.0306 -3.7044 -3.7044 -3.5777 -3.5769 -3.5769 -3.4396 -3.2899 -3.2899 -3.2299 -3.2299 -3.1619 -3.1326 -3.1326 -3.1323 -3.0871 -3.0871 -1.5511 -1.5511 -1.4909 -1.4155 4.3551 4.3604 4.3631 4.3631 4.5607 4.5607 6.9389 6.9389 7.1210 7.1654 7.1654 7.1833 15.4010 15.4010 17.6608 17.6636 17.6735 17.6735 18.3686 18.3686 k = 0.3333 0.5774 0.0695 ( 1494 PWs) bands (ev): -5.1349 -5.1349 -5.1024 -5.0298 -3.7036 -3.7036 -3.5773 -3.5772 -3.5772 -3.4410 -3.2936 -3.2936 -3.2283 -3.2283 -3.1621 -3.1333 -3.1326 -3.1326 -3.0872 -3.0872 -1.5508 -1.5508 -1.4897 -1.4156 4.3227 4.3283 4.3311 4.3311 4.5768 4.5768 6.9110 6.9110 7.1730 7.2161 7.2161 7.2340 15.4431 15.4431 17.6247 17.6274 17.6378 17.6378 18.3586 18.3586 k = 0.3333 0.5774 0.0794 ( 1494 PWs) bands (ev): -5.1332 -5.1332 -5.1002 -5.0288 -3.7025 -3.7025 -3.5776 -3.5776 -3.5767 -3.4427 -3.2974 -3.2974 -3.2267 -3.2267 -3.1623 -3.1343 -3.1325 -3.1325 -3.0873 -3.0873 -1.5504 -1.5504 -1.4884 -1.4157 4.2874 4.2934 4.2962 4.2962 4.5953 4.5953 6.8793 6.8793 7.2306 7.2725 7.2725 7.2902 15.4911 15.4911 17.5828 17.5855 17.5964 17.5964 18.3469 18.3469 k = 0.3333 0.5774 0.0894 ( 1488 PWs) bands (ev): -5.1314 -5.1314 -5.0976 -5.0277 -3.7013 -3.7013 -3.5779 -3.5779 -3.5759 -3.4445 -3.3013 -3.3013 -3.2253 -3.2253 -3.1624 -3.1354 -3.1323 -3.1323 -3.0874 -3.0874 -1.5500 -1.5500 -1.4869 -1.4159 4.2499 4.2563 4.2591 4.2591 4.6162 4.6162 6.8439 6.8439 7.2930 7.3337 7.3337 7.3511 15.5446 15.5446 17.5355 17.5379 17.5495 17.5495 18.3335 18.3335 k = 0.3333 0.5774 0.0993 ( 1488 PWs) bands (ev): -5.1294 -5.1294 -5.0949 -5.0266 -3.7000 -3.7000 -3.5784 -3.5784 -3.5751 -3.4466 -3.3052 -3.3052 -3.2242 -3.2242 -3.1626 -3.1366 -3.1320 -3.1320 -3.0875 -3.0875 -1.5495 -1.5495 -1.4853 -1.4161 4.2107 4.2174 4.2203 4.2203 4.6395 4.6395 6.8050 6.8050 7.3593 7.3989 7.3989 7.4158 15.6034 15.6034 17.4826 17.4847 17.4971 17.4971 18.3182 18.3182 k = 0.3333 0.5774 0.1092 ( 1482 PWs) bands (ev): -5.1273 -5.1273 -5.0920 -5.0254 -3.6986 -3.6986 -3.5788 -3.5788 -3.5741 -3.4488 -3.3091 -3.3091 -3.2233 -3.2233 -3.1628 -3.1377 -3.1317 -3.1317 -3.0875 -3.0875 -1.5490 -1.5490 -1.4835 -1.4163 4.1706 4.1775 4.1804 4.1804 4.6651 4.6651 6.7629 6.7629 7.4289 7.4673 7.4673 7.4837 15.6670 15.6670 17.4247 17.4263 17.4396 17.4396 18.3009 18.3009 k = 0.3333 0.5774 0.1191 ( 1482 PWs) bands (ev): -5.1251 -5.1251 -5.0888 -5.0243 -3.6972 -3.6972 -3.5793 -3.5793 -3.5730 -3.4513 -3.3129 -3.3129 -3.2228 -3.2228 -3.1630 -3.1391 -3.1312 -3.1312 -3.0876 -3.0876 -1.5485 -1.5485 -1.4816 -1.4166 4.1298 4.1369 4.1399 4.1399 4.6930 4.6930 6.7177 6.7177 7.5009 7.5381 7.5381 7.5540 15.7352 15.7352 17.3622 17.3631 17.3773 17.3773 18.2814 18.2814 k = 0.3333 0.5774 0.1291 ( 1482 PWs) bands (ev): -5.1228 -5.1228 -5.0855 -5.0231 -3.6957 -3.6957 -3.5798 -3.5798 -3.5718 -3.4540 -3.3167 -3.3167 -3.2226 -3.2226 -3.1632 -3.1404 -3.1307 -3.1307 -3.0877 -3.0877 -1.5479 -1.5479 -1.4796 -1.4169 4.0890 4.0962 4.0994 4.0994 4.7231 4.7231 6.6699 6.6699 7.5747 7.6106 7.6106 7.6260 15.8076 15.8076 17.2955 17.2957 17.3110 17.3110 18.2598 18.2598 k = 0.3333 0.5774 0.1390 ( 1482 PWs) bands (ev): -5.1205 -5.1205 -5.0821 -5.0219 -3.6941 -3.6941 -3.5804 -3.5804 -3.5705 -3.4569 -3.3204 -3.3204 -3.2227 -3.2227 -3.1634 -3.1419 -3.1301 -3.1301 -3.0877 -3.0877 -1.5474 -1.5474 -1.4775 -1.4173 4.0486 4.0557 4.0591 4.0591 4.7555 4.7555 6.6195 6.6195 7.6496 7.6843 7.6843 7.6990 15.8837 15.8837 17.2249 17.2255 17.2412 17.2412 18.2359 18.2359 k = 0.3333 0.5774 0.1489 ( 1485 PWs) bands (ev): -5.1181 -5.1181 -5.0785 -5.0208 -3.6926 -3.6926 -3.5810 -3.5810 -3.5690 -3.4599 -3.3239 -3.3239 -3.2230 -3.2230 -3.1636 -3.1433 -3.1295 -3.1295 -3.0877 -3.0877 -1.5468 -1.5468 -1.4753 -1.4177 4.0088 4.0160 4.0195 4.0195 4.7901 4.7901 6.5668 6.5668 7.7249 7.7582 7.7582 7.7722 15.9633 15.9633 17.1514 17.1529 17.1688 17.1688 18.2095 18.2095 k = 0.3333 0.5774 0.1589 ( 1476 PWs) bands (ev): -5.1156 -5.1156 -5.0748 -5.0197 -3.6909 -3.6909 -3.5815 -3.5815 -3.5673 -3.4631 -3.3273 -3.3273 -3.2236 -3.2236 -3.1637 -3.1447 -3.1287 -3.1287 -3.0877 -3.0877 -1.5463 -1.5463 -1.4730 -1.4182 3.9702 3.9772 3.9809 3.9809 4.8268 4.8268 6.5121 6.5121 7.8001 7.8320 7.8320 7.8453 16.0459 16.0459 17.0762 17.0785 17.0946 17.0946 18.1805 18.1805 k = 0.3333 0.5774 0.1688 ( 1476 PWs) bands (ev): -5.1132 -5.1132 -5.0710 -5.0188 -3.6893 -3.6893 -3.5821 -3.5821 -3.5655 -3.4665 -3.3306 -3.3306 -3.2244 -3.2244 -3.1639 -3.1462 -3.1280 -3.1280 -3.0876 -3.0876 -1.5457 -1.5457 -1.4706 -1.4188 3.9329 3.9397 3.9437 3.9437 4.8655 4.8655 6.4556 6.4556 7.8743 7.9048 7.9048 7.9173 16.1310 16.1310 17.0001 17.0033 17.0195 17.0195 18.1489 18.1489 k = 0.3333 0.5774 0.1787 ( 1482 PWs) bands (ev): -5.1108 -5.1108 -5.0672 -5.0179 -3.6878 -3.6878 -3.5827 -3.5827 -3.5635 -3.4701 -3.3337 -3.3337 -3.2254 -3.2254 -3.1641 -3.1476 -3.1272 -3.1272 -3.0876 -3.0876 -1.5452 -1.5452 -1.4682 -1.4195 3.8972 3.9038 3.9080 3.9080 4.9063 4.9063 6.3975 6.3975 7.9470 7.9761 7.9761 7.9876 16.2183 16.2183 16.9242 16.9281 16.9445 16.9445 18.1144 18.1144 k = 0.3333 0.5774 0.1886 ( 1482 PWs) bands (ev): -5.1085 -5.1085 -5.0634 -5.0172 -3.6862 -3.6862 -3.5833 -3.5833 -3.5614 -3.4738 -3.3365 -3.3365 -3.2265 -3.2265 -3.1642 -3.1491 -3.1264 -3.1264 -3.0875 -3.0875 -1.5446 -1.5446 -1.4658 -1.4203 3.8634 3.8697 3.8741 3.8741 4.9490 4.9490 6.3381 6.3381 8.0177 8.0453 8.0453 8.0558 16.3073 16.3073 16.8493 16.8538 16.8705 16.8705 18.0769 18.0769 k = 0.3333 0.5774 0.1986 ( 1488 PWs) bands (ev): -5.1063 -5.1063 -5.0596 -5.0167 -3.6847 -3.6847 -3.5839 -3.5839 -3.5591 -3.4776 -3.3393 -3.3393 -3.2278 -3.2278 -3.1643 -3.1505 -3.1257 -3.1257 -3.0875 -3.0875 -1.5441 -1.5441 -1.4633 -1.4211 3.8317 3.8376 3.8423 3.8423 4.9936 4.9936 6.2776 6.2776 8.0856 8.1116 8.1116 8.1212 16.3976 16.3976 16.7764 16.7814 16.7985 16.7985 18.0364 18.0364 k = 0.3333 0.5774 0.2085 ( 1488 PWs) bands (ev): -5.1042 -5.1042 -5.0558 -5.0163 -3.6832 -3.6832 -3.5845 -3.5845 -3.5567 -3.4815 -3.3417 -3.3417 -3.2291 -3.2291 -3.1643 -3.1519 -3.1249 -3.1249 -3.0874 -3.0874 -1.5436 -1.5436 -1.4608 -1.4220 3.8022 3.8077 3.8127 3.8127 5.0401 5.0401 6.2161 6.2161 8.1502 8.1747 8.1747 8.1831 16.4887 16.4887 16.7065 16.7118 16.7295 16.7295 17.9927 17.9927 k = 0.3333 0.5774 0.2184 ( 1485 PWs) bands (ev): -5.1021 -5.1021 -5.0521 -5.0161 -3.6818 -3.6818 -3.5850 -3.5850 -3.5540 -3.4855 -3.3439 -3.3439 -3.2304 -3.2304 -3.1643 -3.1532 -3.1242 -3.1242 -3.0873 -3.0873 -1.5431 -1.5431 -1.4582 -1.4231 3.7751 3.7802 3.7855 3.7855 5.0883 5.0883 6.1539 6.1539 8.2110 8.2339 8.2339 8.2411 16.5788 16.5788 16.6403 16.6458 16.6657 16.6657 17.9457 17.9457 k = 0.3333 0.5774 0.2284 ( 1479 PWs) bands (ev): -5.1002 -5.1002 -5.0484 -5.0161 -3.6805 -3.6805 -3.5855 -3.5855 -3.5511 -3.4896 -3.3459 -3.3459 -3.2316 -3.2316 -3.1643 -3.1544 -3.1235 -3.1235 -3.0871 -3.0871 -1.5427 -1.5427 -1.4557 -1.4242 3.7506 3.7552 3.7608 3.7608 5.1382 5.1382 6.0912 6.0912 8.2675 8.2887 8.2887 8.2947 16.5788 16.5843 16.5983 16.5983 16.6771 16.6771 17.8954 17.8954 k = 0.3333 0.5774 0.2383 ( 1479 PWs) bands (ev): -5.0985 -5.0985 -5.0448 -5.0163 -3.6793 -3.6793 -3.5860 -3.5860 -3.5481 -3.4937 -3.3477 -3.3477 -3.2329 -3.2329 -3.1642 -3.1556 -3.1229 -3.1229 -3.0870 -3.0870 -1.5423 -1.5423 -1.4532 -1.4255 3.7287 3.7328 3.7388 3.7388 5.1896 5.1896 6.0282 6.0282 8.3189 8.3383 8.3383 8.3430 16.5227 16.5279 16.5444 16.5444 16.7667 16.7667 17.8417 17.8417 k = 0.3333 0.5774 0.2482 ( 1479 PWs) bands (ev): -5.0970 -5.0970 -5.0414 -5.0168 -3.6782 -3.6782 -3.5864 -3.5864 -3.5450 -3.4979 -3.3493 -3.3493 -3.2340 -3.2340 -3.1640 -3.1567 -3.1224 -3.1224 -3.0869 -3.0869 -1.5419 -1.5419 -1.4508 -1.4268 3.7096 3.7132 3.7194 3.7194 5.2426 5.2426 5.9650 5.9650 8.3649 8.3825 8.3825 8.3857 16.4725 16.4774 16.4948 16.4948 16.8574 16.8574 17.7845 17.7845 k = 0.3333 0.5774 0.2581 ( 1482 PWs) bands (ev): -5.0957 -5.0957 -5.0382 -5.0175 -3.6773 -3.6773 -3.5868 -3.5868 -3.5417 -3.5022 -3.3506 -3.3506 -3.2350 -3.2350 -3.1639 -3.1578 -3.1219 -3.1219 -3.0868 -3.0868 -1.5416 -1.5416 -1.4483 -1.4283 3.6933 3.6963 3.7029 3.7029 5.2970 5.2970 5.9018 5.9018 8.4049 8.4207 8.4207 8.4225 16.4291 16.4334 16.4515 16.4515 16.9472 16.9472 17.7237 17.7237 k = 0.3333 0.5774 0.2681 ( 1488 PWs) bands (ev): -5.0946 -5.0946 -5.0351 -5.0185 -3.6766 -3.6766 -3.5872 -3.5872 -3.5382 -3.5065 -3.3517 -3.3517 -3.2360 -3.2360 -3.1637 -3.1588 -3.1215 -3.1215 -3.0867 -3.0867 -1.5413 -1.5413 -1.4460 -1.4299 3.6800 3.6824 3.6893 3.6893 5.3526 5.3526 5.8389 5.8389 8.4385 8.4525 8.4525 8.4527 16.3929 16.3965 16.4151 16.4151 17.0356 17.0356 17.6595 17.6595 k = 0.3333 0.5774 0.2780 ( 1488 PWs) bands (ev): -5.0938 -5.0938 -5.0322 -5.0197 -3.6760 -3.6760 -3.5874 -3.5874 -3.5346 -3.5107 -3.3525 -3.3525 -3.2367 -3.2367 -3.1633 -3.1597 -3.1212 -3.1212 -3.0866 -3.0866 -1.5411 -1.5411 -1.4437 -1.4315 3.6696 3.6714 3.6787 3.6787 5.4093 5.4093 5.7765 5.7765 8.4655 8.4762 8.4777 8.4777 16.3643 16.3672 16.3864 16.3864 17.1223 17.1223 17.5921 17.5921 k = 0.3333 0.5774 0.2879 ( 1500 PWs) bands (ev): -5.0932 -5.0932 -5.0296 -5.0212 -3.6757 -3.6757 -3.5876 -3.5876 -3.5310 -3.5149 -3.3532 -3.3532 -3.2373 -3.2373 -3.1630 -3.1606 -3.1211 -3.1211 -3.0866 -3.0866 -1.5410 -1.5410 -1.4414 -1.4333 3.6622 3.6635 3.6711 3.6711 5.4668 5.4668 5.7149 5.7149 8.4854 8.4926 8.4958 8.4958 16.3438 16.3458 16.3656 16.3656 17.2069 17.2069 17.5213 17.5213 k = 0.3333 0.5774 0.2979 ( 1494 PWs) bands (ev): -5.0928 -5.0928 -5.0271 -5.0229 -3.6753 -3.6753 -3.5877 -3.5877 -3.5271 -3.5190 -3.3535 -3.3535 -3.2375 -3.2375 -3.1625 -3.1612 -3.1209 -3.1209 -3.0866 -3.0866 -1.5409 -1.5409 -1.4393 -1.4352 3.6579 3.6586 3.6665 3.6665 5.5236 5.5236 5.6555 5.6555 8.4983 8.5019 8.5068 8.5068 16.3317 16.3327 16.3530 16.3530 17.2887 17.2887 17.4480 17.4480 k = 0.3333 0.5774 0.3078 ( 1494 PWs) bands (ev): -5.0927 -5.0927 -5.0249 -5.0249 -3.6753 -3.6753 -3.5877 -3.5877 -3.5231 -3.5231 -3.3537 -3.3537 -3.2376 -3.2376 -3.1619 -3.1619 -3.1209 -3.1209 -3.0865 -3.0865 -1.5409 -1.5409 -1.4372 -1.4372 3.6567 3.6567 3.6649 3.6649 5.5635 5.5635 5.6148 5.6148 8.5038 8.5038 8.5105 8.5105 16.3279 16.3279 16.3488 16.3488 17.3558 17.3558 17.3838 17.3838 Writing output data file GaN.save init_run : 0.55s CPU 0.32s WALL ( 1 calls) electrons : 198.50s CPU 108.00s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.08s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 198.49s CPU 107.99s WALL ( 1 calls) v_of_rho : 0.04s CPU 0.02s WALL ( 1 calls) v_h : 0.03s CPU 0.01s WALL ( 1 calls) v_xc : 0.01s CPU 0.00s WALL ( 1 calls) newd : 0.12s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.13s CPU 0.15s WALL ( 416 calls) cegterg : 179.54s CPU 96.61s WALL ( 419 calls) Called by sum_band: Called by *egterg: h_psi : 81.22s CPU 45.94s WALL ( 6264 calls) s_psi : 7.06s CPU 3.71s WALL ( 6264 calls) g_psi : 0.16s CPU 0.08s WALL ( 5429 calls) cdiaghg : 90.38s CPU 47.00s WALL ( 5845 calls) cegterg:over : 6.24s CPU 3.27s WALL ( 5429 calls) cegterg:upda : 3.85s CPU 2.03s WALL ( 5429 calls) cegterg:last : 2.62s CPU 1.42s WALL ( 1236 calls) cdiaghg:chol : 4.44s CPU 2.39s WALL ( 5845 calls) cdiaghg:inve : 2.34s CPU 1.23s WALL ( 5845 calls) cdiaghg:para : 5.23s CPU 2.72s WALL ( 11690 calls) Called by h_psi: h_psi:vloc : 68.06s CPU 38.84s WALL ( 6264 calls) h_psi:vnl : 13.03s CPU 7.03s WALL ( 6264 calls) add_vuspsi : 8.16s CPU 4.31s WALL ( 6264 calls) General routines calbec : 4.84s CPU 2.69s WALL ( 6264 calls) fft : 0.11s CPU 0.05s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 63.75s CPU 36.41s WALL ( 642492 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.52s CPU 0.45s WALL ( 832 calls) Parallel routines fft_scatter : 40.92s CPU 22.89s WALL ( 642515 calls) PWSCF : 3m30.49s CPU 2m11.94s WALL This run was terminated on: 4: 2:31 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=