Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:45:14 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./PtO2.save/ file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 28 12 3 982 272 45 Max 29 13 4 987 288 52 Sum 1015 433 139 35375 10091 1753 bravais-lattice index = 14 lattice parameter (alat) = 5.8204 a.u. unit-cell volume = 232.2965 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 22.00 number of Kohn-Sham states= 30 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.820356 celldm(2)= 1.000000 celldm(3)= 1.360390 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 1.360390 ) 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 0.735084 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 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 Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 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 O 6.00 15.99940 O( 1.00) Pt 10.00 195.08400 Pt( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 445 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022472 k( 2) = ( 0.0084746 0.0048928 -0.0000000), wk = 0.0022472 k( 3) = ( 0.0169491 0.0097856 -0.0000000), wk = 0.0022472 k( 4) = ( 0.0254237 0.0146784 -0.0000000), wk = 0.0022472 k( 5) = ( 0.0338983 0.0195712 -0.0000000), wk = 0.0022472 k( 6) = ( 0.0423729 0.0244640 -0.0000000), wk = 0.0022472 k( 7) = ( 0.0508475 0.0293568 -0.0000000), wk = 0.0022472 k( 8) = ( 0.0593220 0.0342496 -0.0000000), wk = 0.0022472 k( 9) = ( 0.0677966 0.0391424 -0.0000000), wk = 0.0022472 k( 10) = ( 0.0762712 0.0440352 -0.0000000), wk = 0.0022472 k( 11) = ( 0.0847458 0.0489280 -0.0000000), wk = 0.0022472 k( 12) = ( 0.0932203 0.0538208 -0.0000000), wk = 0.0022472 k( 13) = ( 0.1016949 0.0587136 -0.0000000), wk = 0.0022472 k( 14) = ( 0.1101695 0.0636064 -0.0000000), wk = 0.0022472 k( 15) = ( 0.1186441 0.0684992 -0.0000000), wk = 0.0022472 k( 16) = ( 0.1271186 0.0733920 -0.0000000), wk = 0.0022472 k( 17) = ( 0.1355932 0.0782848 -0.0000000), wk = 0.0022472 k( 18) = ( 0.1440678 0.0831776 -0.0000000), wk = 0.0022472 k( 19) = ( 0.1525424 0.0880704 -0.0000000), wk = 0.0022472 k( 20) = ( 0.1610169 0.0929632 -0.0000000), wk = 0.0022472 k( 21) = ( 0.1694915 0.0978560 -0.0000000), wk = 0.0022472 k( 22) = ( 0.1779661 0.1027488 -0.0000000), wk = 0.0022472 k( 23) = ( 0.1864407 0.1076416 -0.0000000), wk = 0.0022472 k( 24) = ( 0.1949153 0.1125344 -0.0000000), wk = 0.0022472 k( 25) = ( 0.2033898 0.1174272 -0.0000000), wk = 0.0022472 k( 26) = ( 0.2118644 0.1223200 -0.0000000), wk = 0.0022472 k( 27) = ( 0.2203390 0.1272128 -0.0000000), wk = 0.0022472 k( 28) = ( 0.2288136 0.1321056 -0.0000000), wk = 0.0022472 k( 29) = ( 0.2372881 0.1369984 -0.0000000), wk = 0.0022472 k( 30) = ( 0.2457627 0.1418912 -0.0000000), wk = 0.0022472 k( 31) = ( 0.2542373 0.1467840 -0.0000000), wk = 0.0022472 k( 32) = ( 0.2627119 0.1516768 -0.0000000), wk = 0.0022472 k( 33) = ( 0.2711864 0.1565696 -0.0000000), wk = 0.0022472 k( 34) = ( 0.2796610 0.1614624 -0.0000000), wk = 0.0022472 k( 35) = ( 0.2881356 0.1663552 -0.0000000), wk = 0.0022472 k( 36) = ( 0.2966102 0.1712480 -0.0000000), wk = 0.0022472 k( 37) = ( 0.3050848 0.1761408 -0.0000000), wk = 0.0022472 k( 38) = ( 0.3135593 0.1810336 -0.0000000), wk = 0.0022472 k( 39) = ( 0.3220339 0.1859264 -0.0000000), wk = 0.0022472 k( 40) = ( 0.3305085 0.1908192 -0.0000000), wk = 0.0022472 k( 41) = ( 0.3389831 0.1957120 -0.0000000), wk = 0.0022472 k( 42) = ( 0.3474576 0.2006048 -0.0000000), wk = 0.0022472 k( 43) = ( 0.3559322 0.2054976 -0.0000000), wk = 0.0022472 k( 44) = ( 0.3644068 0.2103904 -0.0000000), wk = 0.0022472 k( 45) = ( 0.3728814 0.2152832 -0.0000000), wk = 0.0022472 k( 46) = ( 0.3813559 0.2201759 -0.0000000), wk = 0.0022472 k( 47) = ( 0.3898305 0.2250687 -0.0000000), wk = 0.0022472 k( 48) = ( 0.3983051 0.2299615 -0.0000000), wk = 0.0022472 k( 49) = ( 0.4067797 0.2348543 -0.0000000), wk = 0.0022472 k( 50) = ( 0.4152542 0.2397471 -0.0000000), wk = 0.0022472 k( 51) = ( 0.4237288 0.2446399 -0.0000000), wk = 0.0022472 k( 52) = ( 0.4322034 0.2495327 -0.0000000), wk = 0.0022472 k( 53) = ( 0.4406780 0.2544255 -0.0000000), wk = 0.0022472 k( 54) = ( 0.4491525 0.2593183 -0.0000000), wk = 0.0022472 k( 55) = ( 0.4576271 0.2642111 -0.0000000), wk = 0.0022472 k( 56) = ( 0.4661017 0.2691039 -0.0000000), wk = 0.0022472 k( 57) = ( 0.4745763 0.2739967 -0.0000000), wk = 0.0022472 k( 58) = ( 0.4830508 0.2788895 -0.0000000), wk = 0.0022472 k( 59) = ( 0.4915254 0.2837823 -0.0000000), wk = 0.0022472 k( 60) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0022472 k( 61) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0022472 k( 62) = ( 0.4950980 0.2971656 -0.0000000), wk = 0.0022472 k( 63) = ( 0.4901961 0.3056560 -0.0000000), wk = 0.0022472 k( 64) = ( 0.4852941 0.3141465 -0.0000000), wk = 0.0022472 k( 65) = ( 0.4803922 0.3226369 -0.0000000), wk = 0.0022472 k( 66) = ( 0.4754902 0.3311274 -0.0000000), wk = 0.0022472 k( 67) = ( 0.4705882 0.3396178 -0.0000000), wk = 0.0022472 k( 68) = ( 0.4656863 0.3481082 -0.0000000), wk = 0.0022472 k( 69) = ( 0.4607843 0.3565987 -0.0000000), wk = 0.0022472 k( 70) = ( 0.4558823 0.3650891 -0.0000000), wk = 0.0022472 k( 71) = ( 0.4509804 0.3735796 -0.0000000), wk = 0.0022472 k( 72) = ( 0.4460784 0.3820700 -0.0000000), wk = 0.0022472 k( 73) = ( 0.4411765 0.3905605 -0.0000000), wk = 0.0022472 k( 74) = ( 0.4362745 0.3990509 -0.0000000), wk = 0.0022472 k( 75) = ( 0.4313726 0.4075414 -0.0000000), wk = 0.0022472 k( 76) = ( 0.4264706 0.4160318 -0.0000000), wk = 0.0022472 k( 77) = ( 0.4215686 0.4245223 -0.0000000), wk = 0.0022472 k( 78) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0022472 k( 79) = ( 0.4117647 0.4415032 -0.0000000), wk = 0.0022472 k( 80) = ( 0.4068627 0.4499936 -0.0000000), wk = 0.0022472 k( 81) = ( 0.4019608 0.4584840 -0.0000000), wk = 0.0022472 k( 82) = ( 0.3970588 0.4669745 -0.0000000), wk = 0.0022472 k( 83) = ( 0.3921569 0.4754649 -0.0000000), wk = 0.0022472 k( 84) = ( 0.3872549 0.4839554 -0.0000000), wk = 0.0022472 k( 85) = ( 0.3823529 0.4924458 -0.0000000), wk = 0.0022472 k( 86) = ( 0.3774510 0.5009363 -0.0000000), wk = 0.0022472 k( 87) = ( 0.3725490 0.5094267 -0.0000000), wk = 0.0022472 k( 88) = ( 0.3676471 0.5179172 -0.0000000), wk = 0.0022472 k( 89) = ( 0.3627451 0.5264076 -0.0000000), wk = 0.0022472 k( 90) = ( 0.3578431 0.5348981 -0.0000000), wk = 0.0022472 k( 91) = ( 0.3529412 0.5433885 -0.0000000), wk = 0.0022472 k( 92) = ( 0.3480392 0.5518789 -0.0000000), wk = 0.0022472 k( 93) = ( 0.3431373 0.5603694 -0.0000000), wk = 0.0022472 k( 94) = ( 0.3382353 0.5688598 -0.0000000), wk = 0.0022472 k( 95) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0022472 k( 96) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0022472 k( 97) = ( 0.3284314 0.5688598 -0.0000000), wk = 0.0022472 k( 98) = ( 0.3235294 0.5603694 -0.0000000), wk = 0.0022472 k( 99) = ( 0.3186274 0.5518789 -0.0000000), wk = 0.0022472 k( 100) = ( 0.3137255 0.5433885 -0.0000000), wk = 0.0022472 k( 101) = ( 0.3088235 0.5348980 -0.0000000), wk = 0.0022472 k( 102) = ( 0.3039216 0.5264076 -0.0000000), wk = 0.0022472 k( 103) = ( 0.2990196 0.5179172 -0.0000000), wk = 0.0022472 k( 104) = ( 0.2941177 0.5094267 -0.0000000), wk = 0.0022472 k( 105) = ( 0.2892157 0.5009363 -0.0000000), wk = 0.0022472 k( 106) = ( 0.2843137 0.4924458 -0.0000000), wk = 0.0022472 k( 107) = ( 0.2794118 0.4839554 -0.0000000), wk = 0.0022472 k( 108) = ( 0.2745098 0.4754649 -0.0000000), wk = 0.0022472 k( 109) = ( 0.2696078 0.4669745 -0.0000000), wk = 0.0022472 k( 110) = ( 0.2647059 0.4584840 -0.0000000), wk = 0.0022472 k( 111) = ( 0.2598039 0.4499936 -0.0000000), wk = 0.0022472 k( 112) = ( 0.2549020 0.4415031 -0.0000000), wk = 0.0022472 k( 113) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0022472 k( 114) = ( 0.2450980 0.4245223 -0.0000000), wk = 0.0022472 k( 115) = ( 0.2401961 0.4160318 -0.0000000), wk = 0.0022472 k( 116) = ( 0.2352941 0.4075414 -0.0000000), wk = 0.0022472 k( 117) = ( 0.2303922 0.3990509 -0.0000000), wk = 0.0022472 k( 118) = ( 0.2254902 0.3905605 -0.0000000), wk = 0.0022472 k( 119) = ( 0.2205882 0.3820700 -0.0000000), wk = 0.0022472 k( 120) = ( 0.2156863 0.3735796 -0.0000000), wk = 0.0022472 k( 121) = ( 0.2107843 0.3650891 -0.0000000), wk = 0.0022472 k( 122) = ( 0.2058823 0.3565987 -0.0000000), wk = 0.0022472 k( 123) = ( 0.2009804 0.3481082 -0.0000000), wk = 0.0022472 k( 124) = ( 0.1960784 0.3396178 -0.0000000), wk = 0.0022472 k( 125) = ( 0.1911765 0.3311274 -0.0000000), wk = 0.0022472 k( 126) = ( 0.1862745 0.3226369 -0.0000000), wk = 0.0022472 k( 127) = ( 0.1813725 0.3141465 -0.0000000), wk = 0.0022472 k( 128) = ( 0.1764706 0.3056560 -0.0000000), wk = 0.0022472 k( 129) = ( 0.1715686 0.2971656 -0.0000000), wk = 0.0022472 k( 130) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0022472 k( 131) = ( 0.1617647 0.2801847 -0.0000000), wk = 0.0022472 k( 132) = ( 0.1568627 0.2716943 -0.0000000), wk = 0.0022472 k( 133) = ( 0.1519608 0.2632038 -0.0000000), wk = 0.0022472 k( 134) = ( 0.1470588 0.2547133 -0.0000000), wk = 0.0022472 k( 135) = ( 0.1421569 0.2462229 -0.0000000), wk = 0.0022472 k( 136) = ( 0.1372549 0.2377325 -0.0000000), wk = 0.0022472 k( 137) = ( 0.1323529 0.2292420 -0.0000000), wk = 0.0022472 k( 138) = ( 0.1274510 0.2207516 -0.0000000), wk = 0.0022472 k( 139) = ( 0.1225490 0.2122611 -0.0000000), wk = 0.0022472 k( 140) = ( 0.1176471 0.2037707 -0.0000000), wk = 0.0022472 k( 141) = ( 0.1127451 0.1952802 -0.0000000), wk = 0.0022472 k( 142) = ( 0.1078431 0.1867898 -0.0000000), wk = 0.0022472 k( 143) = ( 0.1029412 0.1782994 -0.0000000), wk = 0.0022472 k( 144) = ( 0.0980392 0.1698089 -0.0000000), wk = 0.0022472 k( 145) = ( 0.0931373 0.1613184 -0.0000000), wk = 0.0022472 k( 146) = ( 0.0882353 0.1528280 -0.0000000), wk = 0.0022472 k( 147) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0022472 k( 148) = ( 0.0784314 0.1358471 -0.0000000), wk = 0.0022472 k( 149) = ( 0.0735294 0.1273567 -0.0000000), wk = 0.0022472 k( 150) = ( 0.0686275 0.1188662 -0.0000000), wk = 0.0022472 k( 151) = ( 0.0637255 0.1103758 -0.0000000), wk = 0.0022472 k( 152) = ( 0.0588235 0.1018853 -0.0000000), wk = 0.0022472 k( 153) = ( 0.0539216 0.0933949 -0.0000000), wk = 0.0022472 k( 154) = ( 0.0490196 0.0849045 -0.0000000), wk = 0.0022472 k( 155) = ( 0.0441177 0.0764140 -0.0000000), wk = 0.0022472 k( 156) = ( 0.0392157 0.0679236 -0.0000000), wk = 0.0022472 k( 157) = ( 0.0343137 0.0594331 -0.0000000), wk = 0.0022472 k( 158) = ( 0.0294118 0.0509427 -0.0000000), wk = 0.0022472 k( 159) = ( 0.0245098 0.0424522 -0.0000000), wk = 0.0022472 k( 160) = ( 0.0196078 0.0339618 -0.0000000), wk = 0.0022472 k( 161) = ( 0.0147059 0.0254713 -0.0000000), wk = 0.0022472 k( 162) = ( 0.0098039 0.0169809 -0.0000000), wk = 0.0022472 k( 163) = ( 0.0049020 0.0084904 -0.0000000), wk = 0.0022472 k( 164) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022472 k( 165) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022472 k( 166) = ( 0.0000000 0.0000000 0.0096721), wk = 0.0022472 k( 167) = ( 0.0000000 0.0000000 0.0193443), wk = 0.0022472 k( 168) = ( 0.0000000 0.0000000 0.0290165), wk = 0.0022472 k( 169) = ( 0.0000000 0.0000000 0.0386886), wk = 0.0022472 k( 170) = ( 0.0000000 0.0000000 0.0483608), wk = 0.0022472 k( 171) = ( 0.0000000 0.0000000 0.0580329), wk = 0.0022472 k( 172) = ( 0.0000000 0.0000000 0.0677051), wk = 0.0022472 k( 173) = ( 0.0000000 0.0000000 0.0773772), wk = 0.0022472 k( 174) = ( 0.0000000 0.0000000 0.0870494), wk = 0.0022472 k( 175) = ( 0.0000000 0.0000000 0.0967215), wk = 0.0022472 k( 176) = ( 0.0000000 0.0000000 0.1063937), wk = 0.0022472 k( 177) = ( 0.0000000 0.0000000 0.1160658), wk = 0.0022472 k( 178) = ( 0.0000000 0.0000000 0.1257380), wk = 0.0022472 k( 179) = ( 0.0000000 0.0000000 0.1354101), wk = 0.0022472 k( 180) = ( 0.0000000 0.0000000 0.1450823), wk = 0.0022472 k( 181) = ( 0.0000000 0.0000000 0.1547544), wk = 0.0022472 k( 182) = ( 0.0000000 0.0000000 0.1644266), wk = 0.0022472 k( 183) = ( 0.0000000 0.0000000 0.1740987), wk = 0.0022472 k( 184) = ( 0.0000000 0.0000000 0.1837709), wk = 0.0022472 k( 185) = ( 0.0000000 0.0000000 0.1934430), wk = 0.0022472 k( 186) = ( 0.0000000 0.0000000 0.2031152), wk = 0.0022472 k( 187) = ( 0.0000000 0.0000000 0.2127873), wk = 0.0022472 k( 188) = ( 0.0000000 0.0000000 0.2224595), wk = 0.0022472 k( 189) = ( 0.0000000 0.0000000 0.2321316), wk = 0.0022472 k( 190) = ( 0.0000000 0.0000000 0.2418038), wk = 0.0022472 k( 191) = ( 0.0000000 0.0000000 0.2514759), wk = 0.0022472 k( 192) = ( 0.0000000 0.0000000 0.2611481), wk = 0.0022472 k( 193) = ( 0.0000000 0.0000000 0.2708202), wk = 0.0022472 k( 194) = ( 0.0000000 0.0000000 0.2804924), wk = 0.0022472 k( 195) = ( 0.0000000 0.0000000 0.2901646), wk = 0.0022472 k( 196) = ( 0.0000000 0.0000000 0.2998367), wk = 0.0022472 k( 197) = ( 0.0000000 0.0000000 0.3095089), wk = 0.0022472 k( 198) = ( 0.0000000 0.0000000 0.3191810), wk = 0.0022472 k( 199) = ( 0.0000000 0.0000000 0.3288532), wk = 0.0022472 k( 200) = ( 0.0000000 0.0000000 0.3385253), wk = 0.0022472 k( 201) = ( 0.0000000 0.0000000 0.3481975), wk = 0.0022472 k( 202) = ( 0.0000000 0.0000000 0.3578696), wk = 0.0022472 k( 203) = ( 0.0000000 0.0000000 0.3675418), wk = 0.0022472 k( 204) = ( 0.0000000 0.0000000 0.3675418), wk = 0.0022472 k( 205) = ( 0.0084746 0.0048928 0.3675418), wk = 0.0022472 k( 206) = ( 0.0169491 0.0097856 0.3675418), wk = 0.0022472 k( 207) = ( 0.0254237 0.0146784 0.3675418), wk = 0.0022472 k( 208) = ( 0.0338983 0.0195712 0.3675418), wk = 0.0022472 k( 209) = ( 0.0423729 0.0244640 0.3675418), wk = 0.0022472 k( 210) = ( 0.0508475 0.0293568 0.3675418), wk = 0.0022472 k( 211) = ( 0.0593220 0.0342496 0.3675418), wk = 0.0022472 k( 212) = ( 0.0677966 0.0391424 0.3675418), wk = 0.0022472 k( 213) = ( 0.0762712 0.0440352 0.3675418), wk = 0.0022472 k( 214) = ( 0.0847458 0.0489280 0.3675418), wk = 0.0022472 k( 215) = ( 0.0932203 0.0538208 0.3675418), wk = 0.0022472 k( 216) = ( 0.1016949 0.0587136 0.3675418), wk = 0.0022472 k( 217) = ( 0.1101695 0.0636064 0.3675418), wk = 0.0022472 k( 218) = ( 0.1186441 0.0684992 0.3675418), wk = 0.0022472 k( 219) = ( 0.1271186 0.0733920 0.3675418), wk = 0.0022472 k( 220) = ( 0.1355932 0.0782848 0.3675418), wk = 0.0022472 k( 221) = ( 0.1440678 0.0831776 0.3675418), wk = 0.0022472 k( 222) = ( 0.1525424 0.0880704 0.3675418), wk = 0.0022472 k( 223) = ( 0.1610169 0.0929632 0.3675418), wk = 0.0022472 k( 224) = ( 0.1694915 0.0978560 0.3675418), wk = 0.0022472 k( 225) = ( 0.1779661 0.1027488 0.3675418), wk = 0.0022472 k( 226) = ( 0.1864407 0.1076416 0.3675418), wk = 0.0022472 k( 227) = ( 0.1949153 0.1125344 0.3675418), wk = 0.0022472 k( 228) = ( 0.2033898 0.1174272 0.3675418), wk = 0.0022472 k( 229) = ( 0.2118644 0.1223200 0.3675418), wk = 0.0022472 k( 230) = ( 0.2203390 0.1272128 0.3675418), wk = 0.0022472 k( 231) = ( 0.2288136 0.1321056 0.3675418), wk = 0.0022472 k( 232) = ( 0.2372881 0.1369984 0.3675418), wk = 0.0022472 k( 233) = ( 0.2457627 0.1418912 0.3675418), wk = 0.0022472 k( 234) = ( 0.2542373 0.1467840 0.3675418), wk = 0.0022472 k( 235) = ( 0.2627119 0.1516768 0.3675418), wk = 0.0022472 k( 236) = ( 0.2711864 0.1565696 0.3675418), wk = 0.0022472 k( 237) = ( 0.2796610 0.1614624 0.3675418), wk = 0.0022472 k( 238) = ( 0.2881356 0.1663552 0.3675418), wk = 0.0022472 k( 239) = ( 0.2966102 0.1712480 0.3675418), wk = 0.0022472 k( 240) = ( 0.3050848 0.1761408 0.3675418), wk = 0.0022472 k( 241) = ( 0.3135593 0.1810336 0.3675418), wk = 0.0022472 k( 242) = ( 0.3220339 0.1859264 0.3675418), wk = 0.0022472 k( 243) = ( 0.3305085 0.1908192 0.3675418), wk = 0.0022472 k( 244) = ( 0.3389831 0.1957120 0.3675418), wk = 0.0022472 k( 245) = ( 0.3474576 0.2006048 0.3675418), wk = 0.0022472 k( 246) = ( 0.3559322 0.2054976 0.3675418), wk = 0.0022472 k( 247) = ( 0.3644068 0.2103904 0.3675418), wk = 0.0022472 k( 248) = ( 0.3728814 0.2152832 0.3675418), wk = 0.0022472 k( 249) = ( 0.3813559 0.2201759 0.3675418), wk = 0.0022472 k( 250) = ( 0.3898305 0.2250687 0.3675418), wk = 0.0022472 k( 251) = ( 0.3983051 0.2299615 0.3675418), wk = 0.0022472 k( 252) = ( 0.4067797 0.2348543 0.3675418), wk = 0.0022472 k( 253) = ( 0.4152542 0.2397471 0.3675418), wk = 0.0022472 k( 254) = ( 0.4237288 0.2446399 0.3675418), wk = 0.0022472 k( 255) = ( 0.4322034 0.2495327 0.3675418), wk = 0.0022472 k( 256) = ( 0.4406780 0.2544255 0.3675418), wk = 0.0022472 k( 257) = ( 0.4491525 0.2593183 0.3675418), wk = 0.0022472 k( 258) = ( 0.4576271 0.2642111 0.3675418), wk = 0.0022472 k( 259) = ( 0.4661017 0.2691039 0.3675418), wk = 0.0022472 k( 260) = ( 0.4745763 0.2739967 0.3675418), wk = 0.0022472 k( 261) = ( 0.4830508 0.2788895 0.3675418), wk = 0.0022472 k( 262) = ( 0.4915254 0.2837823 0.3675418), wk = 0.0022472 k( 263) = ( 0.5000000 0.2886751 0.3675418), wk = 0.0022472 k( 264) = ( 0.5000000 0.2886751 0.3675418), wk = 0.0022472 k( 265) = ( 0.4950980 0.2971656 0.3675418), wk = 0.0022472 k( 266) = ( 0.4901961 0.3056560 0.3675418), wk = 0.0022472 k( 267) = ( 0.4852941 0.3141465 0.3675418), wk = 0.0022472 k( 268) = ( 0.4803922 0.3226369 0.3675418), wk = 0.0022472 k( 269) = ( 0.4754902 0.3311274 0.3675418), wk = 0.0022472 k( 270) = ( 0.4705882 0.3396178 0.3675418), wk = 0.0022472 k( 271) = ( 0.4656863 0.3481082 0.3675418), wk = 0.0022472 k( 272) = ( 0.4607843 0.3565987 0.3675418), wk = 0.0022472 k( 273) = ( 0.4558823 0.3650891 0.3675418), wk = 0.0022472 k( 274) = ( 0.4509804 0.3735796 0.3675418), wk = 0.0022472 k( 275) = ( 0.4460784 0.3820700 0.3675418), wk = 0.0022472 k( 276) = ( 0.4411765 0.3905605 0.3675418), wk = 0.0022472 k( 277) = ( 0.4362745 0.3990509 0.3675418), wk = 0.0022472 k( 278) = ( 0.4313726 0.4075414 0.3675418), wk = 0.0022472 k( 279) = ( 0.4264706 0.4160318 0.3675418), wk = 0.0022472 k( 280) = ( 0.4215686 0.4245223 0.3675418), wk = 0.0022472 k( 281) = ( 0.4166667 0.4330127 0.3675418), wk = 0.0022472 k( 282) = ( 0.4117647 0.4415032 0.3675418), wk = 0.0022472 k( 283) = ( 0.4068627 0.4499936 0.3675418), wk = 0.0022472 k( 284) = ( 0.4019608 0.4584840 0.3675418), wk = 0.0022472 k( 285) = ( 0.3970588 0.4669745 0.3675418), wk = 0.0022472 k( 286) = ( 0.3921569 0.4754649 0.3675418), wk = 0.0022472 k( 287) = ( 0.3872549 0.4839554 0.3675418), wk = 0.0022472 k( 288) = ( 0.3823529 0.4924458 0.3675418), wk = 0.0022472 k( 289) = ( 0.3774510 0.5009363 0.3675418), wk = 0.0022472 k( 290) = ( 0.3725490 0.5094267 0.3675418), wk = 0.0022472 k( 291) = ( 0.3676471 0.5179172 0.3675418), wk = 0.0022472 k( 292) = ( 0.3627451 0.5264076 0.3675418), wk = 0.0022472 k( 293) = ( 0.3578431 0.5348981 0.3675418), wk = 0.0022472 k( 294) = ( 0.3529412 0.5433885 0.3675418), wk = 0.0022472 k( 295) = ( 0.3480392 0.5518789 0.3675418), wk = 0.0022472 k( 296) = ( 0.3431373 0.5603694 0.3675418), wk = 0.0022472 k( 297) = ( 0.3382353 0.5688598 0.3675418), wk = 0.0022472 k( 298) = ( 0.3333333 0.5773503 0.3675418), wk = 0.0022472 k( 299) = ( 0.3333333 0.5773503 0.3675418), wk = 0.0022472 k( 300) = ( 0.3284314 0.5688598 0.3675418), wk = 0.0022472 k( 301) = ( 0.3235294 0.5603694 0.3675418), wk = 0.0022472 k( 302) = ( 0.3186274 0.5518789 0.3675418), wk = 0.0022472 k( 303) = ( 0.3137255 0.5433885 0.3675418), wk = 0.0022472 k( 304) = ( 0.3088235 0.5348980 0.3675418), wk = 0.0022472 k( 305) = ( 0.3039216 0.5264076 0.3675418), wk = 0.0022472 k( 306) = ( 0.2990196 0.5179172 0.3675418), wk = 0.0022472 k( 307) = ( 0.2941177 0.5094267 0.3675418), wk = 0.0022472 k( 308) = ( 0.2892157 0.5009363 0.3675418), wk = 0.0022472 k( 309) = ( 0.2843137 0.4924458 0.3675418), wk = 0.0022472 k( 310) = ( 0.2794118 0.4839554 0.3675418), wk = 0.0022472 k( 311) = ( 0.2745098 0.4754649 0.3675418), wk = 0.0022472 k( 312) = ( 0.2696078 0.4669745 0.3675418), wk = 0.0022472 k( 313) = ( 0.2647059 0.4584840 0.3675418), wk = 0.0022472 k( 314) = ( 0.2598039 0.4499936 0.3675418), wk = 0.0022472 k( 315) = ( 0.2549020 0.4415031 0.3675418), wk = 0.0022472 k( 316) = ( 0.2500000 0.4330127 0.3675418), wk = 0.0022472 k( 317) = ( 0.2450980 0.4245223 0.3675418), wk = 0.0022472 k( 318) = ( 0.2401961 0.4160318 0.3675418), wk = 0.0022472 k( 319) = ( 0.2352941 0.4075414 0.3675418), wk = 0.0022472 k( 320) = ( 0.2303922 0.3990509 0.3675418), wk = 0.0022472 k( 321) = ( 0.2254902 0.3905605 0.3675418), wk = 0.0022472 k( 322) = ( 0.2205882 0.3820700 0.3675418), wk = 0.0022472 k( 323) = ( 0.2156863 0.3735796 0.3675418), wk = 0.0022472 k( 324) = ( 0.2107843 0.3650891 0.3675418), wk = 0.0022472 k( 325) = ( 0.2058823 0.3565987 0.3675418), wk = 0.0022472 k( 326) = ( 0.2009804 0.3481082 0.3675418), wk = 0.0022472 k( 327) = ( 0.1960784 0.3396178 0.3675418), wk = 0.0022472 k( 328) = ( 0.1911765 0.3311274 0.3675418), wk = 0.0022472 k( 329) = ( 0.1862745 0.3226369 0.3675418), wk = 0.0022472 k( 330) = ( 0.1813725 0.3141465 0.3675418), wk = 0.0022472 k( 331) = ( 0.1764706 0.3056560 0.3675418), wk = 0.0022472 k( 332) = ( 0.1715686 0.2971656 0.3675418), wk = 0.0022472 k( 333) = ( 0.1666667 0.2886751 0.3675418), wk = 0.0022472 k( 334) = ( 0.1617647 0.2801847 0.3675418), wk = 0.0022472 k( 335) = ( 0.1568627 0.2716943 0.3675418), wk = 0.0022472 k( 336) = ( 0.1519608 0.2632038 0.3675418), wk = 0.0022472 k( 337) = ( 0.1470588 0.2547133 0.3675418), wk = 0.0022472 k( 338) = ( 0.1421569 0.2462229 0.3675418), wk = 0.0022472 k( 339) = ( 0.1372549 0.2377325 0.3675418), wk = 0.0022472 k( 340) = ( 0.1323529 0.2292420 0.3675418), wk = 0.0022472 k( 341) = ( 0.1274510 0.2207516 0.3675418), wk = 0.0022472 k( 342) = ( 0.1225490 0.2122611 0.3675418), wk = 0.0022472 k( 343) = ( 0.1176471 0.2037707 0.3675418), wk = 0.0022472 k( 344) = ( 0.1127451 0.1952802 0.3675418), wk = 0.0022472 k( 345) = ( 0.1078431 0.1867898 0.3675418), wk = 0.0022472 k( 346) = ( 0.1029412 0.1782994 0.3675418), wk = 0.0022472 k( 347) = ( 0.0980392 0.1698089 0.3675418), wk = 0.0022472 k( 348) = ( 0.0931373 0.1613184 0.3675418), wk = 0.0022472 k( 349) = ( 0.0882353 0.1528280 0.3675418), wk = 0.0022472 k( 350) = ( 0.0833333 0.1443376 0.3675418), wk = 0.0022472 k( 351) = ( 0.0784314 0.1358471 0.3675418), wk = 0.0022472 k( 352) = ( 0.0735294 0.1273567 0.3675418), wk = 0.0022472 k( 353) = ( 0.0686275 0.1188662 0.3675418), wk = 0.0022472 k( 354) = ( 0.0637255 0.1103758 0.3675418), wk = 0.0022472 k( 355) = ( 0.0588235 0.1018853 0.3675418), wk = 0.0022472 k( 356) = ( 0.0539216 0.0933949 0.3675418), wk = 0.0022472 k( 357) = ( 0.0490196 0.0849045 0.3675418), wk = 0.0022472 k( 358) = ( 0.0441177 0.0764140 0.3675418), wk = 0.0022472 k( 359) = ( 0.0392157 0.0679236 0.3675418), wk = 0.0022472 k( 360) = ( 0.0343137 0.0594331 0.3675418), wk = 0.0022472 k( 361) = ( 0.0294118 0.0509427 0.3675418), wk = 0.0022472 k( 362) = ( 0.0245098 0.0424522 0.3675418), wk = 0.0022472 k( 363) = ( 0.0196078 0.0339618 0.3675418), wk = 0.0022472 k( 364) = ( 0.0147059 0.0254713 0.3675418), wk = 0.0022472 k( 365) = ( 0.0098039 0.0169809 0.3675418), wk = 0.0022472 k( 366) = ( 0.0049020 0.0084904 0.3675418), wk = 0.0022472 k( 367) = ( 0.0000000 0.0000000 0.3675418), wk = 0.0022472 k( 368) = ( 0.5000000 0.2886751 0.3675418), wk = 0.0022472 k( 369) = ( 0.5000000 0.2886751 0.3578696), wk = 0.0022472 k( 370) = ( 0.5000000 0.2886751 0.3481975), wk = 0.0022472 k( 371) = ( 0.5000000 0.2886751 0.3385253), wk = 0.0022472 k( 372) = ( 0.5000000 0.2886751 0.3288532), wk = 0.0022472 k( 373) = ( 0.5000000 0.2886751 0.3191810), wk = 0.0022472 k( 374) = ( 0.5000000 0.2886751 0.3095089), wk = 0.0022472 k( 375) = ( 0.5000000 0.2886751 0.2998367), wk = 0.0022472 k( 376) = ( 0.5000000 0.2886751 0.2901646), wk = 0.0022472 k( 377) = ( 0.5000000 0.2886751 0.2804924), wk = 0.0022472 k( 378) = ( 0.5000000 0.2886751 0.2708202), wk = 0.0022472 k( 379) = ( 0.5000000 0.2886751 0.2611481), wk = 0.0022472 k( 380) = ( 0.5000000 0.2886751 0.2514759), wk = 0.0022472 k( 381) = ( 0.5000000 0.2886751 0.2418038), wk = 0.0022472 k( 382) = ( 0.5000000 0.2886751 0.2321316), wk = 0.0022472 k( 383) = ( 0.5000000 0.2886751 0.2224595), wk = 0.0022472 k( 384) = ( 0.5000000 0.2886751 0.2127873), wk = 0.0022472 k( 385) = ( 0.5000000 0.2886751 0.2031152), wk = 0.0022472 k( 386) = ( 0.5000000 0.2886751 0.1934430), wk = 0.0022472 k( 387) = ( 0.5000000 0.2886751 0.1837709), wk = 0.0022472 k( 388) = ( 0.5000000 0.2886751 0.1740987), wk = 0.0022472 k( 389) = ( 0.5000000 0.2886751 0.1644266), wk = 0.0022472 k( 390) = ( 0.5000000 0.2886751 0.1547544), wk = 0.0022472 k( 391) = ( 0.5000000 0.2886751 0.1450823), wk = 0.0022472 k( 392) = ( 0.5000000 0.2886751 0.1354101), wk = 0.0022472 k( 393) = ( 0.5000000 0.2886751 0.1257380), wk = 0.0022472 k( 394) = ( 0.5000000 0.2886751 0.1160658), wk = 0.0022472 k( 395) = ( 0.5000000 0.2886751 0.1063937), wk = 0.0022472 k( 396) = ( 0.5000000 0.2886751 0.0967215), wk = 0.0022472 k( 397) = ( 0.5000000 0.2886751 0.0870494), wk = 0.0022472 k( 398) = ( 0.5000000 0.2886751 0.0773772), wk = 0.0022472 k( 399) = ( 0.5000000 0.2886751 0.0677051), wk = 0.0022472 k( 400) = ( 0.5000000 0.2886751 0.0580329), wk = 0.0022472 k( 401) = ( 0.5000000 0.2886751 0.0483608), wk = 0.0022472 k( 402) = ( 0.5000000 0.2886751 0.0386886), wk = 0.0022472 k( 403) = ( 0.5000000 0.2886751 0.0290165), wk = 0.0022472 k( 404) = ( 0.5000000 0.2886751 0.0193443), wk = 0.0022472 k( 405) = ( 0.5000000 0.2886751 0.0096721), wk = 0.0022472 k( 406) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0022472 k( 407) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0022472 k( 408) = ( 0.3333333 0.5773503 0.0096721), wk = 0.0022472 k( 409) = ( 0.3333333 0.5773503 0.0193443), wk = 0.0022472 k( 410) = ( 0.3333333 0.5773503 0.0290165), wk = 0.0022472 k( 411) = ( 0.3333333 0.5773503 0.0386886), wk = 0.0022472 k( 412) = ( 0.3333333 0.5773503 0.0483608), wk = 0.0022472 k( 413) = ( 0.3333333 0.5773503 0.0580329), wk = 0.0022472 k( 414) = ( 0.3333333 0.5773503 0.0677051), wk = 0.0022472 k( 415) = ( 0.3333333 0.5773503 0.0773772), wk = 0.0022472 k( 416) = ( 0.3333333 0.5773503 0.0870494), wk = 0.0022472 k( 417) = ( 0.3333333 0.5773503 0.0967215), wk = 0.0022472 k( 418) = ( 0.3333333 0.5773503 0.1063937), wk = 0.0022472 k( 419) = ( 0.3333333 0.5773503 0.1160658), wk = 0.0022472 k( 420) = ( 0.3333333 0.5773503 0.1257380), wk = 0.0022472 k( 421) = ( 0.3333333 0.5773503 0.1354101), wk = 0.0022472 k( 422) = ( 0.3333333 0.5773503 0.1450823), wk = 0.0022472 k( 423) = ( 0.3333333 0.5773503 0.1547544), wk = 0.0022472 k( 424) = ( 0.3333333 0.5773503 0.1644266), wk = 0.0022472 k( 425) = ( 0.3333333 0.5773503 0.1740987), wk = 0.0022472 k( 426) = ( 0.3333333 0.5773503 0.1837709), wk = 0.0022472 k( 427) = ( 0.3333333 0.5773503 0.1934430), wk = 0.0022472 k( 428) = ( 0.3333333 0.5773503 0.2031152), wk = 0.0022472 k( 429) = ( 0.3333333 0.5773503 0.2127873), wk = 0.0022472 k( 430) = ( 0.3333333 0.5773503 0.2224595), wk = 0.0022472 k( 431) = ( 0.3333333 0.5773503 0.2321316), wk = 0.0022472 k( 432) = ( 0.3333333 0.5773503 0.2418038), wk = 0.0022472 k( 433) = ( 0.3333333 0.5773503 0.2514759), wk = 0.0022472 k( 434) = ( 0.3333333 0.5773503 0.2611481), wk = 0.0022472 k( 435) = ( 0.3333333 0.5773503 0.2708202), wk = 0.0022472 k( 436) = ( 0.3333333 0.5773503 0.2804924), wk = 0.0022472 k( 437) = ( 0.3333333 0.5773503 0.2901646), wk = 0.0022472 k( 438) = ( 0.3333333 0.5773503 0.2998367), wk = 0.0022472 k( 439) = ( 0.3333333 0.5773503 0.3095089), wk = 0.0022472 k( 440) = ( 0.3333333 0.5773503 0.3191810), wk = 0.0022472 k( 441) = ( 0.3333333 0.5773503 0.3288532), wk = 0.0022472 k( 442) = ( 0.3333333 0.5773503 0.3385253), wk = 0.0022472 k( 443) = ( 0.3333333 0.5773503 0.3481975), wk = 0.0022472 k( 444) = ( 0.3333333 0.5773503 0.3578696), wk = 0.0022472 k( 445) = ( 0.3333333 0.5773503 0.3675418), wk = 0.0022472 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022472 k( 2) = ( 0.0084746 0.0000000 0.0000000), wk = 0.0022472 k( 3) = ( 0.0169491 0.0000000 0.0000000), wk = 0.0022472 k( 4) = ( 0.0254237 0.0000000 -0.0000000), wk = 0.0022472 k( 5) = ( 0.0338983 0.0000000 -0.0000000), wk = 0.0022472 k( 6) = ( 0.0423729 0.0000000 -0.0000000), wk = 0.0022472 k( 7) = ( 0.0508475 0.0000000 -0.0000000), wk = 0.0022472 k( 8) = ( 0.0593220 0.0000000 0.0000000), wk = 0.0022472 k( 9) = ( 0.0677966 0.0000000 0.0000000), wk = 0.0022472 k( 10) = ( 0.0762712 0.0000000 0.0000000), wk = 0.0022472 k( 11) = ( 0.0847458 0.0000000 -0.0000000), wk = 0.0022472 k( 12) = ( 0.0932203 0.0000000 -0.0000000), wk = 0.0022472 k( 13) = ( 0.1016949 0.0000000 -0.0000000), wk = 0.0022472 k( 14) = ( 0.1101695 0.0000000 -0.0000000), wk = 0.0022472 k( 15) = ( 0.1186441 0.0000000 -0.0000000), wk = 0.0022472 k( 16) = ( 0.1271186 -0.0000000 0.0000000), wk = 0.0022472 k( 17) = ( 0.1355932 0.0000000 0.0000000), wk = 0.0022472 k( 18) = ( 0.1440678 0.0000000 0.0000000), wk = 0.0022472 k( 19) = ( 0.1525424 0.0000000 0.0000000), wk = 0.0022472 k( 20) = ( 0.1610169 0.0000000 -0.0000000), wk = 0.0022472 k( 21) = ( 0.1694915 0.0000000 0.0000000), wk = 0.0022472 k( 22) = ( 0.1779661 0.0000000 0.0000000), wk = 0.0022472 k( 23) = ( 0.1864407 0.0000000 -0.0000000), wk = 0.0022472 k( 24) = ( 0.1949153 0.0000000 -0.0000000), wk = 0.0022472 k( 25) = ( 0.2033898 0.0000000 -0.0000000), wk = 0.0022472 k( 26) = ( 0.2118644 0.0000000 0.0000000), wk = 0.0022472 k( 27) = ( 0.2203390 0.0000000 -0.0000000), wk = 0.0022472 k( 28) = ( 0.2288136 0.0000000 -0.0000000), wk = 0.0022472 k( 29) = ( 0.2372881 0.0000000 -0.0000000), wk = 0.0022472 k( 30) = ( 0.2457627 0.0000000 -0.0000000), wk = 0.0022472 k( 31) = ( 0.2542373 0.0000000 -0.0000000), wk = 0.0022472 k( 32) = ( 0.2627119 -0.0000000 -0.0000000), wk = 0.0022472 k( 33) = ( 0.2711864 0.0000000 0.0000000), wk = 0.0022472 k( 34) = ( 0.2796610 -0.0000000 -0.0000000), wk = 0.0022472 k( 35) = ( 0.2881356 0.0000000 0.0000000), wk = 0.0022472 k( 36) = ( 0.2966102 -0.0000000 0.0000000), wk = 0.0022472 k( 37) = ( 0.3050848 0.0000000 0.0000000), wk = 0.0022472 k( 38) = ( 0.3135593 0.0000000 0.0000000), wk = 0.0022472 k( 39) = ( 0.3220339 0.0000000 -0.0000000), wk = 0.0022472 k( 40) = ( 0.3305085 0.0000000 -0.0000000), wk = 0.0022472 k( 41) = ( 0.3389831 0.0000000 -0.0000000), wk = 0.0022472 k( 42) = ( 0.3474576 0.0000000 0.0000000), wk = 0.0022472 k( 43) = ( 0.3559322 0.0000000 0.0000000), wk = 0.0022472 k( 44) = ( 0.3644068 0.0000000 -0.0000000), wk = 0.0022472 k( 45) = ( 0.3728814 0.0000000 -0.0000000), wk = 0.0022472 k( 46) = ( 0.3813559 0.0000000 -0.0000000), wk = 0.0022472 k( 47) = ( 0.3898305 -0.0000000 0.0000000), wk = 0.0022472 k( 48) = ( 0.3983051 -0.0000000 0.0000000), wk = 0.0022472 k( 49) = ( 0.4067797 0.0000000 -0.0000000), wk = 0.0022472 k( 50) = ( 0.4152542 0.0000000 0.0000000), wk = 0.0022472 k( 51) = ( 0.4237288 0.0000000 -0.0000000), wk = 0.0022472 k( 52) = ( 0.4322034 0.0000000 0.0000000), wk = 0.0022472 k( 53) = ( 0.4406780 0.0000000 -0.0000000), wk = 0.0022472 k( 54) = ( 0.4491525 0.0000000 0.0000000), wk = 0.0022472 k( 55) = ( 0.4576271 0.0000000 -0.0000000), wk = 0.0022472 k( 56) = ( 0.4661017 0.0000000 -0.0000000), wk = 0.0022472 k( 57) = ( 0.4745763 0.0000000 -0.0000000), wk = 0.0022472 k( 58) = ( 0.4830508 0.0000000 0.0000000), wk = 0.0022472 k( 59) = ( 0.4915254 0.0000000 -0.0000000), wk = 0.0022472 k( 60) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0022472 k( 61) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0022472 k( 62) = ( 0.4950980 0.0098039 -0.0000000), wk = 0.0022472 k( 63) = ( 0.4901961 0.0196078 -0.0000000), wk = 0.0022472 k( 64) = ( 0.4852941 0.0294118 0.0000000), wk = 0.0022472 k( 65) = ( 0.4803922 0.0392157 0.0000000), wk = 0.0022472 k( 66) = ( 0.4754902 0.0490196 -0.0000000), wk = 0.0022472 k( 67) = ( 0.4705882 0.0588235 -0.0000000), wk = 0.0022472 k( 68) = ( 0.4656863 0.0686275 -0.0000000), wk = 0.0022472 k( 69) = ( 0.4607843 0.0784314 0.0000000), wk = 0.0022472 k( 70) = ( 0.4558823 0.0882353 0.0000000), wk = 0.0022472 k( 71) = ( 0.4509804 0.0980392 -0.0000000), wk = 0.0022472 k( 72) = ( 0.4460784 0.1078431 0.0000000), wk = 0.0022472 k( 73) = ( 0.4411765 0.1176471 0.0000000), wk = 0.0022472 k( 74) = ( 0.4362745 0.1274510 -0.0000000), wk = 0.0022472 k( 75) = ( 0.4313726 0.1372549 -0.0000000), wk = 0.0022472 k( 76) = ( 0.4264706 0.1470588 -0.0000000), wk = 0.0022472 k( 77) = ( 0.4215686 0.1568627 -0.0000000), wk = 0.0022472 k( 78) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0022472 k( 79) = ( 0.4117647 0.1764706 0.0000000), wk = 0.0022472 k( 80) = ( 0.4068627 0.1862745 0.0000000), wk = 0.0022472 k( 81) = ( 0.4019608 0.1960784 -0.0000000), wk = 0.0022472 k( 82) = ( 0.3970588 0.2058823 -0.0000000), wk = 0.0022472 k( 83) = ( 0.3921569 0.2156863 0.0000000), wk = 0.0022472 k( 84) = ( 0.3872549 0.2254902 -0.0000000), wk = 0.0022472 k( 85) = ( 0.3823529 0.2352941 0.0000000), wk = 0.0022472 k( 86) = ( 0.3774510 0.2450980 -0.0000000), wk = 0.0022472 k( 87) = ( 0.3725490 0.2549020 -0.0000000), wk = 0.0022472 k( 88) = ( 0.3676471 0.2647059 -0.0000000), wk = 0.0022472 k( 89) = ( 0.3627451 0.2745098 0.0000000), wk = 0.0022472 k( 90) = ( 0.3578431 0.2843137 -0.0000000), wk = 0.0022472 k( 91) = ( 0.3529412 0.2941177 -0.0000000), wk = 0.0022472 k( 92) = ( 0.3480392 0.3039216 0.0000000), wk = 0.0022472 k( 93) = ( 0.3431373 0.3137255 -0.0000000), wk = 0.0022472 k( 94) = ( 0.3382353 0.3235294 -0.0000000), wk = 0.0022472 k( 95) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0022472 k( 96) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0022472 k( 97) = ( 0.3284314 0.3284314 -0.0000000), wk = 0.0022472 k( 98) = ( 0.3235294 0.3235294 -0.0000000), wk = 0.0022472 k( 99) = ( 0.3186274 0.3186275 0.0000000), wk = 0.0022472 k( 100) = ( 0.3137255 0.3137255 -0.0000000), wk = 0.0022472 k( 101) = ( 0.3088235 0.3088235 -0.0000000), wk = 0.0022472 k( 102) = ( 0.3039216 0.3039216 -0.0000000), wk = 0.0022472 k( 103) = ( 0.2990196 0.2990196 0.0000000), wk = 0.0022472 k( 104) = ( 0.2941177 0.2941177 -0.0000000), wk = 0.0022472 k( 105) = ( 0.2892157 0.2892157 -0.0000000), wk = 0.0022472 k( 106) = ( 0.2843137 0.2843137 -0.0000000), wk = 0.0022472 k( 107) = ( 0.2794118 0.2794118 0.0000000), wk = 0.0022472 k( 108) = ( 0.2745098 0.2745098 -0.0000000), wk = 0.0022472 k( 109) = ( 0.2696078 0.2696078 -0.0000000), wk = 0.0022472 k( 110) = ( 0.2647059 0.2647059 -0.0000000), wk = 0.0022472 k( 111) = ( 0.2598039 0.2598039 -0.0000000), wk = 0.0022472 k( 112) = ( 0.2549020 0.2549020 -0.0000000), wk = 0.0022472 k( 113) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0022472 k( 114) = ( 0.2450980 0.2450980 -0.0000000), wk = 0.0022472 k( 115) = ( 0.2401961 0.2401961 -0.0000000), wk = 0.0022472 k( 116) = ( 0.2352941 0.2352941 -0.0000000), wk = 0.0022472 k( 117) = ( 0.2303922 0.2303922 0.0000000), wk = 0.0022472 k( 118) = ( 0.2254902 0.2254902 -0.0000000), wk = 0.0022472 k( 119) = ( 0.2205882 0.2205882 -0.0000000), wk = 0.0022472 k( 120) = ( 0.2156863 0.2156863 0.0000000), wk = 0.0022472 k( 121) = ( 0.2107843 0.2107843 0.0000000), wk = 0.0022472 k( 122) = ( 0.2058823 0.2058823 -0.0000000), wk = 0.0022472 k( 123) = ( 0.2009804 0.2009804 -0.0000000), wk = 0.0022472 k( 124) = ( 0.1960784 0.1960784 -0.0000000), wk = 0.0022472 k( 125) = ( 0.1911765 0.1911765 0.0000000), wk = 0.0022472 k( 126) = ( 0.1862745 0.1862745 -0.0000000), wk = 0.0022472 k( 127) = ( 0.1813725 0.1813725 -0.0000000), wk = 0.0022472 k( 128) = ( 0.1764706 0.1764706 -0.0000000), wk = 0.0022472 k( 129) = ( 0.1715686 0.1715686 -0.0000000), wk = 0.0022472 k( 130) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0022472 k( 131) = ( 0.1617647 0.1617647 -0.0000000), wk = 0.0022472 k( 132) = ( 0.1568627 0.1568628 0.0000000), wk = 0.0022472 k( 133) = ( 0.1519608 0.1519608 0.0000000), wk = 0.0022472 k( 134) = ( 0.1470588 0.1470588 -0.0000000), wk = 0.0022472 k( 135) = ( 0.1421569 0.1421569 -0.0000000), wk = 0.0022472 k( 136) = ( 0.1372549 0.1372549 -0.0000000), wk = 0.0022472 k( 137) = ( 0.1323529 0.1323529 -0.0000000), wk = 0.0022472 k( 138) = ( 0.1274510 0.1274510 -0.0000000), wk = 0.0022472 k( 139) = ( 0.1225490 0.1225490 -0.0000000), wk = 0.0022472 k( 140) = ( 0.1176471 0.1176471 -0.0000000), wk = 0.0022472 k( 141) = ( 0.1127451 0.1127451 -0.0000000), wk = 0.0022472 k( 142) = ( 0.1078431 0.1078431 -0.0000000), wk = 0.0022472 k( 143) = ( 0.1029412 0.1029412 -0.0000000), wk = 0.0022472 k( 144) = ( 0.0980392 0.0980392 -0.0000000), wk = 0.0022472 k( 145) = ( 0.0931373 0.0931372 -0.0000000), wk = 0.0022472 k( 146) = ( 0.0882353 0.0882353 0.0000000), wk = 0.0022472 k( 147) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0022472 k( 148) = ( 0.0784314 0.0784314 -0.0000000), wk = 0.0022472 k( 149) = ( 0.0735294 0.0735294 -0.0000000), wk = 0.0022472 k( 150) = ( 0.0686275 0.0686275 -0.0000000), wk = 0.0022472 k( 151) = ( 0.0637255 0.0637255 -0.0000000), wk = 0.0022472 k( 152) = ( 0.0588235 0.0588235 -0.0000000), wk = 0.0022472 k( 153) = ( 0.0539216 0.0539216 -0.0000000), wk = 0.0022472 k( 154) = ( 0.0490196 0.0490196 -0.0000000), wk = 0.0022472 k( 155) = ( 0.0441177 0.0441177 -0.0000000), wk = 0.0022472 k( 156) = ( 0.0392157 0.0392157 -0.0000000), wk = 0.0022472 k( 157) = ( 0.0343137 0.0343137 -0.0000000), wk = 0.0022472 k( 158) = ( 0.0294118 0.0294118 -0.0000000), wk = 0.0022472 k( 159) = ( 0.0245098 0.0245098 -0.0000000), wk = 0.0022472 k( 160) = ( 0.0196078 0.0196078 -0.0000000), wk = 0.0022472 k( 161) = ( 0.0147059 0.0147059 -0.0000000), wk = 0.0022472 k( 162) = ( 0.0098039 0.0098039 -0.0000000), wk = 0.0022472 k( 163) = ( 0.0049020 0.0049020 -0.0000000), wk = 0.0022472 k( 164) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022472 k( 165) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022472 k( 166) = ( 0.0000000 0.0000000 0.0131579), wk = 0.0022472 k( 167) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0022472 k( 168) = ( 0.0000000 0.0000000 0.0394737), wk = 0.0022472 k( 169) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0022472 k( 170) = ( 0.0000000 0.0000000 0.0657895), wk = 0.0022472 k( 171) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0022472 k( 172) = ( 0.0000000 0.0000000 0.0921053), wk = 0.0022472 k( 173) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0022472 k( 174) = ( 0.0000000 0.0000000 0.1184210), wk = 0.0022472 k( 175) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0022472 k( 176) = ( 0.0000000 0.0000000 0.1447368), wk = 0.0022472 k( 177) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0022472 k( 178) = ( 0.0000000 0.0000000 0.1710526), wk = 0.0022472 k( 179) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0022472 k( 180) = ( 0.0000000 0.0000000 0.1973684), wk = 0.0022472 k( 181) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0022472 k( 182) = ( 0.0000000 0.0000000 0.2236842), wk = 0.0022472 k( 183) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0022472 k( 184) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0022472 k( 185) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0022472 k( 186) = ( 0.0000000 0.0000000 0.2763158), wk = 0.0022472 k( 187) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0022472 k( 188) = ( 0.0000000 0.0000000 0.3026316), wk = 0.0022472 k( 189) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0022472 k( 190) = ( 0.0000000 0.0000000 0.3289474), wk = 0.0022472 k( 191) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0022472 k( 192) = ( 0.0000000 0.0000000 0.3552632), wk = 0.0022472 k( 193) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0022472 k( 194) = ( 0.0000000 0.0000000 0.3815789), wk = 0.0022472 k( 195) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0022472 k( 196) = ( 0.0000000 0.0000000 0.4078947), wk = 0.0022472 k( 197) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0022472 k( 198) = ( 0.0000000 0.0000000 0.4342105), wk = 0.0022472 k( 199) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0022472 k( 200) = ( 0.0000000 0.0000000 0.4605263), wk = 0.0022472 k( 201) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0022472 k( 202) = ( 0.0000000 0.0000000 0.4868421), wk = 0.0022472 k( 203) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022472 k( 204) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022472 k( 205) = ( 0.0084746 0.0000000 0.5000000), wk = 0.0022472 k( 206) = ( 0.0169491 0.0000000 0.5000000), wk = 0.0022472 k( 207) = ( 0.0254237 0.0000000 0.5000000), wk = 0.0022472 k( 208) = ( 0.0338983 0.0000000 0.5000000), wk = 0.0022472 k( 209) = ( 0.0423729 0.0000000 0.5000000), wk = 0.0022472 k( 210) = ( 0.0508475 0.0000000 0.5000000), wk = 0.0022472 k( 211) = ( 0.0593220 0.0000000 0.5000000), wk = 0.0022472 k( 212) = ( 0.0677966 0.0000000 0.5000000), wk = 0.0022472 k( 213) = ( 0.0762712 0.0000000 0.5000000), wk = 0.0022472 k( 214) = ( 0.0847458 0.0000000 0.5000000), wk = 0.0022472 k( 215) = ( 0.0932203 0.0000000 0.5000000), wk = 0.0022472 k( 216) = ( 0.1016949 0.0000000 0.5000000), wk = 0.0022472 k( 217) = ( 0.1101695 0.0000000 0.5000000), wk = 0.0022472 k( 218) = ( 0.1186441 0.0000000 0.5000000), wk = 0.0022472 k( 219) = ( 0.1271186 -0.0000000 0.5000000), wk = 0.0022472 k( 220) = ( 0.1355932 0.0000000 0.5000000), wk = 0.0022472 k( 221) = ( 0.1440678 0.0000000 0.5000000), wk = 0.0022472 k( 222) = ( 0.1525424 0.0000000 0.5000000), wk = 0.0022472 k( 223) = ( 0.1610169 0.0000000 0.5000000), wk = 0.0022472 k( 224) = ( 0.1694915 0.0000000 0.5000000), wk = 0.0022472 k( 225) = ( 0.1779661 0.0000000 0.5000000), wk = 0.0022472 k( 226) = ( 0.1864407 0.0000000 0.5000000), wk = 0.0022472 k( 227) = ( 0.1949153 0.0000000 0.5000000), wk = 0.0022472 k( 228) = ( 0.2033898 0.0000000 0.5000000), wk = 0.0022472 k( 229) = ( 0.2118644 0.0000000 0.5000000), wk = 0.0022472 k( 230) = ( 0.2203390 0.0000000 0.5000000), wk = 0.0022472 k( 231) = ( 0.2288136 0.0000000 0.5000000), wk = 0.0022472 k( 232) = ( 0.2372881 0.0000000 0.5000000), wk = 0.0022472 k( 233) = ( 0.2457627 0.0000000 0.5000000), wk = 0.0022472 k( 234) = ( 0.2542373 0.0000000 0.5000000), wk = 0.0022472 k( 235) = ( 0.2627119 -0.0000000 0.5000000), wk = 0.0022472 k( 236) = ( 0.2711864 0.0000000 0.5000000), wk = 0.0022472 k( 237) = ( 0.2796610 -0.0000000 0.5000000), wk = 0.0022472 k( 238) = ( 0.2881356 0.0000000 0.5000000), wk = 0.0022472 k( 239) = ( 0.2966102 -0.0000000 0.5000000), wk = 0.0022472 k( 240) = ( 0.3050848 0.0000000 0.5000000), wk = 0.0022472 k( 241) = ( 0.3135593 0.0000000 0.5000000), wk = 0.0022472 k( 242) = ( 0.3220339 0.0000000 0.5000000), wk = 0.0022472 k( 243) = ( 0.3305085 0.0000000 0.5000000), wk = 0.0022472 k( 244) = ( 0.3389831 0.0000000 0.5000000), wk = 0.0022472 k( 245) = ( 0.3474576 0.0000000 0.5000000), wk = 0.0022472 k( 246) = ( 0.3559322 0.0000000 0.5000000), wk = 0.0022472 k( 247) = ( 0.3644068 0.0000000 0.5000000), wk = 0.0022472 k( 248) = ( 0.3728814 0.0000000 0.5000000), wk = 0.0022472 k( 249) = ( 0.3813559 0.0000000 0.5000000), wk = 0.0022472 k( 250) = ( 0.3898305 -0.0000000 0.5000000), wk = 0.0022472 k( 251) = ( 0.3983051 -0.0000000 0.5000000), wk = 0.0022472 k( 252) = ( 0.4067797 0.0000000 0.5000000), wk = 0.0022472 k( 253) = ( 0.4152542 0.0000000 0.5000000), wk = 0.0022472 k( 254) = ( 0.4237288 0.0000000 0.5000000), wk = 0.0022472 k( 255) = ( 0.4322034 0.0000000 0.5000000), wk = 0.0022472 k( 256) = ( 0.4406780 0.0000000 0.5000000), wk = 0.0022472 k( 257) = ( 0.4491525 0.0000000 0.5000000), wk = 0.0022472 k( 258) = ( 0.4576271 0.0000000 0.5000000), wk = 0.0022472 k( 259) = ( 0.4661017 0.0000000 0.5000000), wk = 0.0022472 k( 260) = ( 0.4745763 0.0000000 0.5000000), wk = 0.0022472 k( 261) = ( 0.4830508 0.0000000 0.5000000), wk = 0.0022472 k( 262) = ( 0.4915254 0.0000000 0.5000000), wk = 0.0022472 k( 263) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022472 k( 264) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022472 k( 265) = ( 0.4950980 0.0098039 0.5000000), wk = 0.0022472 k( 266) = ( 0.4901961 0.0196078 0.5000000), wk = 0.0022472 k( 267) = ( 0.4852941 0.0294118 0.5000000), wk = 0.0022472 k( 268) = ( 0.4803922 0.0392157 0.5000000), wk = 0.0022472 k( 269) = ( 0.4754902 0.0490196 0.5000000), wk = 0.0022472 k( 270) = ( 0.4705882 0.0588235 0.5000000), wk = 0.0022472 k( 271) = ( 0.4656863 0.0686275 0.5000000), wk = 0.0022472 k( 272) = ( 0.4607843 0.0784314 0.5000000), wk = 0.0022472 k( 273) = ( 0.4558823 0.0882353 0.5000000), wk = 0.0022472 k( 274) = ( 0.4509804 0.0980392 0.5000000), wk = 0.0022472 k( 275) = ( 0.4460784 0.1078431 0.5000000), wk = 0.0022472 k( 276) = ( 0.4411765 0.1176471 0.5000000), wk = 0.0022472 k( 277) = ( 0.4362745 0.1274510 0.5000000), wk = 0.0022472 k( 278) = ( 0.4313726 0.1372549 0.5000000), wk = 0.0022472 k( 279) = ( 0.4264706 0.1470588 0.5000000), wk = 0.0022472 k( 280) = ( 0.4215686 0.1568627 0.5000000), wk = 0.0022472 k( 281) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0022472 k( 282) = ( 0.4117647 0.1764706 0.5000000), wk = 0.0022472 k( 283) = ( 0.4068627 0.1862745 0.5000000), wk = 0.0022472 k( 284) = ( 0.4019608 0.1960784 0.5000000), wk = 0.0022472 k( 285) = ( 0.3970588 0.2058823 0.5000000), wk = 0.0022472 k( 286) = ( 0.3921569 0.2156863 0.5000000), wk = 0.0022472 k( 287) = ( 0.3872549 0.2254902 0.5000000), wk = 0.0022472 k( 288) = ( 0.3823529 0.2352941 0.5000000), wk = 0.0022472 k( 289) = ( 0.3774510 0.2450980 0.5000000), wk = 0.0022472 k( 290) = ( 0.3725490 0.2549020 0.5000000), wk = 0.0022472 k( 291) = ( 0.3676471 0.2647059 0.5000000), wk = 0.0022472 k( 292) = ( 0.3627451 0.2745098 0.5000000), wk = 0.0022472 k( 293) = ( 0.3578431 0.2843137 0.5000000), wk = 0.0022472 k( 294) = ( 0.3529412 0.2941177 0.5000000), wk = 0.0022472 k( 295) = ( 0.3480392 0.3039216 0.5000000), wk = 0.0022472 k( 296) = ( 0.3431373 0.3137255 0.5000000), wk = 0.0022472 k( 297) = ( 0.3382353 0.3235294 0.5000000), wk = 0.0022472 k( 298) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0022472 k( 299) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0022472 k( 300) = ( 0.3284314 0.3284314 0.5000000), wk = 0.0022472 k( 301) = ( 0.3235294 0.3235294 0.5000000), wk = 0.0022472 k( 302) = ( 0.3186274 0.3186275 0.5000000), wk = 0.0022472 k( 303) = ( 0.3137255 0.3137255 0.5000000), wk = 0.0022472 k( 304) = ( 0.3088235 0.3088235 0.5000000), wk = 0.0022472 k( 305) = ( 0.3039216 0.3039216 0.5000000), wk = 0.0022472 k( 306) = ( 0.2990196 0.2990196 0.5000000), wk = 0.0022472 k( 307) = ( 0.2941177 0.2941177 0.5000000), wk = 0.0022472 k( 308) = ( 0.2892157 0.2892157 0.5000000), wk = 0.0022472 k( 309) = ( 0.2843137 0.2843137 0.5000000), wk = 0.0022472 k( 310) = ( 0.2794118 0.2794118 0.5000000), wk = 0.0022472 k( 311) = ( 0.2745098 0.2745098 0.5000000), wk = 0.0022472 k( 312) = ( 0.2696078 0.2696078 0.5000000), wk = 0.0022472 k( 313) = ( 0.2647059 0.2647059 0.5000000), wk = 0.0022472 k( 314) = ( 0.2598039 0.2598039 0.5000000), wk = 0.0022472 k( 315) = ( 0.2549020 0.2549020 0.5000000), wk = 0.0022472 k( 316) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0022472 k( 317) = ( 0.2450980 0.2450980 0.5000000), wk = 0.0022472 k( 318) = ( 0.2401961 0.2401961 0.5000000), wk = 0.0022472 k( 319) = ( 0.2352941 0.2352941 0.5000000), wk = 0.0022472 k( 320) = ( 0.2303922 0.2303922 0.5000000), wk = 0.0022472 k( 321) = ( 0.2254902 0.2254902 0.5000000), wk = 0.0022472 k( 322) = ( 0.2205882 0.2205882 0.5000000), wk = 0.0022472 k( 323) = ( 0.2156863 0.2156863 0.5000000), wk = 0.0022472 k( 324) = ( 0.2107843 0.2107843 0.5000000), wk = 0.0022472 k( 325) = ( 0.2058823 0.2058823 0.5000000), wk = 0.0022472 k( 326) = ( 0.2009804 0.2009804 0.5000000), wk = 0.0022472 k( 327) = ( 0.1960784 0.1960784 0.5000000), wk = 0.0022472 k( 328) = ( 0.1911765 0.1911765 0.5000000), wk = 0.0022472 k( 329) = ( 0.1862745 0.1862745 0.5000000), wk = 0.0022472 k( 330) = ( 0.1813725 0.1813725 0.5000000), wk = 0.0022472 k( 331) = ( 0.1764706 0.1764706 0.5000000), wk = 0.0022472 k( 332) = ( 0.1715686 0.1715686 0.5000000), wk = 0.0022472 k( 333) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0022472 k( 334) = ( 0.1617647 0.1617647 0.5000000), wk = 0.0022472 k( 335) = ( 0.1568627 0.1568628 0.5000000), wk = 0.0022472 k( 336) = ( 0.1519608 0.1519608 0.5000000), wk = 0.0022472 k( 337) = ( 0.1470588 0.1470588 0.5000000), wk = 0.0022472 k( 338) = ( 0.1421569 0.1421569 0.5000000), wk = 0.0022472 k( 339) = ( 0.1372549 0.1372549 0.5000000), wk = 0.0022472 k( 340) = ( 0.1323529 0.1323529 0.5000000), wk = 0.0022472 k( 341) = ( 0.1274510 0.1274510 0.5000000), wk = 0.0022472 k( 342) = ( 0.1225490 0.1225490 0.5000000), wk = 0.0022472 k( 343) = ( 0.1176471 0.1176471 0.5000000), wk = 0.0022472 k( 344) = ( 0.1127451 0.1127451 0.5000000), wk = 0.0022472 k( 345) = ( 0.1078431 0.1078431 0.5000000), wk = 0.0022472 k( 346) = ( 0.1029412 0.1029412 0.5000000), wk = 0.0022472 k( 347) = ( 0.0980392 0.0980392 0.5000000), wk = 0.0022472 k( 348) = ( 0.0931373 0.0931372 0.5000000), wk = 0.0022472 k( 349) = ( 0.0882353 0.0882353 0.5000000), wk = 0.0022472 k( 350) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0022472 k( 351) = ( 0.0784314 0.0784314 0.5000000), wk = 0.0022472 k( 352) = ( 0.0735294 0.0735294 0.5000000), wk = 0.0022472 k( 353) = ( 0.0686275 0.0686275 0.5000000), wk = 0.0022472 k( 354) = ( 0.0637255 0.0637255 0.5000000), wk = 0.0022472 k( 355) = ( 0.0588235 0.0588235 0.5000000), wk = 0.0022472 k( 356) = ( 0.0539216 0.0539216 0.5000000), wk = 0.0022472 k( 357) = ( 0.0490196 0.0490196 0.5000000), wk = 0.0022472 k( 358) = ( 0.0441177 0.0441177 0.5000000), wk = 0.0022472 k( 359) = ( 0.0392157 0.0392157 0.5000000), wk = 0.0022472 k( 360) = ( 0.0343137 0.0343137 0.5000000), wk = 0.0022472 k( 361) = ( 0.0294118 0.0294118 0.5000000), wk = 0.0022472 k( 362) = ( 0.0245098 0.0245098 0.5000000), wk = 0.0022472 k( 363) = ( 0.0196078 0.0196078 0.5000000), wk = 0.0022472 k( 364) = ( 0.0147059 0.0147059 0.5000000), wk = 0.0022472 k( 365) = ( 0.0098039 0.0098039 0.5000000), wk = 0.0022472 k( 366) = ( 0.0049020 0.0049020 0.5000000), wk = 0.0022472 k( 367) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022472 k( 368) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022472 k( 369) = ( 0.5000000 0.0000000 0.4868421), wk = 0.0022472 k( 370) = ( 0.5000000 0.0000000 0.4736842), wk = 0.0022472 k( 371) = ( 0.5000000 0.0000000 0.4605263), wk = 0.0022472 k( 372) = ( 0.5000000 0.0000000 0.4473684), wk = 0.0022472 k( 373) = ( 0.5000000 0.0000000 0.4342105), wk = 0.0022472 k( 374) = ( 0.5000000 0.0000000 0.4210526), wk = 0.0022472 k( 375) = ( 0.5000000 0.0000000 0.4078947), wk = 0.0022472 k( 376) = ( 0.5000000 0.0000000 0.3947368), wk = 0.0022472 k( 377) = ( 0.5000000 0.0000000 0.3815789), wk = 0.0022472 k( 378) = ( 0.5000000 0.0000000 0.3684210), wk = 0.0022472 k( 379) = ( 0.5000000 0.0000000 0.3552632), wk = 0.0022472 k( 380) = ( 0.5000000 0.0000000 0.3421053), wk = 0.0022472 k( 381) = ( 0.5000000 0.0000000 0.3289474), wk = 0.0022472 k( 382) = ( 0.5000000 0.0000000 0.3157895), wk = 0.0022472 k( 383) = ( 0.5000000 0.0000000 0.3026316), wk = 0.0022472 k( 384) = ( 0.5000000 0.0000000 0.2894737), wk = 0.0022472 k( 385) = ( 0.5000000 0.0000000 0.2763158), wk = 0.0022472 k( 386) = ( 0.5000000 0.0000000 0.2631579), wk = 0.0022472 k( 387) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0022472 k( 388) = ( 0.5000000 0.0000000 0.2368421), wk = 0.0022472 k( 389) = ( 0.5000000 0.0000000 0.2236842), wk = 0.0022472 k( 390) = ( 0.5000000 0.0000000 0.2105263), wk = 0.0022472 k( 391) = ( 0.5000000 0.0000000 0.1973684), wk = 0.0022472 k( 392) = ( 0.5000000 0.0000000 0.1842105), wk = 0.0022472 k( 393) = ( 0.5000000 0.0000000 0.1710526), wk = 0.0022472 k( 394) = ( 0.5000000 0.0000000 0.1578947), wk = 0.0022472 k( 395) = ( 0.5000000 0.0000000 0.1447368), wk = 0.0022472 k( 396) = ( 0.5000000 0.0000000 0.1315790), wk = 0.0022472 k( 397) = ( 0.5000000 0.0000000 0.1184210), wk = 0.0022472 k( 398) = ( 0.5000000 0.0000000 0.1052632), wk = 0.0022472 k( 399) = ( 0.5000000 0.0000000 0.0921053), wk = 0.0022472 k( 400) = ( 0.5000000 0.0000000 0.0789474), wk = 0.0022472 k( 401) = ( 0.5000000 0.0000000 0.0657895), wk = 0.0022472 k( 402) = ( 0.5000000 0.0000000 0.0526316), wk = 0.0022472 k( 403) = ( 0.5000000 0.0000000 0.0394737), wk = 0.0022472 k( 404) = ( 0.5000000 0.0000000 0.0263158), wk = 0.0022472 k( 405) = ( 0.5000000 0.0000000 0.0131579), wk = 0.0022472 k( 406) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0022472 k( 407) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0022472 k( 408) = ( 0.3333333 0.3333333 0.0131579), wk = 0.0022472 k( 409) = ( 0.3333333 0.3333333 0.0263158), wk = 0.0022472 k( 410) = ( 0.3333333 0.3333333 0.0394737), wk = 0.0022472 k( 411) = ( 0.3333333 0.3333333 0.0526316), wk = 0.0022472 k( 412) = ( 0.3333333 0.3333333 0.0657895), wk = 0.0022472 k( 413) = ( 0.3333333 0.3333333 0.0789474), wk = 0.0022472 k( 414) = ( 0.3333333 0.3333333 0.0921053), wk = 0.0022472 k( 415) = ( 0.3333333 0.3333333 0.1052632), wk = 0.0022472 k( 416) = ( 0.3333333 0.3333333 0.1184210), wk = 0.0022472 k( 417) = ( 0.3333333 0.3333333 0.1315790), wk = 0.0022472 k( 418) = ( 0.3333333 0.3333333 0.1447368), wk = 0.0022472 k( 419) = ( 0.3333333 0.3333333 0.1578947), wk = 0.0022472 k( 420) = ( 0.3333333 0.3333333 0.1710526), wk = 0.0022472 k( 421) = ( 0.3333333 0.3333333 0.1842105), wk = 0.0022472 k( 422) = ( 0.3333333 0.3333333 0.1973684), wk = 0.0022472 k( 423) = ( 0.3333333 0.3333333 0.2105263), wk = 0.0022472 k( 424) = ( 0.3333333 0.3333333 0.2236842), wk = 0.0022472 k( 425) = ( 0.3333333 0.3333333 0.2368421), wk = 0.0022472 k( 426) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0022472 k( 427) = ( 0.3333333 0.3333333 0.2631579), wk = 0.0022472 k( 428) = ( 0.3333333 0.3333333 0.2763158), wk = 0.0022472 k( 429) = ( 0.3333333 0.3333333 0.2894737), wk = 0.0022472 k( 430) = ( 0.3333333 0.3333333 0.3026316), wk = 0.0022472 k( 431) = ( 0.3333333 0.3333333 0.3157895), wk = 0.0022472 k( 432) = ( 0.3333333 0.3333333 0.3289474), wk = 0.0022472 k( 433) = ( 0.3333333 0.3333333 0.3421053), wk = 0.0022472 k( 434) = ( 0.3333333 0.3333333 0.3552632), wk = 0.0022472 k( 435) = ( 0.3333333 0.3333333 0.3684211), wk = 0.0022472 k( 436) = ( 0.3333333 0.3333333 0.3815789), wk = 0.0022472 k( 437) = ( 0.3333333 0.3333333 0.3947368), wk = 0.0022472 k( 438) = ( 0.3333333 0.3333333 0.4078947), wk = 0.0022472 k( 439) = ( 0.3333333 0.3333333 0.4210526), wk = 0.0022472 k( 440) = ( 0.3333333 0.3333333 0.4342105), wk = 0.0022472 k( 441) = ( 0.3333333 0.3333333 0.4473684), wk = 0.0022472 k( 442) = ( 0.3333333 0.3333333 0.4605263), wk = 0.0022472 k( 443) = ( 0.3333333 0.3333333 0.4736842), wk = 0.0022472 k( 444) = ( 0.3333333 0.3333333 0.4868421), wk = 0.0022472 k( 445) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0022472 Dense grid: 35375 G-vectors FFT dimensions: ( 40, 40, 54) Smooth grid: 10091 G-vectors FFT dimensions: ( 25, 25, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 76, 30) NL pseudopotentials 0.04 Mb ( 38, 62) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 987) G-vector shells 0.00 Mb ( 449) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.14 Mb ( 76, 120) Each subspace H/S matrix 0.01 Mb ( 30, 30) Each matrix 0.06 Mb ( 62, 2, 30) The potential is recalculated from file : ./PtO2.save/charge-density.dat Starting wfc are 34 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 1.9 secs Computing kpt #: 3 total cpu time spent up to now is 2.0 secs Computing kpt #: 4 total cpu time spent up to now is 2.1 secs Computing kpt #: 5 total cpu time spent up to now is 2.2 secs Computing kpt #: 6 total cpu time spent up to now is 2.3 secs Computing kpt #: 7 total cpu time spent up to now is 2.4 secs Computing kpt #: 8 total cpu time spent up to now is 2.5 secs Computing kpt #: 9 total cpu time spent up to now is 2.6 secs Computing kpt #: 10 total cpu time spent up to now is 2.7 secs Computing kpt #: 11 total cpu time spent up to now is 2.8 secs Computing kpt #: 12 total cpu time spent up to now is 3.0 secs Computing kpt #: 13 total cpu time spent up to now is 3.1 secs Computing kpt #: 14 total cpu time spent up to now is 3.2 secs Computing kpt #: 15 total cpu time spent up to now is 3.3 secs Computing kpt #: 16 total cpu time spent up to now is 3.5 secs Computing kpt #: 17 total cpu time spent up to now is 3.6 secs Computing kpt #: 18 total cpu time spent up to now is 3.7 secs Computing kpt #: 19 total cpu time spent up to now is 3.8 secs Computing kpt #: 20 total cpu time spent up to now is 4.0 secs Computing kpt #: 21 total cpu time spent up to now is 4.1 secs Computing kpt #: 22 total cpu time spent up to now is 4.2 secs Computing kpt #: 23 total cpu time spent up to now is 4.3 secs Computing kpt #: 24 total cpu time spent up to now is 4.5 secs Computing kpt #: 25 total cpu time spent up to now is 4.6 secs Computing kpt #: 26 total cpu time spent up to now is 4.8 secs Computing kpt #: 27 total cpu time spent up to now is 4.9 secs Computing kpt #: 28 total cpu time spent up to now is 5.1 secs Computing kpt #: 29 total cpu time spent up to now is 5.2 secs Computing kpt #: 30 total cpu time spent up to now is 5.4 secs Computing kpt #: 31 total cpu time spent up to now is 5.6 secs Computing kpt #: 32 total cpu time spent up to now is 5.7 secs Computing kpt #: 33 total cpu time spent up to now is 5.9 secs Computing kpt #: 34 total cpu time spent up to now is 6.1 secs Computing kpt #: 35 total cpu time spent up to now is 6.2 secs Computing kpt #: 36 total cpu time spent up to now is 6.4 secs Computing kpt #: 37 total cpu time spent up to now is 6.6 secs Computing kpt #: 38 total cpu time spent up to now is 6.7 secs Computing kpt #: 39 total cpu time spent up to now is 6.9 secs Computing kpt #: 40 total cpu time spent up to now is 7.0 secs Computing kpt #: 41 total cpu time spent up to now is 7.2 secs Computing kpt #: 42 total cpu time spent up to now is 7.3 secs Computing kpt #: 43 total cpu time spent up to now is 7.4 secs Computing kpt #: 44 total cpu time spent up to now is 7.5 secs Computing kpt #: 45 total cpu time spent up to now is 7.6 secs Computing kpt #: 46 total cpu time spent up to now is 7.7 secs Computing kpt #: 47 total cpu time spent up to now is 7.8 secs Computing kpt #: 48 total cpu time spent up to now is 8.0 secs Computing kpt #: 49 total cpu time spent up to now is 8.1 secs Computing kpt #: 50 total cpu time spent up to now is 8.2 secs Computing kpt #: 51 total cpu time spent up to now is 8.3 secs Computing kpt #: 52 total cpu time spent up to now is 8.4 secs Computing kpt #: 53 total cpu time spent up to now is 8.5 secs Computing kpt #: 54 total cpu time spent up to now is 8.6 secs Computing kpt #: 55 total cpu time spent up to now is 8.7 secs Computing kpt #: 56 total cpu time spent up to now is 8.8 secs Computing kpt #: 57 total cpu time spent up to now is 8.9 secs Computing kpt #: 58 total cpu time spent up to now is 9.0 secs Computing kpt #: 59 total cpu time spent up to now is 9.1 secs Computing kpt #: 60 total cpu time spent up to now is 9.3 secs Computing kpt #: 61 total cpu time spent up to now is 9.4 secs Computing kpt #: 62 total cpu time spent up to now is 9.5 secs Computing kpt #: 63 total cpu time spent up to now is 9.6 secs Computing kpt #: 64 total cpu time spent up to now is 9.7 secs Computing kpt #: 65 total cpu time spent up to now is 9.8 secs Computing kpt #: 66 total cpu time spent up to now is 9.9 secs Computing kpt #: 67 total cpu time spent up to now is 10.0 secs Computing kpt #: 68 total cpu time spent up to now is 10.1 secs Computing kpt #: 69 total cpu time spent up to now is 10.2 secs Computing kpt #: 70 total cpu time spent up to now is 10.3 secs Computing kpt #: 71 total cpu time spent up to now is 10.4 secs Computing kpt #: 72 total cpu time spent up to now is 10.5 secs Computing kpt #: 73 total cpu time spent up to now is 10.6 secs Computing kpt #: 74 total cpu time spent up to now is 10.7 secs Computing kpt #: 75 total cpu time spent up to now is 10.8 secs Computing kpt #: 76 total cpu time spent up to now is 11.0 secs Computing kpt #: 77 total cpu time spent up to now is 11.1 secs Computing kpt #: 78 total cpu time spent up to now is 11.2 secs Computing kpt #: 79 total cpu time spent up to now is 11.3 secs Computing kpt #: 80 total cpu time spent up to now is 11.4 secs Computing kpt #: 81 total cpu time spent up to now is 11.5 secs Computing kpt #: 82 total cpu time spent up to now is 11.6 secs Computing kpt #: 83 total cpu time spent up to now is 11.7 secs Computing kpt #: 84 total cpu time spent up to now is 11.8 secs Computing kpt #: 85 total cpu time spent up to now is 12.0 secs Computing kpt #: 86 total cpu time spent up to now is 12.1 secs Computing kpt #: 87 total cpu time spent up to now is 12.2 secs Computing kpt #: 88 total cpu time spent up to now is 12.4 secs Computing kpt #: 89 total cpu time spent up to now is 12.5 secs Computing kpt #: 90 total cpu time spent up to now is 12.7 secs Computing kpt #: 91 total cpu time spent up to now is 12.8 secs Computing kpt #: 92 total cpu time spent up to now is 13.2 secs Computing kpt #: 93 total cpu time spent up to now is 13.3 secs Computing kpt #: 94 total cpu time spent up to now is 13.5 secs Computing kpt #: 95 total cpu time spent up to now is 13.6 secs Computing kpt #: 96 total cpu time spent up to now is 13.7 secs Computing kpt #: 97 total cpu time spent up to now is 13.9 secs Computing kpt #: 98 total cpu time spent up to now is 14.0 secs Computing kpt #: 99 total cpu time spent up to now is 14.2 secs Computing kpt #: 100 total cpu time spent up to now is 14.4 secs Computing kpt #: 101 total cpu time spent up to now is 14.5 secs Computing kpt #: 102 total cpu time spent up to now is 14.7 secs Computing kpt #: 103 total cpu time spent up to now is 14.8 secs Computing kpt #: 104 total cpu time spent up to now is 15.0 secs Computing kpt #: 105 total cpu time spent up to now is 15.1 secs Computing kpt #: 106 total cpu time spent up to now is 15.3 secs Computing kpt #: 107 total cpu time spent up to now is 15.4 secs Computing kpt #: 108 total cpu time spent up to now is 15.6 secs Computing kpt #: 109 total cpu time spent up to now is 15.7 secs Computing kpt #: 110 total cpu time spent up to now is 15.8 secs Computing kpt #: 111 total cpu time spent up to now is 15.9 secs Computing kpt #: 112 total cpu time spent up to now is 16.1 secs Computing kpt #: 113 total cpu time spent up to now is 16.2 secs Computing kpt #: 114 total cpu time spent up to now is 16.4 secs Computing kpt #: 115 total cpu time spent up to now is 16.5 secs Computing kpt #: 116 total cpu time spent up to now is 16.7 secs Computing kpt #: 117 total cpu time spent up to now is 16.8 secs Computing kpt #: 118 total cpu time spent up to now is 17.0 secs Computing kpt #: 119 total cpu time spent up to now is 17.1 secs Computing kpt #: 120 total cpu time spent up to now is 17.3 secs Computing kpt #: 121 total cpu time spent up to now is 17.4 secs Computing kpt #: 122 total cpu time spent up to now is 17.6 secs Computing kpt #: 123 total cpu time spent up to now is 17.8 secs Computing kpt #: 124 total cpu time spent up to now is 17.9 secs Computing kpt #: 125 total cpu time spent up to now is 18.1 secs Computing kpt #: 126 total cpu time spent up to now is 18.3 secs Computing kpt #: 127 total cpu time spent up to now is 18.4 secs Computing kpt #: 128 total cpu time spent up to now is 18.6 secs Computing kpt #: 129 total cpu time spent up to now is 18.8 secs Computing kpt #: 130 total cpu time spent up to now is 18.9 secs Computing kpt #: 131 total cpu time spent up to now is 19.1 secs Computing kpt #: 132 total cpu time spent up to now is 19.3 secs Computing kpt #: 133 total cpu time spent up to now is 19.5 secs Computing kpt #: 134 total cpu time spent up to now is 19.6 secs Computing kpt #: 135 total cpu time spent up to now is 19.8 secs Computing kpt #: 136 total cpu time spent up to now is 20.0 secs Computing kpt #: 137 total cpu time spent up to now is 20.1 secs Computing kpt #: 138 total cpu time spent up to now is 20.3 secs Computing kpt #: 139 total cpu time spent up to now is 20.4 secs Computing kpt #: 140 total cpu time spent up to now is 20.6 secs Computing kpt #: 141 total cpu time spent up to now is 20.7 secs Computing kpt #: 142 total cpu time spent up to now is 20.8 secs Computing kpt #: 143 total cpu time spent up to now is 20.9 secs Computing kpt #: 144 total cpu time spent up to now is 21.1 secs Computing kpt #: 145 total cpu time spent up to now is 21.2 secs Computing kpt #: 146 total cpu time spent up to now is 21.3 secs Computing kpt #: 147 total cpu time spent up to now is 21.4 secs Computing kpt #: 148 total cpu time spent up to now is 21.6 secs Computing kpt #: 149 total cpu time spent up to now is 21.7 secs Computing kpt #: 150 total cpu time spent up to now is 21.8 secs Computing kpt #: 151 total cpu time spent up to now is 21.9 secs Computing kpt #: 152 total cpu time spent up to now is 22.0 secs Computing kpt #: 153 total cpu time spent up to now is 22.2 secs Computing kpt #: 154 total cpu time spent up to now is 22.3 secs Computing kpt #: 155 total cpu time spent up to now is 22.4 secs Computing kpt #: 156 total cpu time spent up to now is 22.5 secs Computing kpt #: 157 total cpu time spent up to now is 22.6 secs Computing kpt #: 158 total cpu time spent up to now is 22.7 secs Computing kpt #: 159 total cpu time spent up to now is 22.8 secs Computing kpt #: 160 total cpu time spent up to now is 22.9 secs Computing kpt #: 161 total cpu time spent up to now is 23.0 secs Computing kpt #: 162 total cpu time spent up to now is 23.1 secs Computing kpt #: 163 total cpu time spent up to now is 23.2 secs Computing kpt #: 164 total cpu time spent up to now is 23.4 secs Computing kpt #: 165 total cpu time spent up to now is 23.5 secs Computing kpt #: 166 total cpu time spent up to now is 23.6 secs Computing kpt #: 167 total cpu time spent up to now is 23.7 secs Computing kpt #: 168 total cpu time spent up to now is 23.8 secs Computing kpt #: 169 total cpu time spent up to now is 23.9 secs Computing kpt #: 170 total cpu time spent up to now is 24.0 secs Computing kpt #: 171 total cpu time spent up to now is 24.1 secs Computing kpt #: 172 total cpu time spent up to now is 24.2 secs Computing kpt #: 173 total cpu time spent up to now is 24.3 secs Computing kpt #: 174 total cpu time spent up to now is 24.4 secs Computing kpt #: 175 total cpu time spent up to now is 24.5 secs Computing kpt #: 176 total cpu time spent up to now is 24.7 secs Computing kpt #: 177 total cpu time spent up to now is 24.8 secs Computing kpt #: 178 total cpu time spent up to now is 24.9 secs Computing kpt #: 179 total cpu time spent up to now is 25.0 secs Computing kpt #: 180 total cpu time spent up to now is 25.1 secs Computing kpt #: 181 total cpu time spent up to now is 25.2 secs Computing kpt #: 182 total cpu time spent up to now is 25.3 secs Computing kpt #: 183 total cpu time spent up to now is 25.4 secs Computing kpt #: 184 total cpu time spent up to now is 25.5 secs Computing kpt #: 185 total cpu time spent up to now is 25.6 secs Computing kpt #: 186 total cpu time spent up to now is 25.8 secs Computing kpt #: 187 total cpu time spent up to now is 25.9 secs Computing kpt #: 188 total cpu time spent up to now is 26.0 secs Computing kpt #: 189 total cpu time spent up to now is 26.1 secs Computing kpt #: 190 total cpu time spent up to now is 26.2 secs Computing kpt #: 191 total cpu time spent up to now is 26.3 secs Computing kpt #: 192 total cpu time spent up to now is 26.4 secs Computing kpt #: 193 total cpu time spent up to now is 26.5 secs Computing kpt #: 194 total cpu time spent up to now is 26.6 secs Computing kpt #: 195 total cpu time spent up to now is 26.7 secs Computing kpt #: 196 total cpu time spent up to now is 26.8 secs Computing kpt #: 197 total cpu time spent up to now is 26.9 secs Computing kpt #: 198 total cpu time spent up to now is 27.0 secs Computing kpt #: 199 total cpu time spent up to now is 27.1 secs Computing kpt #: 200 total cpu time spent up to now is 27.2 secs Computing kpt #: 201 total cpu time spent up to now is 27.4 secs Computing kpt #: 202 total cpu time spent up to now is 27.5 secs Computing kpt #: 203 total cpu time spent up to now is 27.6 secs Computing kpt #: 204 total cpu time spent up to now is 27.7 secs Computing kpt #: 205 total cpu time spent up to now is 27.8 secs Computing kpt #: 206 total cpu time spent up to now is 27.9 secs Computing kpt #: 207 total cpu time spent up to now is 28.0 secs Computing kpt #: 208 total cpu time spent up to now is 28.1 secs Computing kpt #: 209 total cpu time spent up to now is 28.2 secs Computing kpt #: 210 total cpu time spent up to now is 28.3 secs Computing kpt #: 211 total cpu time spent up to now is 28.4 secs Computing kpt #: 212 total cpu time spent up to now is 28.5 secs Computing kpt #: 213 total cpu time spent up to now is 28.6 secs Computing kpt #: 214 total cpu time spent up to now is 28.7 secs Computing kpt #: 215 total cpu time spent up to now is 28.9 secs Computing kpt #: 216 total cpu time spent up to now is 29.0 secs Computing kpt #: 217 total cpu time spent up to now is 29.1 secs Computing kpt #: 218 total cpu time spent up to now is 29.2 secs Computing kpt #: 219 total cpu time spent up to now is 29.3 secs Computing kpt #: 220 total cpu time spent up to now is 29.4 secs Computing kpt #: 221 total cpu time spent up to now is 29.5 secs Computing kpt #: 222 total cpu time spent up to now is 29.6 secs Computing kpt #: 223 total cpu time spent up to now is 29.7 secs Computing kpt #: 224 total cpu time spent up to now is 29.8 secs Computing kpt #: 225 total cpu time spent up to now is 29.9 secs Computing kpt #: 226 total cpu time spent up to now is 30.0 secs Computing kpt #: 227 total cpu time spent up to now is 30.1 secs Computing kpt #: 228 total cpu time spent up to now is 30.2 secs Computing kpt #: 229 total cpu time spent up to now is 30.3 secs Computing kpt #: 230 total cpu time spent up to now is 30.4 secs Computing kpt #: 231 total cpu time spent up to now is 30.6 secs Computing kpt #: 232 total cpu time spent up to now is 30.7 secs Computing kpt #: 233 total cpu time spent up to now is 30.8 secs Computing kpt #: 234 total cpu time spent up to now is 30.9 secs Computing kpt #: 235 total cpu time spent up to now is 31.1 secs Computing kpt #: 236 total cpu time spent up to now is 31.2 secs Computing kpt #: 237 total cpu time spent up to now is 31.4 secs Computing kpt #: 238 total cpu time spent up to now is 31.5 secs Computing kpt #: 239 total cpu time spent up to now is 31.7 secs Computing kpt #: 240 total cpu time spent up to now is 31.9 secs Computing kpt #: 241 total cpu time spent up to now is 32.1 secs Computing kpt #: 242 total cpu time spent up to now is 32.3 secs Computing kpt #: 243 total cpu time spent up to now is 32.5 secs Computing kpt #: 244 total cpu time spent up to now is 32.7 secs Computing kpt #: 245 total cpu time spent up to now is 32.8 secs Computing kpt #: 246 total cpu time spent up to now is 33.0 secs Computing kpt #: 247 total cpu time spent up to now is 33.2 secs Computing kpt #: 248 total cpu time spent up to now is 33.3 secs Computing kpt #: 249 total cpu time spent up to now is 33.5 secs Computing kpt #: 250 total cpu time spent up to now is 33.6 secs Computing kpt #: 251 total cpu time spent up to now is 33.7 secs Computing kpt #: 252 total cpu time spent up to now is 33.9 secs Computing kpt #: 253 total cpu time spent up to now is 34.0 secs Computing kpt #: 254 total cpu time spent up to now is 34.1 secs Computing kpt #: 255 total cpu time spent up to now is 34.2 secs Computing kpt #: 256 total cpu time spent up to now is 34.3 secs Computing kpt #: 257 total cpu time spent up to now is 34.4 secs Computing kpt #: 258 total cpu time spent up to now is 34.5 secs Computing kpt #: 259 total cpu time spent up to now is 34.7 secs Computing kpt #: 260 total cpu time spent up to now is 34.8 secs Computing kpt #: 261 total cpu time spent up to now is 34.9 secs Computing kpt #: 262 total cpu time spent up to now is 35.0 secs Computing kpt #: 263 total cpu time spent up to now is 35.1 secs Computing kpt #: 264 total cpu time spent up to now is 35.2 secs Computing kpt #: 265 total cpu time spent up to now is 35.3 secs Computing kpt #: 266 total cpu time spent up to now is 35.4 secs Computing kpt #: 267 total cpu time spent up to now is 35.5 secs Computing kpt #: 268 total cpu time spent up to now is 35.6 secs Computing kpt #: 269 total cpu time spent up to now is 35.8 secs Computing kpt #: 270 total cpu time spent up to now is 35.9 secs Computing kpt #: 271 total cpu time spent up to now is 36.0 secs Computing kpt #: 272 total cpu time spent up to now is 36.1 secs Computing kpt #: 273 total cpu time spent up to now is 36.2 secs Computing kpt #: 274 total cpu time spent up to now is 36.3 secs Computing kpt #: 275 total cpu time spent up to now is 36.4 secs Computing kpt #: 276 total cpu time spent up to now is 36.6 secs Computing kpt #: 277 total cpu time spent up to now is 36.7 secs Computing kpt #: 278 total cpu time spent up to now is 36.8 secs Computing kpt #: 279 total cpu time spent up to now is 36.9 secs Computing kpt #: 280 total cpu time spent up to now is 37.0 secs Computing kpt #: 281 total cpu time spent up to now is 37.2 secs Computing kpt #: 282 total cpu time spent up to now is 37.3 secs Computing kpt #: 283 total cpu time spent up to now is 37.4 secs Computing kpt #: 284 total cpu time spent up to now is 37.6 secs Computing kpt #: 285 total cpu time spent up to now is 37.7 secs Computing kpt #: 286 total cpu time spent up to now is 37.8 secs Computing kpt #: 287 total cpu time spent up to now is 38.0 secs Computing kpt #: 288 total cpu time spent up to now is 38.1 secs Computing kpt #: 289 total cpu time spent up to now is 38.2 secs Computing kpt #: 290 total cpu time spent up to now is 38.4 secs Computing kpt #: 291 total cpu time spent up to now is 38.5 secs Computing kpt #: 292 total cpu time spent up to now is 38.7 secs Computing kpt #: 293 total cpu time spent up to now is 38.8 secs Computing kpt #: 294 total cpu time spent up to now is 39.0 secs Computing kpt #: 295 total cpu time spent up to now is 39.1 secs Computing kpt #: 296 total cpu time spent up to now is 39.3 secs Computing kpt #: 297 total cpu time spent up to now is 39.5 secs Computing kpt #: 298 total cpu time spent up to now is 39.6 secs Computing kpt #: 299 total cpu time spent up to now is 39.7 secs Computing kpt #: 300 total cpu time spent up to now is 39.9 secs Computing kpt #: 301 total cpu time spent up to now is 40.1 secs Computing kpt #: 302 total cpu time spent up to now is 40.2 secs Computing kpt #: 303 total cpu time spent up to now is 40.4 secs Computing kpt #: 304 total cpu time spent up to now is 40.5 secs Computing kpt #: 305 total cpu time spent up to now is 40.7 secs Computing kpt #: 306 total cpu time spent up to now is 40.8 secs Computing kpt #: 307 total cpu time spent up to now is 41.0 secs Computing kpt #: 308 total cpu time spent up to now is 41.2 secs Computing kpt #: 309 total cpu time spent up to now is 41.3 secs Computing kpt #: 310 total cpu time spent up to now is 41.5 secs Computing kpt #: 311 total cpu time spent up to now is 41.6 secs Computing kpt #: 312 total cpu time spent up to now is 41.8 secs Computing kpt #: 313 total cpu time spent up to now is 41.9 secs Computing kpt #: 314 total cpu time spent up to now is 42.1 secs Computing kpt #: 315 total cpu time spent up to now is 42.2 secs Computing kpt #: 316 total cpu time spent up to now is 42.4 secs Computing kpt #: 317 total cpu time spent up to now is 42.6 secs Computing kpt #: 318 total cpu time spent up to now is 42.7 secs Computing kpt #: 319 total cpu time spent up to now is 42.9 secs Computing kpt #: 320 total cpu time spent up to now is 43.1 secs Computing kpt #: 321 total cpu time spent up to now is 43.3 secs Computing kpt #: 322 total cpu time spent up to now is 43.5 secs Computing kpt #: 323 total cpu time spent up to now is 43.7 secs Computing kpt #: 324 total cpu time spent up to now is 43.9 secs Computing kpt #: 325 total cpu time spent up to now is 44.1 secs Computing kpt #: 326 total cpu time spent up to now is 44.3 secs Computing kpt #: 327 total cpu time spent up to now is 44.5 secs Computing kpt #: 328 total cpu time spent up to now is 44.7 secs Computing kpt #: 329 total cpu time spent up to now is 44.9 secs Computing kpt #: 330 total cpu time spent up to now is 45.1 secs Computing kpt #: 331 total cpu time spent up to now is 45.2 secs Computing kpt #: 332 total cpu time spent up to now is 45.4 secs Computing kpt #: 333 total cpu time spent up to now is 45.5 secs Computing kpt #: 334 total cpu time spent up to now is 45.6 secs Computing kpt #: 335 total cpu time spent up to now is 45.8 secs Computing kpt #: 336 total cpu time spent up to now is 45.9 secs Computing kpt #: 337 total cpu time spent up to now is 46.0 secs Computing kpt #: 338 total cpu time spent up to now is 46.1 secs Computing kpt #: 339 total cpu time spent up to now is 46.2 secs Computing kpt #: 340 total cpu time spent up to now is 46.3 secs Computing kpt #: 341 total cpu time spent up to now is 46.4 secs Computing kpt #: 342 total cpu time spent up to now is 46.6 secs Computing kpt #: 343 total cpu time spent up to now is 46.7 secs Computing kpt #: 344 total cpu time spent up to now is 46.8 secs Computing kpt #: 345 total cpu time spent up to now is 46.9 secs Computing kpt #: 346 total cpu time spent up to now is 47.0 secs Computing kpt #: 347 total cpu time spent up to now is 47.1 secs Computing kpt #: 348 total cpu time spent up to now is 47.2 secs Computing kpt #: 349 total cpu time spent up to now is 47.3 secs Computing kpt #: 350 total cpu time spent up to now is 47.4 secs Computing kpt #: 351 total cpu time spent up to now is 47.5 secs Computing kpt #: 352 total cpu time spent up to now is 47.6 secs Computing kpt #: 353 total cpu time spent up to now is 47.7 secs Computing kpt #: 354 total cpu time spent up to now is 47.8 secs Computing kpt #: 355 total cpu time spent up to now is 47.9 secs Computing kpt #: 356 total cpu time spent up to now is 48.1 secs Computing kpt #: 357 total cpu time spent up to now is 48.2 secs Computing kpt #: 358 total cpu time spent up to now is 48.4 secs Computing kpt #: 359 total cpu time spent up to now is 48.5 secs Computing kpt #: 360 total cpu time spent up to now is 48.6 secs Computing kpt #: 361 total cpu time spent up to now is 48.7 secs Computing kpt #: 362 total cpu time spent up to now is 48.8 secs Computing kpt #: 363 total cpu time spent up to now is 48.9 secs Computing kpt #: 364 total cpu time spent up to now is 49.0 secs Computing kpt #: 365 total cpu time spent up to now is 49.1 secs Computing kpt #: 366 total cpu time spent up to now is 49.2 secs Computing kpt #: 367 total cpu time spent up to now is 49.3 secs Computing kpt #: 368 total cpu time spent up to now is 49.4 secs Computing kpt #: 369 total cpu time spent up to now is 49.5 secs Computing kpt #: 370 total cpu time spent up to now is 49.6 secs Computing kpt #: 371 total cpu time spent up to now is 49.7 secs Computing kpt #: 372 total cpu time spent up to now is 49.8 secs Computing kpt #: 373 total cpu time spent up to now is 49.9 secs Computing kpt #: 374 total cpu time spent up to now is 50.1 secs Computing kpt #: 375 total cpu time spent up to now is 50.2 secs Computing kpt #: 376 total cpu time spent up to now is 50.3 secs Computing kpt #: 377 total cpu time spent up to now is 50.4 secs Computing kpt #: 378 total cpu time spent up to now is 50.5 secs Computing kpt #: 379 total cpu time spent up to now is 50.6 secs Computing kpt #: 380 total cpu time spent up to now is 50.7 secs Computing kpt #: 381 total cpu time spent up to now is 50.8 secs Computing kpt #: 382 total cpu time spent up to now is 50.9 secs Computing kpt #: 383 total cpu time spent up to now is 51.0 secs Computing kpt #: 384 total cpu time spent up to now is 51.1 secs Computing kpt #: 385 total cpu time spent up to now is 51.2 secs Computing kpt #: 386 total cpu time spent up to now is 51.4 secs Computing kpt #: 387 total cpu time spent up to now is 51.5 secs Computing kpt #: 388 total cpu time spent up to now is 51.6 secs Computing kpt #: 389 total cpu time spent up to now is 51.7 secs Computing kpt #: 390 total cpu time spent up to now is 51.8 secs Computing kpt #: 391 total cpu time spent up to now is 51.9 secs Computing kpt #: 392 total cpu time spent up to now is 52.0 secs Computing kpt #: 393 total cpu time spent up to now is 52.1 secs Computing kpt #: 394 total cpu time spent up to now is 52.2 secs Computing kpt #: 395 total cpu time spent up to now is 52.3 secs Computing kpt #: 396 total cpu time spent up to now is 52.4 secs Computing kpt #: 397 total cpu time spent up to now is 52.5 secs Computing kpt #: 398 total cpu time spent up to now is 52.6 secs Computing kpt #: 399 total cpu time spent up to now is 52.7 secs Computing kpt #: 400 total cpu time spent up to now is 52.8 secs Computing kpt #: 401 total cpu time spent up to now is 53.0 secs Computing kpt #: 402 total cpu time spent up to now is 53.1 secs Computing kpt #: 403 total cpu time spent up to now is 53.2 secs Computing kpt #: 404 total cpu time spent up to now is 53.3 secs Computing kpt #: 405 total cpu time spent up to now is 53.4 secs Computing kpt #: 406 total cpu time spent up to now is 53.5 secs Computing kpt #: 407 total cpu time spent up to now is 53.6 secs Computing kpt #: 408 total cpu time spent up to now is 53.7 secs Computing kpt #: 409 total cpu time spent up to now is 53.9 secs Computing kpt #: 410 total cpu time spent up to now is 54.0 secs Computing kpt #: 411 total cpu time spent up to now is 54.1 secs Computing kpt #: 412 total cpu time spent up to now is 54.3 secs Computing kpt #: 413 total cpu time spent up to now is 54.4 secs Computing kpt #: 414 total cpu time spent up to now is 54.6 secs Computing kpt #: 415 total cpu time spent up to now is 54.7 secs Computing kpt #: 416 total cpu time spent up to now is 54.9 secs Computing kpt #: 417 total cpu time spent up to now is 55.0 secs Computing kpt #: 418 total cpu time spent up to now is 55.1 secs Computing kpt #: 419 total cpu time spent up to now is 55.3 secs Computing kpt #: 420 total cpu time spent up to now is 55.4 secs Computing kpt #: 421 total cpu time spent up to now is 55.6 secs Computing kpt #: 422 total cpu time spent up to now is 55.7 secs Computing kpt #: 423 total cpu time spent up to now is 55.8 secs Computing kpt #: 424 total cpu time spent up to now is 56.0 secs Computing kpt #: 425 total cpu time spent up to now is 56.1 secs Computing kpt #: 426 total cpu time spent up to now is 56.3 secs Computing kpt #: 427 total cpu time spent up to now is 56.4 secs Computing kpt #: 428 total cpu time spent up to now is 56.6 secs Computing kpt #: 429 total cpu time spent up to now is 56.7 secs Computing kpt #: 430 total cpu time spent up to now is 56.8 secs Computing kpt #: 431 total cpu time spent up to now is 56.9 secs Computing kpt #: 432 total cpu time spent up to now is 57.1 secs Computing kpt #: 433 total cpu time spent up to now is 57.2 secs Computing kpt #: 434 total cpu time spent up to now is 57.3 secs Computing kpt #: 435 total cpu time spent up to now is 57.5 secs Computing kpt #: 436 total cpu time spent up to now is 57.6 secs Computing kpt #: 437 total cpu time spent up to now is 57.7 secs Computing kpt #: 438 total cpu time spent up to now is 57.8 secs Computing kpt #: 439 total cpu time spent up to now is 58.0 secs Computing kpt #: 440 total cpu time spent up to now is 58.1 secs Computing kpt #: 441 total cpu time spent up to now is 58.2 secs Computing kpt #: 442 total cpu time spent up to now is 58.4 secs Computing kpt #: 443 total cpu time spent up to now is 58.5 secs Computing kpt #: 444 total cpu time spent up to now is 58.6 secs Computing kpt #: 445 total cpu time spent up to now is 58.8 secs ethr = 4.55E-08, avg # of iterations = 16.9 total cpu time spent up to now is 58.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1265 PWs) bands (ev): -9.6010 -9.6010 -6.8545 -6.8545 2.8315 2.8315 4.5027 4.5027 4.9222 4.9222 7.0019 7.0019 7.3003 7.3003 8.0850 8.0850 8.3532 8.3532 8.5212 8.5212 8.5615 8.5615 9.9149 9.9149 9.9892 9.9892 11.4819 11.4819 18.8006 18.8006 k = 0.0085 0.0049-0.0000 ( 1265 PWs) bands (ev): -9.6003 -9.6003 -6.8549 -6.8549 2.8330 2.8330 4.5032 4.5032 4.9227 4.9227 7.0006 7.0006 7.2993 7.2993 8.0830 8.0830 8.3481 8.3481 8.5178 8.5178 8.5596 8.5596 9.9196 9.9196 9.9932 9.9932 11.4870 11.4870 18.8033 18.8033 k = 0.0169 0.0098-0.0000 ( 1265 PWs) bands (ev): -9.5982 -9.5982 -6.8559 -6.8559 2.8374 2.8374 4.5048 4.5048 4.9244 4.9244 6.9965 6.9965 7.2963 7.2963 8.0770 8.0770 8.3324 8.3324 8.5077 8.5077 8.5550 8.5550 9.9322 9.9322 10.0056 10.0056 11.5020 11.5020 18.8112 18.8112 k = 0.0254 0.0147-0.0000 ( 1265 PWs) bands (ev): -9.5946 -9.5946 -6.8576 -6.8576 2.8449 2.8449 4.5075 4.5075 4.9272 4.9272 6.9896 6.9896 7.2914 7.2914 8.0664 8.0664 8.3059 8.3059 8.4920 8.4920 8.5495 8.5495 9.9500 9.9500 10.0280 10.0280 11.5267 11.5267 18.8244 18.8244 k = 0.0339 0.0196-0.0000 ( 1265 PWs) bands (ev): -9.5897 -9.5897 -6.8601 -6.8601 2.8552 2.8552 4.5112 4.5112 4.9312 4.9312 6.9798 6.9798 7.2843 7.2843 8.0502 8.0502 8.2692 8.2692 8.4730 8.4730 8.5437 8.5437 9.9699 9.9699 10.0612 10.0612 11.5609 11.5609 18.8428 18.8428 k = 0.0424 0.0245-0.0000 ( 1265 PWs) bands (ev): -9.5833 -9.5833 -6.8632 -6.8632 2.8685 2.8685 4.5159 4.5159 4.9362 4.9362 6.9668 6.9668 7.2751 7.2751 8.0268 8.0268 8.2249 8.2249 8.4528 8.4528 8.5377 8.5377 9.9909 9.9909 10.1036 10.1036 11.6039 11.6039 18.8663 18.8663 k = 0.0508 0.0294-0.0000 ( 1271 PWs) bands (ev): -9.5755 -9.5755 -6.8670 -6.8670 2.8847 2.8847 4.5217 4.5217 4.9424 4.9424 6.9503 6.9503 7.2636 7.2636 7.9937 7.9937 8.1775 8.1775 8.4328 8.4328 8.5316 8.5316 10.0135 10.0135 10.1529 10.1529 11.6553 11.6553 18.8950 18.8950 k = 0.0593 0.0342-0.0000 ( 1271 PWs) bands (ev): -9.5663 -9.5663 -6.8715 -6.8715 2.9037 2.9037 4.5284 4.5284 4.9496 4.9496 6.9298 6.9298 7.2496 7.2496 7.9487 7.9487 8.1318 8.1318 8.4131 8.4131 8.5254 8.5254 10.0378 10.0378 10.2068 10.2068 11.7143 11.7143 18.9286 18.9286 k = 0.0678 0.0391-0.0000 ( 1267 PWs) bands (ev): -9.5558 -9.5558 -6.8767 -6.8767 2.9255 2.9255 4.5362 4.5362 4.9579 4.9579 6.9048 6.9048 7.2331 7.2331 7.8924 7.8924 8.0904 8.0904 8.3939 8.3939 8.5194 8.5194 10.0643 10.0643 10.2635 10.2635 11.7803 11.7803 18.9672 18.9672 k = 0.0763 0.0440-0.0000 ( 1269 PWs) bands (ev): -9.5439 -9.5439 -6.8825 -6.8825 2.9500 2.9500 4.5449 4.5449 4.9673 4.9673 6.8745 6.8745 7.2140 7.2140 7.8281 7.8281 8.0524 8.0524 8.3754 8.3754 8.5138 8.5138 10.0927 10.0927 10.3217 10.3217 11.8524 11.8524 19.0105 19.0105 k = 0.0847 0.0489-0.0000 ( 1263 PWs) bands (ev): -9.5306 -9.5306 -6.8890 -6.8890 2.9772 2.9772 4.5546 4.5546 4.9777 4.9777 6.8381 6.8381 7.1922 7.1922 7.7601 7.7601 8.0160 8.0160 8.3576 8.3576 8.5087 8.5087 10.1232 10.1232 10.3805 10.3805 11.9298 11.9298 19.0585 19.0585 k = 0.0932 0.0538-0.0000 ( 1267 PWs) bands (ev): -9.5160 -9.5160 -6.8961 -6.8961 3.0069 3.0069 4.5651 4.5651 4.9892 4.9892 6.7945 6.7945 7.1680 7.1680 7.6922 7.6922 7.9794 7.9794 8.3407 8.3407 8.5044 8.5044 10.1554 10.1554 10.4392 10.4392 12.0118 12.0118 19.1110 19.1110 k = 0.1017 0.0587-0.0000 ( 1271 PWs) bands (ev): -9.5001 -9.5001 -6.9039 -6.9039 3.0391 3.0391 4.5765 4.5765 5.0016 5.0016 6.7429 6.7429 7.1416 7.1416 7.6272 7.6272 7.9420 7.9420 8.3246 8.3246 8.5011 8.5011 10.1893 10.1893 10.4975 10.4975 12.0977 12.0977 19.1678 19.1678 k = 0.1102 0.0636-0.0000 ( 1277 PWs) bands (ev): -9.4829 -9.4829 -6.9123 -6.9123 3.0737 3.0737 4.5887 4.5887 5.0149 5.0149 6.6828 6.6828 7.1136 7.1136 7.5665 7.5665 7.9033 7.9033 8.3095 8.3095 8.4989 8.4989 10.2246 10.2246 10.5548 10.5548 12.1868 12.1868 19.2287 19.2287 k = 0.1186 0.0685-0.0000 ( 1277 PWs) bands (ev): -9.4645 -9.4645 -6.9213 -6.9213 3.1105 3.1105 4.6017 4.6017 5.0291 5.0291 6.6139 6.6139 7.0846 7.0846 7.5108 7.5108 7.8634 7.8634 8.2953 8.2953 8.4979 8.4979 10.2612 10.2612 10.6111 10.6111 12.2784 12.2784 19.2936 19.2936 k = 0.1271 0.0734-0.0000 ( 1279 PWs) bands (ev): -9.4448 -9.4448 -6.9310 -6.9310 3.1493 3.1493 4.6154 4.6154 5.0442 5.0442 6.5369 6.5369 7.0551 7.0551 7.4599 7.4599 7.8224 7.8224 8.2822 8.2822 8.4983 8.4983 10.2988 10.2988 10.6661 10.6661 12.3719 12.3719 19.3622 19.3622 k = 0.1356 0.0783-0.0000 ( 1279 PWs) bands (ev): -9.4239 -9.4239 -6.9412 -6.9412 3.1902 3.1902 4.6298 4.6298 5.0601 5.0601 6.4526 6.4526 7.0255 7.0255 7.4132 7.4132 7.7807 7.7807 8.2700 8.2700 8.5000 8.5000 10.3373 10.3373 10.7196 10.7196 12.4668 12.4668 19.4343 19.4343 k = 0.1441 0.0832-0.0000 ( 1279 PWs) bands (ev): -9.4018 -9.4018 -6.9520 -6.9520 3.2328 3.2328 4.6446 4.6446 5.0767 5.0767 6.3625 6.3625 6.9962 6.9962 7.3697 7.3697 7.7385 7.7385 8.2588 8.2588 8.5033 8.5033 10.3765 10.3765 10.7715 10.7715 12.5627 12.5627 19.5096 19.5096 k = 0.1525 0.0881-0.0000 ( 1279 PWs) bands (ev): -9.3786 -9.3786 -6.9633 -6.9633 3.2771 3.2771 4.6598 4.6598 5.0938 5.0938 6.2681 6.2681 6.9673 6.9673 7.3284 7.3284 7.6963 7.6963 8.2486 8.2486 8.5081 8.5081 10.4163 10.4163 10.8216 10.8216 12.6590 12.6590 19.5878 19.5878 k = 0.1610 0.0930-0.0000 ( 1273 PWs) bands (ev): -9.3543 -9.3543 -6.9752 -6.9752 3.3227 3.3227 4.6752 4.6752 5.1114 5.1114 6.1711 6.1711 6.9387 6.9387 7.2884 7.2884 7.6544 7.6544 8.2395 8.2395 8.5145 8.5145 10.4566 10.4566 10.8699 10.8699 12.7556 12.7556 19.6685 19.6685 k = 0.1695 0.0979-0.0000 ( 1277 PWs) bands (ev): -9.3288 -9.3288 -6.9877 -6.9877 3.3696 3.3696 4.6905 4.6905 5.1291 5.1291 6.0730 6.0730 6.9105 6.9105 7.2489 7.2489 7.6131 7.6131 8.2313 8.2313 8.5225 8.5225 10.4971 10.4971 10.9162 10.9162 12.8520 12.8520 19.7513 19.7513 k = 0.1780 0.1027-0.0000 ( 1273 PWs) bands (ev): -9.3024 -9.3024 -7.0007 -7.0007 3.4174 3.4174 4.7052 4.7052 5.1468 5.1468 5.9755 5.9755 6.8827 6.8827 7.2094 7.2094 7.5728 7.5728 8.2242 8.2242 8.5320 8.5320 10.5378 10.5378 10.9604 10.9604 12.9480 12.9480 19.8359 19.8359 k = 0.1864 0.1076-0.0000 ( 1273 PWs) bands (ev): -9.2749 -9.2749 -7.0142 -7.0142 3.4659 3.4659 4.7186 4.7186 5.1639 5.1639 5.8807 5.8807 6.8552 6.8552 7.1694 7.1694 7.5338 7.5338 8.2181 8.2181 8.5432 8.5432 10.5785 10.5785 11.0024 11.0024 13.0434 13.0434 19.9216 19.9216 k = 0.1949 0.1125-0.0000 ( 1273 PWs) bands (ev): -9.2465 -9.2465 -7.0282 -7.0282 3.5149 3.5149 4.7300 4.7300 5.1798 5.1798 5.7909 5.7909 6.8279 6.8279 7.1285 7.1285 7.4963 7.4963 8.2131 8.2131 8.5559 8.5559 10.6192 10.6192 11.0421 11.0421 13.1379 13.1379 20.0078 20.0078 k = 0.2034 0.1174-0.0000 ( 1275 PWs) bands (ev): -9.2171 -9.2171 -7.0427 -7.0427 3.5641 3.5641 4.7378 4.7378 5.1933 5.1933 5.7091 5.7091 6.8010 6.8010 7.0868 7.0868 7.4603 7.4603 8.2091 8.2091 8.5701 8.5701 10.6596 10.6596 11.0794 11.0794 13.2316 13.2316 20.0936 20.0936 k = 0.2119 0.1223-0.0000 ( 1275 PWs) bands (ev): -9.1869 -9.1869 -7.0577 -7.0577 3.6133 3.6133 4.7401 4.7401 5.2031 5.2031 5.6391 5.6391 6.7743 6.7743 7.0441 7.0441 7.4260 7.4260 8.2062 8.2062 8.5859 8.5859 10.6999 10.6999 11.1141 11.1141 13.3241 13.3241 20.1781 20.1781 k = 0.2203 0.1272-0.0000 ( 1277 PWs) bands (ev): -9.1559 -9.1559 -7.0732 -7.0732 3.6620 3.6620 4.7343 4.7343 5.2079 5.2079 5.5854 5.5854 6.7480 6.7480 7.0006 7.0006 7.3933 7.3933 8.2044 8.2044 8.6032 8.6032 10.7397 10.7397 11.1461 11.1461 13.4155 13.4155 20.2597 20.2597 k = 0.2288 0.1321-0.0000 ( 1271 PWs) bands (ev): -9.1240 -9.1240 -7.0891 -7.0891 3.7102 3.7102 4.7175 4.7175 5.2074 5.2074 5.5515 5.5515 6.7219 6.7219 6.9564 6.9564 7.3623 7.3623 8.2036 8.2036 8.6219 8.6219 10.7792 10.7792 11.1755 11.1755 13.5057 13.5057 20.3367 20.3367 k = 0.2373 0.1370-0.0000 ( 1271 PWs) bands (ev): -9.0914 -9.0914 -7.1055 -7.1055 3.7575 3.7575 4.6871 4.6871 5.2043 5.2043 5.5375 5.5375 6.6961 6.6961 6.9119 6.9119 7.3329 7.3329 8.2038 8.2038 8.6419 8.6419 10.8181 10.8181 11.2020 11.2020 13.5947 13.5947 20.4061 20.4061 k = 0.2458 0.1419-0.0000 ( 1271 PWs) bands (ev): -9.0582 -9.0582 -7.1223 -7.1223 3.8035 3.8035 4.6424 4.6424 5.2024 5.2024 5.5405 5.5405 6.6706 6.6706 6.8674 6.8674 7.3050 7.3050 8.2049 8.2049 8.6632 8.6632 10.8563 10.8563 11.2256 11.2256 13.6825 13.6825 20.4643 20.4643 k = 0.2542 0.1468-0.0000 ( 1271 PWs) bands (ev): -9.0243 -9.0243 -7.1395 -7.1395 3.8482 3.8482 4.5848 4.5848 5.2048 5.2048 5.5561 5.5561 6.6453 6.6453 6.8233 6.8233 7.2786 7.2786 8.2071 8.2071 8.6858 8.6858 10.8939 10.8939 11.2463 11.2463 13.7690 13.7690 20.5060 20.5060 k = 0.2627 0.1517-0.0000 ( 1275 PWs) bands (ev): -8.9898 -8.9898 -7.1572 -7.1572 3.8911 3.8911 4.5172 4.5172 5.2124 5.2124 5.5807 5.5807 6.6201 6.6201 6.7802 6.7802 7.2535 7.2535 8.2102 8.2102 8.7094 8.7094 10.9308 10.9308 11.2640 11.2640 13.8545 13.8545 20.5245 20.5245 k = 0.2712 0.1566-0.0000 ( 1275 PWs) bands (ev): -8.9548 -8.9548 -7.1752 -7.1752 3.9318 3.9318 4.4429 4.4429 5.2243 5.2243 5.6118 5.6118 6.5949 6.5949 6.7388 6.7388 7.2297 7.2297 8.2142 8.2142 8.7340 8.7340 10.9668 10.9668 11.2786 11.2786 13.9388 13.9388 20.5125 20.5125 k = 0.2797 0.1615-0.0000 ( 1269 PWs) bands (ev): -8.9194 -8.9194 -7.1937 -7.1937 3.9699 3.9699 4.3652 4.3652 5.2394 5.2394 5.6476 5.6476 6.5694 6.5694 6.6998 6.6998 7.2072 7.2072 8.2191 8.2191 8.7595 8.7595 11.0019 11.0019 11.2902 11.2902 14.0222 14.0222 20.4651 20.4651 k = 0.2881 0.1664-0.0000 ( 1273 PWs) bands (ev): -8.8836 -8.8836 -7.2125 -7.2125 4.0037 4.0037 4.2875 4.2875 5.2563 5.2563 5.6868 5.6868 6.5434 6.5434 6.6641 6.6641 7.1861 7.1861 8.2247 8.2247 8.7858 8.7858 11.0360 11.0360 11.2988 11.2988 14.1046 14.1046 20.3818 20.3818 k = 0.2966 0.1712-0.0000 ( 1273 PWs) bands (ev): -8.8474 -8.8474 -7.2317 -7.2317 4.0287 4.0287 4.2158 4.2158 5.2743 5.2743 5.7279 5.7279 6.5169 6.5169 6.6328 6.6328 7.1663 7.1663 8.2311 8.2311 8.8126 8.8126 11.0690 11.0690 11.3044 11.3044 14.1863 14.1863 20.2673 20.2673 k = 0.3051 0.1761-0.0000 ( 1265 PWs) bands (ev): -8.8109 -8.8109 -7.2513 -7.2513 4.0287 4.0287 4.1676 4.1676 5.2925 5.2925 5.7694 5.7694 6.4900 6.4900 6.6067 6.6067 7.1480 7.1480 8.2381 8.2381 8.8400 8.8400 11.1008 11.1008 11.3072 11.3072 14.2673 14.2673 20.1287 20.1287 k = 0.3136 0.1810-0.0000 ( 1261 PWs) bands (ev): -8.7742 -8.7742 -7.2713 -7.2713 3.9843 3.9843 4.1631 4.1631 5.3105 5.3105 5.8096 5.8096 6.4635 6.4635 6.5863 6.5863 7.1312 7.1312 8.2456 8.2456 8.8676 8.8676 11.1313 11.1313 11.3072 11.3072 14.3479 14.3479 19.9731 19.9731 k = 0.3220 0.1859-0.0000 ( 1265 PWs) bands (ev): -8.7374 -8.7374 -7.2916 -7.2916 3.9159 3.9159 4.1823 4.1823 5.3280 5.3280 5.8462 5.8462 6.4387 6.4387 6.5721 6.5721 7.1161 7.1161 8.2536 8.2536 8.8953 8.8953 11.1601 11.1601 11.3050 11.3050 14.4280 14.4280 19.8058 19.8058 k = 0.3305 0.1908-0.0000 ( 1265 PWs) bands (ev): -8.7005 -8.7005 -7.3122 -7.3122 3.8418 3.8418 4.2078 4.2078 5.3447 5.3447 5.8768 5.8768 6.4167 6.4167 6.5647 6.5647 7.1030 7.1030 8.2620 8.2620 8.9230 8.9230 11.1866 11.1866 11.3009 11.3009 14.5080 14.5080 19.6310 19.6310 k = 0.3390 0.1957-0.0000 ( 1269 PWs) bands (ev): -8.6636 -8.6636 -7.3331 -7.3331 3.7674 3.7674 4.2346 4.2346 5.3605 5.3605 5.8992 5.8992 6.3982 6.3982 6.5651 6.5651 7.0923 7.0923 8.2706 8.2706 8.9505 8.9505 11.2096 11.2096 11.2966 11.2966 14.5880 14.5880 19.4517 19.4517 k = 0.3475 0.2006-0.0000 ( 1269 PWs) bands (ev): -8.6268 -8.6268 -7.3544 -7.3544 3.6944 3.6944 4.2612 4.2612 5.3754 5.3754 5.9116 5.9116 6.3832 6.3832 6.5741 6.5741 7.0844 7.0844 8.2793 8.2793 8.9775 8.9775 11.2259 11.2259 11.2954 11.2954 14.6682 14.6682 19.2699 19.2699 k = 0.3559 0.2055-0.0000 ( 1265 PWs) bands (ev): -8.5902 -8.5902 -7.3759 -7.3759 3.6237 3.6237 4.2872 4.2872 5.3893 5.3893 5.9137 5.9137 6.3710 6.3710 6.5916 6.5916 7.0800 7.0800 8.2879 8.2879 9.0040 9.0040 11.2304 11.2304 11.3024 11.3024 14.7488 14.7488 19.0871 19.0871 k = 0.3644 0.2104-0.0000 ( 1265 PWs) bands (ev): -8.5538 -8.5538 -7.3976 -7.3976 3.5558 3.5558 4.3123 4.3123 5.4023 5.4023 5.9066 5.9066 6.3605 6.3605 6.6162 6.6162 7.0801 7.0801 8.2964 8.2964 9.0297 9.0297 11.2236 11.2236 11.3173 11.3173 14.8300 14.8300 18.9045 18.9045 k = 0.3729 0.2153-0.0000 ( 1265 PWs) bands (ev): -8.5177 -8.5177 -7.4196 -7.4196 3.4910 3.4910 4.3365 4.3365 5.4143 5.4143 5.8920 5.8920 6.3510 6.3510 6.6454 6.6454 7.0858 7.0858 8.3046 8.3046 9.0544 9.0544 11.2101 11.2101 11.3358 11.3358 14.9119 14.9119 18.7230 18.7230 k = 0.3814 0.2202-0.0000 ( 1269 PWs) bands (ev): -8.4821 -8.4821 -7.4417 -7.4417 3.4295 3.4295 4.3597 4.3597 5.4255 5.4255 5.8720 5.8720 6.3421 6.3421 6.6758 6.6758 7.0984 7.0984 8.3124 8.3124 9.0779 9.0779 11.1930 11.1930 11.3551 11.3551 14.9949 14.9949 18.5432 18.5432 k = 0.3898 0.2251-0.0000 ( 1265 PWs) bands (ev): -8.4470 -8.4470 -7.4639 -7.4639 3.3717 3.3717 4.3818 4.3818 5.4358 5.4358 5.8484 5.8484 6.3337 6.3337 6.7040 6.7040 7.1191 7.1191 8.3195 8.3195 9.1002 9.1002 11.1738 11.1738 11.3740 11.3740 15.0792 15.0792 18.3658 18.3658 k = 0.3983 0.2300-0.0000 ( 1269 PWs) bands (ev): -8.4126 -8.4126 -7.4861 -7.4861 3.3175 3.3175 4.4029 4.4029 5.4455 5.4455 5.8225 5.8225 6.3256 6.3256 6.7278 6.7278 7.1483 7.1483 8.3259 8.3259 9.1210 9.1210 11.1532 11.1532 11.3919 11.3919 15.1650 15.1650 18.1912 18.1912 k = 0.4068 0.2349-0.0000 ( 1269 PWs) bands (ev): -8.3791 -8.3791 -7.5083 -7.5083 3.2672 3.2672 4.4229 4.4229 5.4545 5.4545 5.7955 5.7955 6.3181 6.3181 6.7461 6.7461 7.1853 7.1853 8.3315 8.3315 9.1401 9.1401 11.1320 11.1320 11.4088 11.4088 15.2524 15.2524 18.0198 18.0198 k = 0.4153 0.2397-0.0000 ( 1265 PWs) bands (ev): -8.3465 -8.3465 -7.5303 -7.5303 3.2209 3.2209 4.4417 4.4417 5.4630 5.4630 5.7681 5.7681 6.3111 6.3111 6.7591 6.7591 7.2286 7.2286 8.3361 8.3361 9.1576 9.1576 11.1105 11.1105 11.4244 11.4244 15.3419 15.3419 17.8519 17.8519 k = 0.4237 0.2446-0.0000 ( 1269 PWs) bands (ev): -8.3152 -8.3152 -7.5519 -7.5519 3.1787 3.1787 4.4592 4.4592 5.4710 5.4710 5.7411 5.7411 6.3047 6.3047 6.7677 6.7677 7.2759 7.2759 8.3396 8.3396 9.1733 9.1733 11.0892 11.0892 11.4387 11.4387 15.4335 15.4335 17.6878 17.6878 k = 0.4322 0.2495-0.0000 ( 1265 PWs) bands (ev): -8.2853 -8.2853 -7.5730 -7.5730 3.1408 3.1408 4.4754 4.4754 5.4788 5.4788 5.7149 5.7149 6.2990 6.2990 6.7729 6.7729 7.3249 7.3249 8.3420 8.3420 9.1871 9.1871 11.0687 11.0687 11.4516 11.4516 15.5275 15.5275 17.5277 17.5277 k = 0.4407 0.2544-0.0000 ( 1265 PWs) bands (ev): -8.2572 -8.2572 -7.5932 -7.5932 3.1070 3.1070 4.4902 4.4902 5.4864 5.4864 5.6897 5.6897 6.2938 6.2938 6.7759 6.7759 7.3735 7.3735 8.3434 8.3434 9.1991 9.1991 11.0494 11.0494 11.4630 11.4630 15.6242 15.6242 17.3718 17.3718 k = 0.4492 0.2593-0.0000 ( 1273 PWs) bands (ev): -8.2311 -8.2311 -7.6124 -7.6124 3.0777 3.0777 4.5033 4.5033 5.4941 5.4941 5.6661 5.6661 6.2894 6.2894 6.7773 6.7773 7.4199 7.4199 8.3438 8.3438 9.2092 9.2092 11.0316 11.0316 11.4730 11.4730 15.7237 15.7237 17.2202 17.2202 k = 0.4576 0.2642-0.0000 ( 1273 PWs) bands (ev): -8.2076 -8.2076 -7.6300 -7.6300 3.0527 3.0527 4.5147 4.5147 5.5018 5.5018 5.6441 5.6441 6.2856 6.2856 6.7778 6.7778 7.4624 7.4624 8.3433 8.3433 9.2176 9.2176 11.0158 11.0158 11.4814 11.4814 15.8262 15.8262 17.0731 17.0731 k = 0.4661 0.2691-0.0000 ( 1271 PWs) bands (ev): -8.1872 -8.1872 -7.6455 -7.6455 3.0322 3.0322 4.5243 4.5243 5.5098 5.5098 5.6239 5.6239 6.2825 6.2825 6.7777 6.7777 7.4995 7.4995 8.3423 8.3423 9.2242 9.2242 11.0024 11.0024 11.4884 11.4884 15.9318 15.9318 16.9306 16.9306 k = 0.4746 0.2740-0.0000 ( 1271 PWs) bands (ev): -8.1704 -8.1704 -7.6586 -7.6586 3.0162 3.0162 4.5319 4.5319 5.5181 5.5181 5.6059 5.6059 6.2802 6.2802 6.7774 6.7774 7.5299 7.5299 8.3410 8.3410 9.2293 9.2293 10.9916 10.9916 11.4938 11.4938 16.0405 16.0405 16.7930 16.7930 k = 0.4831 0.2789-0.0000 ( 1271 PWs) bands (ev): -8.1578 -8.1578 -7.6684 -7.6684 3.0048 3.0048 4.5374 4.5374 5.5265 5.5265 5.5904 5.5904 6.2784 6.2784 6.7771 6.7771 7.5525 7.5525 8.3397 8.3397 9.2328 9.2328 10.9837 10.9837 11.4977 11.4977 16.1518 16.1518 16.6610 16.6610 k = 0.4915 0.2838-0.0000 ( 1265 PWs) bands (ev): -8.1500 -8.1500 -7.6746 -7.6746 2.9979 2.9979 4.5408 4.5408 5.5341 5.5341 5.5785 5.5785 6.2774 6.2774 6.7768 6.7768 7.5665 7.5665 8.3388 8.3388 9.2349 9.2349 10.9789 10.9789 11.5000 11.5000 16.2628 16.2628 16.5375 16.5375 k = 0.5000 0.2887-0.0000 ( 1264 PWs) bands (ev): -8.1473 -8.1473 -7.6767 -7.6767 2.9957 2.9957 4.5419 4.5419 5.5377 5.5377 5.5734 5.5734 6.2771 6.2771 6.7767 6.7767 7.5712 7.5712 8.3384 8.3384 9.2356 9.2356 10.9773 10.9773 11.5008 11.5008 16.3383 16.3383 16.4579 16.4579 k = 0.5000 0.2887-0.0000 ( 1264 PWs) bands (ev): -8.1473 -8.1473 -7.6767 -7.6767 2.9957 2.9957 4.5419 4.5419 5.5377 5.5377 5.5734 5.5734 6.2771 6.2771 6.7767 6.7767 7.5712 7.5712 8.3384 8.3384 9.2356 9.2356 10.9773 10.9773 11.5008 11.5008 16.3383 16.3383 16.4579 16.4579 k = 0.4951 0.2972-0.0000 ( 1264 PWs) bands (ev): -8.1470 -8.1470 -7.6767 -7.6767 2.9964 2.9964 4.5429 4.5429 5.4792 5.4792 5.6309 5.6309 6.2625 6.2625 6.7932 6.7932 7.5678 7.5678 8.3415 8.3415 9.2355 9.2355 10.9765 10.9765 11.4984 11.4984 16.3414 16.3414 16.4574 16.4574 k = 0.4902 0.3057-0.0000 ( 1264 PWs) bands (ev): -8.1461 -8.1461 -7.6767 -7.6767 2.9988 2.9988 4.5456 4.5456 5.4063 5.4063 5.6999 5.6999 6.2249 6.2249 6.8375 6.8375 7.5577 7.5577 8.3503 8.3503 9.2354 9.2354 10.9739 10.9739 11.4911 11.4911 16.3507 16.3507 16.4562 16.4562 k = 0.4853 0.3141-0.0000 ( 1268 PWs) bands (ev): -8.1447 -8.1447 -7.6768 -7.6768 3.0028 3.0028 4.5500 4.5500 5.3336 5.3336 5.7619 5.7619 6.1782 6.1782 6.8994 6.8994 7.5415 7.5415 8.3644 8.3644 9.2351 9.2351 10.9697 10.9697 11.4792 11.4792 16.3661 16.3661 16.4541 16.4541 k = 0.4804 0.3226-0.0000 ( 1268 PWs) bands (ev): -8.1426 -8.1426 -7.6769 -7.6769 3.0083 3.0083 4.5557 4.5557 5.2624 5.2624 5.8063 5.8063 6.1398 6.1398 6.9712 6.9712 7.5202 7.5202 8.3832 8.3832 9.2348 9.2348 10.9638 10.9638 11.4626 11.4626 16.3875 16.3875 16.4514 16.4514 k = 0.4755 0.3311-0.0000 ( 1264 PWs) bands (ev): -8.1400 -8.1400 -7.6771 -7.6771 3.0154 3.0154 4.5625 4.5625 5.1933 5.1933 5.8159 5.8159 6.1311 6.1311 7.0479 7.0479 7.4949 7.4949 8.4057 8.4057 9.2345 9.2345 10.9562 10.9562 11.4415 11.4415 16.4142 16.4142 16.4486 16.4486 k = 0.4706 0.3396-0.0000 ( 1264 PWs) bands (ev): -8.1368 -8.1368 -7.6773 -7.6773 3.0240 3.0240 4.5695 4.5695 5.1271 5.1271 5.7839 5.7839 6.1611 6.1611 7.1265 7.1265 7.4668 7.4668 8.4311 8.4311 9.2343 9.2343 10.9468 10.9468 11.4161 11.4161 16.4370 16.4370 16.4548 16.4548 k = 0.4657 0.3481-0.0000 ( 1260 PWs) bands (ev): -8.1330 -8.1330 -7.6776 -7.6776 3.0341 3.0341 4.5758 4.5758 5.0648 5.0648 5.7254 5.7254 6.2162 6.2162 7.2045 7.2045 7.4379 7.4379 8.4588 8.4588 9.2344 9.2344 10.9358 10.9358 11.3866 11.3866 16.4355 16.4355 16.4902 16.4902 k = 0.4608 0.3566-0.0000 ( 1268 PWs) bands (ev): -8.1287 -8.1287 -7.6780 -7.6780 3.0458 3.0458 4.5798 4.5798 5.0075 5.0075 5.6552 5.6552 6.2822 6.2822 7.2774 7.2774 7.4125 7.4125 8.4882 8.4882 9.2348 9.2348 10.9230 10.9230 11.3533 11.3533 16.4302 16.4302 16.5344 16.5344 k = 0.4559 0.3651-0.0000 ( 1276 PWs) bands (ev): -8.1237 -8.1237 -7.6785 -7.6785 3.0589 3.0589 4.5796 4.5796 4.9569 4.9569 5.5809 5.5809 6.3520 6.3520 7.3248 7.3248 7.4114 7.4114 8.5187 8.5187 9.2358 9.2358 10.9085 10.9085 11.3164 11.3164 16.4238 16.4238 16.5843 16.5843 k = 0.4510 0.3736-0.0000 ( 1276 PWs) bands (ev): -8.1183 -8.1183 -7.6792 -7.6792 3.0734 3.0734 4.5724 4.5724 4.9149 4.9149 5.5065 5.5065 6.4216 6.4216 7.3191 7.3191 7.4631 7.4631 8.5499 8.5499 9.2374 9.2374 10.8922 10.8922 11.2763 11.2763 16.4169 16.4169 16.6395 16.6395 k = 0.4461 0.3821-0.0000 ( 1276 PWs) bands (ev): -8.1122 -8.1122 -7.6800 -7.6800 3.0894 3.0894 4.5562 4.5562 4.8823 4.8823 5.4350 5.4350 6.4882 6.4882 7.2975 7.2975 7.5313 7.5313 8.5817 8.5817 9.2399 9.2399 10.8741 10.8741 11.2333 11.2333 16.4095 16.4095 16.6997 16.6997 k = 0.4412 0.3906-0.0000 ( 1270 PWs) bands (ev): -8.1056 -8.1056 -7.6811 -7.6811 3.1068 3.1068 4.5301 4.5301 4.8581 4.8581 5.3694 5.3694 6.5492 6.5492 7.2779 7.2779 7.6001 7.6001 8.6137 8.6137 9.2435 9.2435 10.8542 10.8542 11.1878 11.1878 16.4018 16.4018 16.7647 16.7647 k = 0.4363 0.3991-0.0000 ( 1270 PWs) bands (ev): -8.0985 -8.0985 -7.6824 -7.6824 3.1255 3.1255 4.4955 4.4955 4.8380 4.8380 5.3129 5.3129 6.6013 6.6013 7.2656 7.2656 7.6664 7.6664 8.6458 8.6458 9.2483 9.2483 10.8324 10.8324 11.1402 11.1402 16.3937 16.3937 16.8343 16.8343 k = 0.4314 0.4075-0.0000 ( 1262 PWs) bands (ev): -8.0909 -8.0909 -7.6840 -7.6840 3.1455 3.1455 4.4551 4.4551 4.8160 4.8160 5.2696 5.2696 6.6412 6.6412 7.2645 7.2645 7.7291 7.7291 8.6781 8.6781 9.2545 9.2545 10.8087 10.8087 11.0908 11.0908 16.3855 16.3855 16.9082 16.9082 k = 0.4265 0.4160-0.0000 ( 1262 PWs) bands (ev): -8.0827 -8.0827 -7.6859 -7.6859 3.1668 3.1668 4.4111 4.4111 4.7865 4.7865 5.2427 5.2427 6.6662 6.6662 7.2773 7.2773 7.7874 7.7874 8.7104 8.7104 9.2624 9.2624 10.7830 10.7830 11.0403 11.0403 16.3773 16.3773 16.9862 16.9862 k = 0.4216 0.4245-0.0000 ( 1262 PWs) bands (ev): -8.0740 -8.0740 -7.6882 -7.6882 3.1893 3.1893 4.3654 4.3654 4.7470 4.7470 5.2334 5.2334 6.6754 6.6754 7.3048 7.3048 7.8409 7.8409 8.7427 8.7427 9.2720 9.2720 10.7550 10.7550 10.9890 10.9890 16.3690 16.3690 17.0681 17.0681 k = 0.4167 0.4330-0.0000 ( 1258 PWs) bands (ev): -8.0648 -8.0648 -7.6908 -7.6908 3.2129 3.2129 4.3194 4.3194 4.6979 4.6979 5.2399 5.2399 6.6703 6.6703 7.3456 7.3456 7.8893 7.8893 8.7752 8.7752 9.2835 9.2835 10.7248 10.7248 10.9377 10.9377 16.3610 16.3610 17.1537 17.1537 k = 0.4118 0.4415-0.0000 ( 1258 PWs) bands (ev): -8.0551 -8.0551 -7.6939 -7.6939 3.2377 3.2377 4.2738 4.2738 4.6418 4.6418 5.2588 5.2589 6.6539 6.6539 7.3966 7.3966 7.9322 7.9322 8.8077 8.8077 9.2970 9.2970 10.6921 10.6921 10.8868 10.8868 16.3532 16.3532 17.2428 17.2428 k = 0.4069 0.4500-0.0000 ( 1256 PWs) bands (ev): -8.0449 -8.0449 -7.6975 -7.6975 3.2635 3.2635 4.2293 4.2293 4.5815 4.5815 5.2870 5.2870 6.6291 6.6291 7.4543 7.4543 7.9697 7.9697 8.8403 8.8403 9.3125 9.3125 10.6567 10.6567 10.8370 10.8370 16.3458 16.3458 17.3352 17.3352 k = 0.4020 0.4585-0.0000 ( 1256 PWs) bands (ev): -8.0342 -8.0342 -7.7016 -7.7016 3.2902 3.2902 4.1862 4.1862 4.5192 4.5192 5.3218 5.3218 6.5987 6.5987 7.5160 7.5160 8.0017 8.0017 8.8729 8.8729 9.3300 9.3300 10.6188 10.6188 10.7890 10.7890 16.3388 16.3388 17.4307 17.4307 k = 0.3971 0.4670-0.0000 ( 1256 PWs) bands (ev): -8.0231 -8.0231 -7.7063 -7.7063 3.3179 3.3179 4.1449 4.1449 4.4564 4.4564 5.3614 5.3614 6.5646 6.5646 7.5795 7.5795 8.0284 8.0284 8.9053 8.9053 9.3492 9.3492 10.5784 10.5784 10.7429 10.7429 16.3324 16.3324 17.5289 17.5289 k = 0.3922 0.4755-0.0000 ( 1256 PWs) bands (ev): -8.0115 -8.0115 -7.7116 -7.7116 3.3464 3.3464 4.1054 4.1054 4.3941 4.3941 5.4044 5.4044 6.5283 6.5283 7.6428 7.6428 8.0502 8.0502 8.9374 8.9374 9.3701 9.3701 10.5361 10.5361 10.6991 10.6991 16.3266 16.3266 17.6297 17.6297 k = 0.3873 0.4840-0.0000 ( 1252 PWs) bands (ev): -7.9995 -7.9995 -7.7175 -7.7175 3.3755 3.3755 4.0680 4.0680 4.3333 4.3333 5.4496 5.4496 6.4908 6.4908 7.7048 7.7048 8.0675 8.0675 8.9690 8.9690 9.3923 9.3923 10.4926 10.4926 10.6574 10.6574 16.3216 16.3216 17.7328 17.7328 k = 0.3824 0.4924-0.0000 ( 1248 PWs) bands (ev): -7.9870 -7.9870 -7.7241 -7.7241 3.4052 3.4052 4.0329 4.0329 4.2745 4.2745 5.4961 5.4961 6.4528 6.4528 7.7640 7.7640 8.0809 8.0809 9.0000 9.0000 9.4153 9.4153 10.4490 10.4490 10.6177 10.6177 16.3174 16.3174 17.8379 17.8379 k = 0.3775 0.5009-0.0000 ( 1248 PWs) bands (ev): -7.9742 -7.9742 -7.7315 -7.7315 3.4352 3.4352 4.0001 4.0001 4.2182 4.2182 5.5432 5.5432 6.4151 6.4151 7.8196 7.8196 8.0910 8.0910 9.0301 9.0301 9.4387 9.4387 10.4063 10.4063 10.5797 10.5797 16.3141 16.3141 17.9445 17.9445 k = 0.3725 0.5094-0.0000 ( 1248 PWs) bands (ev): -7.9609 -7.9609 -7.7396 -7.7396 3.4654 3.4654 3.9698 3.9698 4.1648 4.1648 5.5900 5.5900 6.3783 6.3783 7.8703 7.8703 8.0987 8.0987 9.0591 9.0591 9.4619 9.4619 10.3657 10.3657 10.5434 10.5434 16.3116 16.3116 18.0521 18.0521 k = 0.3676 0.5179-0.0000 ( 1248 PWs) bands (ev): -7.9473 -7.9473 -7.7486 -7.7486 3.4953 3.4953 3.9422 3.9422 4.1148 4.1148 5.6356 5.6356 6.3430 6.3430 7.9152 7.9152 8.1047 8.1047 9.0868 9.0868 9.4842 9.4842 10.3282 10.3282 10.5089 10.5089 16.3100 16.3100 18.1602 18.1602 k = 0.3627 0.5264-0.0000 ( 1244 PWs) bands (ev): -7.9334 -7.9334 -7.7583 -7.7583 3.5246 3.5246 3.9176 3.9176 4.0685 4.0685 5.6790 5.6790 6.3097 6.3097 7.9533 7.9533 8.1100 8.1100 9.1128 9.1128 9.5050 9.5050 10.2948 10.2948 10.4763 10.4763 16.3092 16.3092 18.2677 18.2677 k = 0.3578 0.5349-0.0000 ( 1240 PWs) bands (ev): -7.9191 -7.9191 -7.7689 -7.7689 3.5525 3.5525 3.8964 3.8964 4.0262 4.0262 5.7191 5.7191 6.2794 6.2794 7.9837 7.9837 8.1156 8.1156 9.1367 9.1367 9.5235 9.5235 10.2665 10.2665 10.4460 10.4460 16.3092 16.3092 18.3732 18.3732 k = 0.3529 0.5434-0.0000 ( 1240 PWs) bands (ev): -7.9046 -7.9046 -7.7803 -7.7803 3.5781 3.5781 3.8794 3.8794 3.9885 3.9885 5.7546 5.7546 6.2529 6.2529 8.0060 8.0060 8.1218 8.1218 9.1578 9.1578 9.5391 9.5391 10.2440 10.2440 10.4187 10.4187 16.3099 16.3099 18.4743 18.4743 k = 0.3480 0.5519-0.0000 ( 1240 PWs) bands (ev): -7.8900 -7.8900 -7.7925 -7.7925 3.6000 3.6000 3.8676 3.8676 3.9557 3.9557 5.7841 5.7841 6.2312 6.2312 8.0208 8.0208 8.1284 8.1284 9.1754 9.1754 9.5513 9.5513 10.2277 10.2277 10.3952 10.3952 16.3109 16.3109 18.5672 18.5672 k = 0.3431 0.5604-0.0000 ( 1240 PWs) bands (ev): -7.8756 -7.8756 -7.8050 -7.8050 3.6165 3.6165 3.8623 3.8623 3.9282 3.9282 5.8060 5.8060 6.2154 6.2154 8.0295 8.0295 8.1344 8.1344 9.1888 9.1888 9.5600 9.5600 10.2175 10.2175 10.3765 10.3765 16.3122 16.3122 18.6456 18.6456 k = 0.3382 0.5689-0.0000 ( 1242 PWs) bands (ev): -7.8626 -7.8626 -7.8170 -7.8170 3.6263 3.6263 3.8636 3.8636 3.9072 3.9072 5.8192 5.8192 6.2061 6.2061 8.0338 8.0338 8.1384 8.1384 9.1973 9.1973 9.5650 9.5650 10.2124 10.2124 10.3640 10.3640 16.3133 16.3133 18.6997 18.6997 k = 0.3333 0.5774-0.0000 ( 1236 PWs) bands (ev): -7.8558 -7.8558 -7.8234 -7.8234 3.6294 3.6294 3.8669 3.8669 3.8976 3.8976 5.8235 5.8235 6.2033 6.2033 8.0351 8.0351 8.1397 8.1397 9.2003 9.2003 9.5666 9.5666 10.2112 10.2112 10.3595 10.3595 16.3138 16.3138 18.7191 18.7191 k = 0.3333 0.5774-0.0000 ( 1236 PWs) bands (ev): -7.8558 -7.8558 -7.8234 -7.8234 3.6294 3.6294 3.8669 3.8669 3.8976 3.8976 5.8235 5.8235 6.2033 6.2033 8.0351 8.0351 8.1397 8.1397 9.2003 9.2003 9.5666 9.5666 10.2112 10.2112 10.3595 10.3595 16.3138 16.3138 18.7191 18.7191 k = 0.3284 0.5689-0.0000 ( 1240 PWs) bands (ev): -7.8630 -7.8630 -7.8165 -7.8165 3.6270 3.6270 3.8623 3.8623 3.9079 3.9079 5.8196 5.8196 6.2056 6.2056 8.0338 8.0338 8.1386 8.1386 9.1973 9.1973 9.5651 9.5651 10.2119 10.2119 10.3644 10.3644 16.3131 16.3131 18.7008 18.7008 k = 0.3235 0.5604-0.0000 ( 1240 PWs) bands (ev): -7.8781 -7.8781 -7.8027 -7.8027 3.6212 3.6212 3.8552 3.8552 3.9305 3.9305 5.8091 5.8091 6.2111 6.2111 8.0294 8.0294 8.1362 8.1362 9.1882 9.1882 9.5609 9.5609 10.2133 10.2133 10.3794 10.3794 16.3105 16.3105 18.6531 18.6531 k = 0.3186 0.5519-0.0000 ( 1242 PWs) bands (ev): -7.8959 -7.8959 -7.7868 -7.7868 3.6140 3.6140 3.8506 3.8506 3.9586 3.9586 5.7938 5.7938 6.2179 6.2179 8.0206 8.0206 8.1344 8.1344 9.1733 9.1733 9.5542 9.5542 10.2149 10.2149 10.4040 10.4040 16.3054 16.3054 18.5896 18.5896 k = 0.3137 0.5434-0.0000 ( 1246 PWs) bands (ev): -7.9154 -7.9154 -7.7701 -7.7701 3.6069 3.6069 3.8491 3.8491 3.9898 3.9898 5.7753 5.7753 6.2239 6.2239 8.0064 8.0064 8.1349 8.1349 9.1530 9.1530 9.5454 9.5454 10.2171 10.2171 10.4367 10.4367 16.2966 16.2966 18.5210 18.5210 k = 0.3088 0.5349-0.0000 ( 1242 PWs) bands (ev): -7.9362 -7.9362 -7.7530 -7.7530 3.6010 3.6010 3.8510 3.8510 4.0229 4.0229 5.7547 5.7547 6.2280 6.2280 7.9861 7.9861 8.1388 8.1388 9.1278 9.1278 9.5350 9.5350 10.2199 10.2199 10.4760 10.4760 16.2834 16.2834 18.4547 18.4547 k = 0.3039 0.5264-0.0000 ( 1246 PWs) bands (ev): -7.9582 -7.9582 -7.7355 -7.7355 3.5970 3.5970 3.8560 3.8560 4.0572 4.0572 5.7330 5.7330 6.2290 6.2290 7.9603 7.9603 8.1459 8.1459 9.0983 9.0983 9.5232 9.5232 10.2235 10.2235 10.5204 10.5204 16.2648 16.2648 18.3954 18.3954 k = 0.2990 0.5179-0.0000 ( 1250 PWs) bands (ev): -7.9814 -7.9814 -7.7177 -7.7177 3.5954 3.5954 3.8642 3.8642 4.0920 4.0920 5.7108 5.7108 6.2264 6.2264 7.9298 7.9298 8.1557 8.1557 9.0653 9.0653 9.5104 9.5104 10.2276 10.2276 10.5688 10.5688 16.2398 16.2398 18.3464 18.3464 k = 0.2941 0.5094-0.0000 ( 1250 PWs) bands (ev): -8.0057 -8.0057 -7.6996 -7.6996 3.5965 3.5965 3.8754 3.8754 4.1272 4.1272 5.6885 5.6885 6.2199 6.2199 7.8955 7.8955 8.1673 8.1673 9.0295 9.0295 9.4970 9.4970 10.2322 10.2322 10.6201 10.6201 16.2078 16.2078 18.3098 18.3098 k = 0.2892 0.5009-0.0000 ( 1250 PWs) bands (ev): -8.0310 -8.0310 -7.6814 -7.6814 3.6005 3.6005 3.8895 3.8895 4.1624 4.1624 5.6664 5.6664 6.2094 6.2094 7.8583 7.8583 8.1798 8.1798 8.9917 8.9917 9.4831 9.4831 10.2369 10.2369 10.6735 10.6735 16.1684 16.1684 18.2869 18.2869 k = 0.2843 0.4924-0.0000 ( 1256 PWs) bands (ev): -8.0574 -8.0574 -7.6629 -7.6629 3.6076 3.6076 3.9064 3.9064 4.1973 4.1973 5.6448 5.6448 6.1949 6.1949 7.8188 7.8188 8.1922 8.1922 8.9528 8.9528 9.4689 9.4689 10.2414 10.2414 10.7282 10.7282 16.1216 16.1216 18.2787 18.2787 k = 0.2794 0.4840-0.0000 ( 1256 PWs) bands (ev): -8.0848 -8.0848 -7.6443 -7.6443 3.6178 3.6178 3.9262 3.9262 4.2318 4.2318 5.6238 5.6238 6.1766 6.1766 7.7778 7.7778 8.2034 8.2034 8.9138 8.9138 9.4545 9.4545 10.2456 10.2456 10.7837 10.7837 16.0676 16.0676 18.2852 18.2852 k = 0.2745 0.4755-0.0000 ( 1256 PWs) bands (ev): -8.1132 -8.1132 -7.6255 -7.6255 3.6312 3.6312 3.9486 3.9486 4.2657 4.2657 5.6035 5.6035 6.1547 6.1547 7.7356 7.7356 8.2123 8.2123 8.8756 8.8756 9.4400 9.4400 10.2493 10.2493 10.8394 10.8394 16.0071 16.0071 18.3062 18.3062 k = 0.2696 0.4670-0.0000 ( 1264 PWs) bands (ev): -8.1425 -8.1425 -7.6066 -7.6066 3.6477 3.6477 3.9737 3.9737 4.2988 4.2988 5.5840 5.5840 6.1296 6.1296 7.6927 7.6927 8.2176 8.2176 8.8394 8.8394 9.4253 9.4253 10.2523 10.2523 10.8948 10.8948 15.9406 15.9406 18.3413 18.3413 k = 0.2647 0.4585-0.0000 ( 1260 PWs) bands (ev): -8.1727 -8.1727 -7.5875 -7.5875 3.6673 3.6673 4.0013 4.0013 4.3311 4.3311 5.5653 5.5653 6.1015 6.1015 7.6496 7.6496 8.2183 8.2183 8.8064 8.8064 9.4105 9.4105 10.2546 10.2546 10.9494 10.9494 15.8694 15.8694 18.3896 18.3896 k = 0.2598 0.4500-0.0000 ( 1260 PWs) bands (ev): -8.2037 -8.2037 -7.5684 -7.5684 3.6899 3.6899 4.0313 4.0313 4.3624 4.3624 5.5473 5.5473 6.0709 6.0709 7.6067 7.6067 8.2130 8.2130 8.7775 8.7775 9.3955 9.3955 10.2562 10.2562 11.0031 11.0031 15.7940 15.7940 18.4504 18.4504 k = 0.2549 0.4415-0.0000 ( 1256 PWs) bands (ev): -8.2356 -8.2356 -7.5491 -7.5491 3.7153 3.7153 4.0637 4.0637 4.3926 4.3926 5.5303 5.5303 6.0380 6.0380 7.5642 7.5642 8.2012 8.2012 8.7536 8.7536 9.3802 9.3802 10.2571 10.2571 11.0553 11.0553 15.7155 15.7155 18.5227 18.5227 k = 0.2500 0.4330-0.0000 ( 1256 PWs) bands (ev): -8.2682 -8.2682 -7.5298 -7.5298 3.7434 3.7434 4.0983 4.0983 4.4217 4.4217 5.5140 5.5140 6.0034 6.0034 7.5225 7.5225 8.1824 8.1824 8.7348 8.7348 9.3647 9.3647 10.2573 10.2573 11.1059 11.1059 15.6347 15.6347 18.6058 18.6058 k = 0.2451 0.4245-0.0000 ( 1252 PWs) bands (ev): -8.3015 -8.3015 -7.5105 -7.5105 3.7740 3.7740 4.1349 4.1349 4.4498 4.4498 5.4985 5.4985 5.9674 5.9674 7.4818 7.4818 8.1571 8.1571 8.7210 8.7210 9.3488 9.3488 10.2568 10.2568 11.1546 11.1546 15.5521 15.5521 18.6987 18.6987 k = 0.2402 0.4160-0.0000 ( 1252 PWs) bands (ev): -8.3354 -8.3354 -7.4910 -7.4910 3.8068 3.8068 4.1733 4.1733 4.4768 4.4768 5.4837 5.4837 5.9304 5.9304 7.4423 7.4423 8.1261 8.1261 8.7113 8.7113 9.3325 9.3325 10.2557 10.2557 11.2010 11.2010 15.4682 15.4682 18.8008 18.8008 k = 0.2353 0.4075-0.0000 ( 1252 PWs) bands (ev): -8.3699 -8.3699 -7.4716 -7.4716 3.8413 3.8413 4.2134 4.2134 4.5031 4.5031 5.4696 5.4696 5.8928 5.8928 7.4043 7.4043 8.0905 8.0905 8.7047 8.7047 9.3157 9.3157 10.2541 10.2541 11.2451 11.2451 15.3836 15.3836 18.9114 18.9114 k = 0.2304 0.3991-0.0000 ( 1248 PWs) bands (ev): -8.4050 -8.4050 -7.4521 -7.4521 3.8770 3.8770 4.2548 4.2548 4.5288 4.5288 5.4563 5.4563 5.8549 5.8549 7.3680 7.3680 8.0515 8.0515 8.7002 8.7002 9.2985 9.2985 10.2520 10.2520 11.2867 11.2867 15.2985 15.2985 19.0296 19.0296 k = 0.2255 0.3906-0.0000 ( 1248 PWs) bands (ev): -8.4406 -8.4406 -7.4327 -7.4327 3.9134 3.9134 4.2972 4.2972 4.5547 4.5547 5.4436 5.4436 5.8173 5.8173 7.3334 7.3334 8.0103 8.0103 8.6968 8.6968 9.2807 9.2807 10.2495 10.2495 11.3254 11.3254 15.2132 15.2132 19.1550 19.1550 k = 0.2206 0.3821-0.0000 ( 1248 PWs) bands (ev): -8.4765 -8.4765 -7.4133 -7.4133 3.9495 3.9495 4.3402 4.3402 4.5812 4.5812 5.4315 5.4315 5.7803 5.7803 7.3009 7.3009 7.9678 7.9678 8.6939 8.6939 9.2623 9.2623 10.2467 10.2467 11.3613 11.3613 15.1277 15.1277 19.2867 19.2867 k = 0.2157 0.3736-0.0000 ( 1252 PWs) bands (ev): -8.5128 -8.5128 -7.3939 -7.3939 3.9844 3.9844 4.3834 4.3834 4.6093 4.6093 5.4203 5.4203 5.7442 5.7442 7.2705 7.2705 7.9250 7.9250 8.6906 8.6906 9.2434 9.2434 10.2437 10.2437 11.3941 11.3941 15.0423 15.0423 19.4241 19.4241 k = 0.2108 0.3651-0.0000 ( 1252 PWs) bands (ev): -8.5494 -8.5494 -7.3746 -7.3746 4.0167 4.0167 4.4266 4.4266 4.6398 4.6398 5.4099 5.4099 5.7095 5.7095 7.2423 7.2423 7.8826 7.8826 8.6867 8.6867 9.2240 9.2240 10.2405 10.2405 11.4236 11.4236 14.9570 14.9570 19.5663 19.5663 k = 0.2059 0.3566-0.0000 ( 1256 PWs) bands (ev): -8.5863 -8.5863 -7.3553 -7.3553 4.0450 4.0450 4.4696 4.4696 4.6735 4.6735 5.4007 5.4007 5.6764 5.6764 7.2164 7.2164 7.8411 7.8411 8.6817 8.6817 9.2040 9.2040 10.2371 10.2371 11.4499 11.4499 14.8716 14.8716 19.7125 19.7125 k = 0.2010 0.3481-0.0000 ( 1256 PWs) bands (ev): -8.6233 -8.6233 -7.3362 -7.3362 4.0679 4.0679 4.5129 4.5129 4.7109 4.7109 5.3930 5.3930 5.6452 5.6452 7.1928 7.1928 7.8011 7.8011 8.6756 8.6756 9.1836 9.1836 10.2336 10.2336 11.4728 11.4728 14.7863 14.7863 19.8616 19.8616 k = 0.1961 0.3396-0.0000 ( 1258 PWs) bands (ev): -8.6603 -8.6603 -7.3171 -7.3171 4.0840 4.0840 4.5567 4.5567 4.7517 4.7517 5.3876 5.3876 5.6163 5.6163 7.1718 7.1718 7.7631 7.7631 8.6681 8.6681 9.1628 9.1628 10.2301 10.2301 11.4921 11.4921 14.7009 14.7009 20.0120 20.0120 k = 0.1912 0.3311-0.0000 ( 1258 PWs) bands (ev): -8.6974 -8.6974 -7.2982 -7.2982 4.0924 4.0924 4.6014 4.6014 4.7956 4.7956 5.3851 5.3851 5.5896 5.5896 7.1532 7.1532 7.7272 7.7272 8.6592 8.6592 9.1416 9.1416 10.2265 10.2265 11.5078 11.5078 14.6153 14.6153 20.1618 20.1618 k = 0.1863 0.3226-0.0000 ( 1258 PWs) bands (ev): -8.7345 -8.7345 -7.2794 -7.2794 4.0928 4.0928 4.6466 4.6466 4.8417 4.8417 5.3868 5.3868 5.5657 5.5657 7.1371 7.1371 7.6939 7.6939 8.6489 8.6489 9.1201 9.1201 10.2229 10.2229 11.5198 11.5198 14.5295 14.5295 20.3079 20.3079 k = 0.1814 0.3141-0.0000 ( 1256 PWs) bands (ev): -8.7715 -8.7715 -7.2608 -7.2608 4.0853 4.0853 4.6911 4.6911 4.8898 4.8898 5.3934 5.3934 5.5448 5.5448 7.1236 7.1236 7.6633 7.6633 8.6372 8.6372 9.0985 9.0985 10.2193 10.2193 11.5281 11.5281 14.4433 14.4433 20.4457 20.4457 k = 0.1765 0.3057-0.0000 ( 1262 PWs) bands (ev): -8.8083 -8.8083 -7.2424 -7.2424 4.0704 4.0704 4.7327 4.7327 4.9397 4.9397 5.4053 5.4053 5.5283 5.5283 7.1126 7.1126 7.6357 7.6357 8.6243 8.6243 9.0767 9.0767 10.2156 10.2156 11.5326 11.5326 14.3567 14.3567 20.5680 20.5680 k = 0.1716 0.2972-0.0000 ( 1263 PWs) bands (ev): -8.8449 -8.8449 -7.2241 -7.2241 4.0489 4.0489 4.7688 4.7688 4.9920 4.9920 5.4205 5.4205 5.5197 5.5197 7.1041 7.1041 7.6110 7.6110 8.6101 8.6101 9.0548 9.0548 10.2120 10.2120 11.5332 11.5332 14.2695 14.2695 20.6649 20.6649 k = 0.1667 0.2887-0.0000 ( 1271 PWs) bands (ev): -8.8812 -8.8812 -7.2061 -7.2061 4.0215 4.0215 4.7971 4.7971 5.0472 5.0472 5.4322 5.4322 5.5267 5.5267 7.0981 7.0981 7.5895 7.5895 8.5948 8.5948 9.0330 9.0330 10.2083 10.2083 11.5299 11.5299 14.1817 14.1817 20.7255 20.7255 k = 0.1618 0.2802-0.0000 ( 1267 PWs) bands (ev): -8.9171 -8.9171 -7.1883 -7.1883 3.9891 3.9891 4.8165 4.8165 5.1046 5.1046 5.4353 5.4353 5.5553 5.5553 7.0945 7.0945 7.5710 7.5710 8.5786 8.5786 9.0112 9.0112 10.2046 10.2046 11.5227 11.5227 14.0931 14.0931 20.7451 20.7451 k = 0.1569 0.2717-0.0000 ( 1267 PWs) bands (ev): -8.9527 -8.9527 -7.1708 -7.1708 3.9523 3.9523 4.8274 4.8274 5.1614 5.1614 5.4357 5.4357 5.6013 5.6013 7.0934 7.0934 7.5556 7.5556 8.5616 8.5616 8.9896 8.9896 10.2008 10.2008 11.5116 11.5116 14.0037 14.0037 20.7280 20.7280 k = 0.1520 0.2632-0.0000 ( 1269 PWs) bands (ev): -8.9878 -8.9878 -7.1536 -7.1536 3.9119 3.9119 4.8312 4.8312 5.2118 5.2118 5.4435 5.4435 5.6588 5.6588 7.0947 7.0947 7.5433 7.5433 8.5440 8.5440 8.9681 8.9681 10.1970 10.1970 11.4966 11.4966 13.9135 13.9135 20.6839 20.6839 k = 0.1471 0.2547-0.0000 ( 1277 PWs) bands (ev): -9.0224 -9.0224 -7.1366 -7.1366 3.8685 3.8685 4.8291 4.8291 5.2466 5.2466 5.4689 5.4689 5.7243 5.7243 7.0983 7.0983 7.5340 7.5340 8.5258 8.5258 8.9469 8.9469 10.1931 10.1931 11.4776 11.4776 13.8223 13.8223 20.6219 20.6219 k = 0.1422 0.2462-0.0000 ( 1277 PWs) bands (ev): -9.0563 -9.0563 -7.1200 -7.1200 3.8227 3.8227 4.8228 4.8228 5.2612 5.2612 5.5165 5.5165 5.7959 5.7959 7.1043 7.1043 7.5275 7.5275 8.5074 8.5074 8.9259 8.9259 10.1892 10.1892 11.4548 11.4548 13.7301 13.7301 20.5483 20.5483 k = 0.1373 0.2377-0.0000 ( 1275 PWs) bands (ev): -9.0897 -9.0897 -7.1037 -7.1037 3.7750 3.7750 4.8132 4.8132 5.2605 5.2605 5.5814 5.5814 5.8724 5.8724 7.1125 7.1125 7.5238 7.5238 8.4888 8.4888 8.9051 8.9051 10.1852 10.1852 11.4282 11.4282 13.6370 13.6370 20.4674 20.4674 k = 0.1324 0.2292-0.0000 ( 1271 PWs) bands (ev): -9.1224 -9.1224 -7.0878 -7.0878 3.7259 3.7259 4.8013 4.8013 5.2512 5.2512 5.6562 5.6562 5.9526 5.9526 7.1230 7.1230 7.5229 7.5229 8.4703 8.4703 8.8847 8.8847 10.1810 10.1810 11.3978 11.3978 13.5430 13.5430 20.3818 20.3818 k = 0.1275 0.2208-0.0000 ( 1271 PWs) bands (ev): -9.1543 -9.1543 -7.0722 -7.0722 3.6758 3.6758 4.7877 4.7877 5.2375 5.2375 5.7364 5.7364 6.0359 6.0359 7.1357 7.1357 7.5246 7.5246 8.4520 8.4520 8.8645 8.8645 10.1768 10.1768 11.3636 11.3636 13.4480 13.4480 20.2934 20.2934 k = 0.1225 0.2123-0.0000 ( 1271 PWs) bands (ev): -9.1855 -9.1855 -7.0570 -7.0570 3.6251 3.6251 4.7729 4.7729 5.2214 5.2214 5.8196 5.8196 6.1216 6.1216 7.1506 7.1506 7.5289 7.5289 8.4341 8.4341 8.8446 8.8446 10.1724 10.1724 11.3259 11.3259 13.3521 13.3521 20.2034 20.2034 k = 0.1176 0.2038-0.0000 ( 1273 PWs) bands (ev): -9.2158 -9.2158 -7.0423 -7.0423 3.5742 3.5742 4.7573 4.7573 5.2039 5.2039 5.9043 5.9043 6.2091 6.2091 7.1677 7.1677 7.5357 7.5357 8.4167 8.4167 8.8250 8.8250 10.1678 10.1678 11.2845 11.2845 13.2554 13.2554 20.1129 20.1129 k = 0.1127 0.1953-0.0000 ( 1273 PWs) bands (ev): -9.2452 -9.2452 -7.0280 -7.0280 3.5234 3.5234 4.7412 4.7412 5.1857 5.1857 5.9894 5.9894 6.2980 6.2980 7.1871 7.1871 7.5451 7.5451 8.4001 8.4001 8.8057 8.8057 10.1630 10.1630 11.2397 11.2397 13.1581 13.1581 20.0226 20.0226 k = 0.1078 0.1868-0.0000 ( 1273 PWs) bands (ev): -9.2738 -9.2738 -7.0141 -7.0141 3.4729 3.4729 4.7249 4.7249 5.1671 5.1671 6.0743 6.0743 6.3875 6.3875 7.2088 7.2088 7.5572 7.5572 8.3844 8.3844 8.7867 8.7867 10.1580 10.1580 11.1916 11.1916 13.0601 13.0601 19.9331 19.9331 k = 0.1029 0.1783-0.0000 ( 1277 PWs) bands (ev): -9.3013 -9.3013 -7.0007 -7.0007 3.4232 3.4232 4.7084 4.7084 5.1485 5.1485 6.1581 6.1581 6.4772 6.4772 7.2331 7.2331 7.5720 7.5720 8.3697 8.3697 8.7681 8.7681 10.1528 10.1528 11.1402 11.1402 12.9617 12.9617 19.8449 19.8449 k = 0.0980 0.1698-0.0000 ( 1285 PWs) bands (ev): -9.3279 -9.3279 -6.9878 -6.9878 3.3743 3.3743 4.6920 4.6920 5.1301 5.1301 6.2402 6.2402 6.5661 6.5661 7.2602 7.2602 7.5896 7.5896 8.3562 8.3562 8.7498 8.7498 10.1472 10.1472 11.0858 11.0858 12.8630 12.8630 19.7585 19.7585 k = 0.0931 0.1613-0.0000 ( 1285 PWs) bands (ev): -9.3534 -9.3534 -6.9754 -6.9754 3.3266 3.3266 4.6759 4.6759 5.1119 5.1119 6.3199 6.3199 6.6535 6.6535 7.2905 7.2905 7.6105 7.6105 8.3441 8.3441 8.7318 8.7318 10.1412 10.1412 11.0286 11.0286 12.7644 12.7644 19.6742 19.6742 k = 0.0882 0.1528-0.0000 ( 1287 PWs) bands (ev): -9.3778 -9.3778 -6.9635 -6.9635 3.2802 3.2802 4.6601 4.6601 5.0941 5.0941 6.3966 6.3966 6.7381 6.7381 7.3246 7.3246 7.6346 7.6346 8.3335 8.3335 8.7143 8.7143 10.1349 10.1349 10.9686 10.9686 12.6659 12.6659 19.5924 19.5924 k = 0.0833 0.1443-0.0000 ( 1283 PWs) bands (ev): -9.4011 -9.4011 -6.9522 -6.9522 3.2354 3.2354 4.6447 4.6447 5.0769 5.0769 6.4697 6.4697 6.8187 6.8187 7.3632 7.3632 7.6624 7.6624 8.3245 8.3245 8.6971 8.6971 10.1281 10.1281 10.9062 10.9062 12.5680 12.5680 19.5134 19.5134 k = 0.0784 0.1358-0.0000 ( 1279 PWs) bands (ev): -9.4232 -9.4232 -6.9414 -6.9414 3.1923 3.1923 4.6298 4.6298 5.0603 5.0603 6.5386 6.5386 6.8938 6.8938 7.4071 7.4071 7.6940 7.6940 8.3174 8.3174 8.6804 8.6804 10.1207 10.1207 10.8415 10.8415 12.4709 12.4709 19.4375 19.4375 k = 0.0735 0.1274-0.0000 ( 1271 PWs) bands (ev): -9.4442 -9.4442 -6.9312 -6.9312 3.1510 3.1510 4.6155 4.6155 5.0445 5.0445 6.6028 6.6028 6.9620 6.9620 7.4571 7.4571 7.7295 7.7295 8.3123 8.3123 8.6642 8.6642 10.1127 10.1127 10.7749 10.7749 12.3750 12.3750 19.3648 19.3648 k = 0.0686 0.1189-0.0000 ( 1275 PWs) bands (ev): -9.4640 -9.4640 -6.9215 -6.9215 3.1118 3.1118 4.6018 4.6018 5.0294 5.0294 6.6620 6.6620 7.0222 7.0222 7.5133 7.5133 7.7688 7.7688 8.3095 8.3095 8.6484 8.6484 10.1040 10.1040 10.7067 10.7067 12.2808 12.2808 19.2958 19.2958 k = 0.0637 0.1104-0.0000 ( 1271 PWs) bands (ev): -9.4825 -9.4825 -6.9125 -6.9125 3.0748 3.0748 4.5888 4.5888 5.0151 5.0151 6.7159 6.7159 7.0741 7.0741 7.5755 7.5755 7.8118 7.8118 8.3093 8.3093 8.6333 8.6333 10.0945 10.0945 10.6371 10.6371 12.1887 12.1887 19.2305 19.2305 k = 0.0588 0.1019-0.0000 ( 1267 PWs) bands (ev): -9.4997 -9.4997 -6.9041 -6.9041 3.0400 3.0400 4.5766 4.5766 5.0018 5.0018 6.7643 6.7643 7.1179 7.1179 7.6421 7.6421 7.8581 7.8581 8.3120 8.3120 8.6189 8.6189 10.0841 10.0841 10.5667 10.5667 12.0993 12.0993 19.1693 19.1693 k = 0.0539 0.0934-0.0000 ( 1267 PWs) bands (ev): -9.5157 -9.5157 -6.8963 -6.8963 3.0077 3.0077 4.5652 4.5652 4.9894 4.9894 6.8074 6.8074 7.1544 7.1544 7.7112 7.7112 7.9069 7.9069 8.3181 8.3181 8.6053 8.6053 10.0729 10.0729 10.4959 10.4959 12.0131 12.0131 19.1122 19.1122 k = 0.0490 0.0849-0.0000 ( 1273 PWs) bands (ev): -9.5303 -9.5303 -6.8891 -6.8891 2.9778 2.9778 4.5547 4.5547 4.9779 4.9779 6.8453 6.8453 7.1849 7.1849 7.7802 7.7802 7.9579 7.9579 8.3281 8.3281 8.5926 8.5926 10.0606 10.0606 10.4254 10.4254 11.9309 11.9309 19.0595 19.0595 k = 0.0441 0.0764-0.0000 ( 1269 PWs) bands (ev): -9.5436 -9.5436 -6.8826 -6.8826 2.9505 2.9505 4.5450 4.5450 4.9675 4.9675 6.8782 6.8782 7.2102 7.2102 7.8461 7.8461 8.0104 8.0104 8.3424 8.3424 8.5810 8.5810 10.0474 10.0474 10.3558 10.3558 11.8533 11.8533 19.0113 19.0113 k = 0.0392 0.0679-0.0000 ( 1267 PWs) bands (ev): -9.5556 -9.5556 -6.8768 -6.8768 2.9259 2.9259 4.5363 4.5363 4.9581 4.9581 6.9065 6.9065 7.2313 7.2313 7.9057 7.9057 8.0642 8.0642 8.3613 8.3613 8.5708 8.5708 10.0332 10.0332 10.2881 10.2881 11.7811 11.7811 18.9678 18.9678 k = 0.0343 0.0594-0.0000 ( 1271 PWs) bands (ev): -9.5662 -9.5662 -6.8716 -6.8716 2.9040 2.9040 4.5285 4.5285 4.9497 4.9497 6.9304 6.9304 7.2487 7.2488 7.9563 7.9563 8.1188 8.1188 8.3845 8.3845 8.5621 8.5621 10.0181 10.0181 10.2233 10.2233 11.7150 11.7150 18.9291 18.9291 k = 0.0294 0.0509-0.0000 ( 1271 PWs) bands (ev): -9.5754 -9.5754 -6.8671 -6.8671 2.8849 2.8849 4.5217 4.5217 4.9424 4.9424 6.9504 6.9504 7.2632 7.2632 7.9969 7.9969 8.1729 8.1729 8.4112 8.4112 8.5554 8.5554 10.0022 10.0022 10.1629 10.1629 11.6559 11.6559 18.8953 18.8953 k = 0.0245 0.0425-0.0000 ( 1267 PWs) bands (ev): -9.5832 -9.5832 -6.8632 -6.8632 2.8687 2.8687 4.5160 4.5160 4.9363 4.9363 6.9668 6.9668 7.2749 7.2749 8.0277 8.0277 8.2240 8.2240 8.4393 8.4393 8.5511 8.5511 9.9855 9.9855 10.1088 10.1088 11.6043 11.6043 18.8666 18.8666 k = 0.0196 0.0340-0.0000 ( 1265 PWs) bands (ev): -9.5896 -9.5896 -6.8601 -6.8601 2.8553 2.8553 4.5112 4.5112 4.9312 4.9312 6.9798 6.9798 7.2842 7.2842 8.0504 8.0504 8.2692 8.2692 8.4665 8.4665 8.5496 8.5496 9.9679 9.9679 10.0633 10.0633 11.5611 11.5611 18.8429 18.8429 k = 0.0147 0.0255-0.0000 ( 1265 PWs) bands (ev): -9.5946 -9.5946 -6.8577 -6.8577 2.8449 2.8449 4.5075 4.5075 4.9272 4.9272 6.9896 6.9896 7.2913 7.2913 8.0664 8.0664 8.3059 8.3059 8.4900 8.4900 8.5512 8.5512 9.9496 9.9496 10.0286 10.0286 11.5269 11.5269 18.8244 18.8244 k = 0.0098 0.0170-0.0000 ( 1265 PWs) bands (ev): -9.5982 -9.5982 -6.8559 -6.8559 2.8374 2.8374 4.5048 4.5048 4.9244 4.9244 6.9965 6.9965 7.2963 7.2963 8.0770 8.0770 8.3324 8.3324 8.5074 8.5074 8.5552 8.5552 9.9323 9.9323 10.0057 10.0057 11.5020 11.5020 18.8112 18.8112 k = 0.0049 0.0085-0.0000 ( 1265 PWs) bands (ev): -9.6003 -9.6003 -6.8549 -6.8549 2.8330 2.8330 4.5032 4.5032 4.9227 4.9227 7.0006 7.0006 7.2993 7.2993 8.0830 8.0830 8.3480 8.3480 8.5178 8.5178 8.5596 8.5596 9.9196 9.9196 9.9932 9.9932 11.4870 11.4870 18.8033 18.8033 k = 0.0000 0.0000 0.0000 ( 1265 PWs) bands (ev): -9.6010 -9.6010 -6.8545 -6.8545 2.8315 2.8315 4.5027 4.5027 4.9222 4.9222 7.0019 7.0019 7.3003 7.3003 8.0850 8.0850 8.3532 8.3532 8.5212 8.5212 8.5615 8.5615 9.9149 9.9149 9.9892 9.9892 11.4819 11.4819 18.8006 18.8006 k = 0.0000 0.0000 0.0000 ( 1265 PWs) bands (ev): -9.6010 -9.6010 -6.8545 -6.8545 2.8315 2.8315 4.5027 4.5027 4.9222 4.9222 7.0019 7.0019 7.3003 7.3003 8.0850 8.0850 8.3532 8.3532 8.5212 8.5212 8.5615 8.5615 9.9149 9.9149 9.9892 9.9892 11.4819 11.4819 18.8006 18.8006 k = 0.0000 0.0000 0.0097 ( 1265 PWs) bands (ev): -9.6004 -9.6004 -6.8555 -6.8555 2.8329 2.8329 4.5031 4.5031 4.9226 4.9226 7.0018 7.0018 7.3001 7.3001 8.0841 8.0841 8.3500 8.3500 8.5180 8.5180 8.5580 8.5580 9.9184 9.9184 9.9923 9.9923 11.4866 11.4866 18.7997 18.7997 k = 0.0000 0.0000 0.0193 ( 1265 PWs) bands (ev): -9.5985 -9.5985 -6.8586 -6.8586 2.8372 2.8372 4.5044 4.5044 4.9241 4.9241 7.0012 7.0012 7.2997 7.2997 8.0815 8.0815 8.3404 8.3404 8.5086 8.5086 8.5475 8.5475 9.9288 9.9288 10.0015 10.0015 11.5004 11.5004 18.7972 18.7972 k = 0.0000 0.0000 0.0290 ( 1265 PWs) bands (ev): -9.5954 -9.5954 -6.8636 -6.8636 2.8444 2.8444 4.5066 4.5066 4.9266 4.9266 7.0003 7.0003 7.2990 7.2990 8.0769 8.0769 8.3249 8.3249 8.4933 8.4933 8.5305 8.5305 9.9458 9.9458 10.0164 10.0164 11.5232 11.5232 18.7928 18.7928 k = 0.0000 0.0000 0.0387 ( 1259 PWs) bands (ev): -9.5911 -9.5911 -6.8707 -6.8707 2.8545 2.8545 4.5095 4.5095 4.9300 4.9300 6.9990 6.9990 7.2980 7.2980 8.0698 8.0698 8.3043 8.3043 8.4724 8.4724 8.5075 8.5075 9.9687 9.9687 10.0368 10.0368 11.5546 11.5546 18.7866 18.7866 k = 0.0000 0.0000 0.0484 ( 1259 PWs) bands (ev): -9.5855 -9.5855 -6.8797 -6.8797 2.8673 2.8673 4.5134 4.5134 4.9344 4.9344 6.9974 6.9974 7.2967 7.2967 8.0596 8.0596 8.2796 8.2796 8.4466 8.4466 8.4791 8.4791 9.9970 9.9970 10.0621 10.0621 11.5942 11.5942 18.7785 18.7785 k = 0.0000 0.0000 0.0580 ( 1265 PWs) bands (ev): -9.5788 -9.5788 -6.8906 -6.8906 2.8829 2.8829 4.5180 4.5180 4.9398 4.9398 6.9954 6.9954 7.2952 7.2952 8.0451 8.0451 8.2524 8.2524 8.4165 8.4165 8.4460 8.4460 10.0298 10.0298 10.0917 10.0917 11.6414 11.6414 18.7684 18.7684 k = 0.0000 0.0000 0.0677 ( 1265 PWs) bands (ev): -9.5708 -9.5708 -6.9034 -6.9034 2.9012 2.9012 4.5235 4.5235 4.9461 4.9461 6.9931 6.9931 7.2934 7.2934 8.0249 8.0249 8.2245 8.2245 8.3827 8.3827 8.4090 8.4090 10.0665 10.0665 10.1251 10.1251 11.6957 11.6957 18.7563 18.7563 k = 0.0000 0.0000 0.0774 ( 1265 PWs) bands (ev): -9.5617 -9.5617 -6.9180 -6.9180 2.9221 2.9221 4.5297 4.5297 4.9533 4.9533 6.9904 6.9904 7.2914 7.2914 7.9976 7.9976 8.1980 8.1980 8.3462 8.3462 8.3687 8.3687 10.1065 10.1065 10.1616 10.1616 11.7564 11.7564 18.7418 18.7418 k = 0.0000 0.0000 0.0870 ( 1265 PWs) bands (ev): -9.5515 -9.5515 -6.9343 -6.9343 2.9456 2.9456 4.5367 4.5367 4.9614 4.9614 6.9874 6.9874 7.2892 7.2892 7.9621 7.9621 8.1739 8.1739 8.3078 8.3078 8.3258 8.3258 10.1490 10.1490 10.2007 10.2007 11.8230 11.8230 18.7251 18.7251 k = 0.0000 0.0000 0.0967 ( 1265 PWs) bands (ev): -9.5402 -9.5402 -6.9522 -6.9522 2.9716 2.9716 4.5444 4.5444 4.9703 4.9703 6.9841 6.9841 7.2868 7.2868 7.9186 7.9186 8.1520 8.1520 8.2687 8.2687 8.2808 8.2808 10.1934 10.1934 10.2419 10.2419 11.8949 11.8949 18.7058 18.7058 k = 0.0000 0.0000 0.1064 ( 1265 PWs) bands (ev): -9.5278 -9.5278 -6.9718 -6.9718 3.0000 3.0000 4.5528 4.5528 4.9801 4.9801 6.9804 6.9804 7.2842 7.2842 7.8682 7.8682 8.1304 8.1304 8.2309 8.2309 8.2341 8.2341 10.2394 10.2394 10.2847 10.2847 11.9714 11.9714 18.6839 18.6839 k = 0.0000 0.0000 0.1161 ( 1265 PWs) bands (ev): -9.5144 -9.5144 -6.9927 -6.9927 3.0307 3.0307 4.5619 4.5619 4.9907 4.9907 6.9764 6.9764 7.2814 7.2814 7.8122 7.8122 8.1058 8.1058 8.1864 8.1864 8.1972 8.1972 10.2863 10.2863 10.3287 10.3287 12.0520 12.0520 18.6593 18.6593 k = 0.0000 0.0000 0.1257 ( 1271 PWs) bands (ev): -9.5001 -9.5001 -7.0151 -7.0151 3.0635 3.0635 4.5715 4.5715 5.0020 5.0020 6.9720 6.9720 7.2785 7.2785 7.7519 7.7519 8.0747 8.0747 8.1378 8.1378 8.1706 8.1706 10.3339 10.3339 10.3734 10.3734 12.1362 12.1362 18.6319 18.6319 k = 0.0000 0.0000 0.1354 ( 1271 PWs) bands (ev): -9.4848 -9.4848 -7.0387 -7.0387 3.0984 3.0984 4.5817 4.5817 5.0140 5.0140 6.9671 6.9671 7.2755 7.2755 7.6885 7.6885 8.0368 8.0368 8.0888 8.0888 8.1515 8.1515 10.3818 10.3818 10.4187 10.4187 12.2234 12.2234 18.6016 18.6016 k = 0.0000 0.0000 0.1451 ( 1271 PWs) bands (ev): -9.4687 -9.4687 -7.0634 -7.0634 3.1352 3.1352 4.5925 4.5925 5.0267 5.0267 6.9618 6.9618 7.2724 7.2724 7.6229 7.6229 7.9942 7.9942 8.0397 8.0397 8.1376 8.1376 10.4296 10.4296 10.4641 10.4641 12.3133 12.3133 18.5683 18.5683 k = 0.0000 0.0000 0.1548 ( 1265 PWs) bands (ev): -9.4518 -9.4518 -7.0891 -7.0891 3.1738 3.1738 4.6037 4.6037 5.0400 5.0400 6.9558 6.9558 7.2693 7.2693 7.5559 7.5559 7.9489 7.9489 7.9907 7.9907 8.1268 8.1268 10.4770 10.4770 10.5093 10.5093 12.4054 12.4054 18.5322 18.5322 k = 0.0000 0.0000 0.1644 ( 1277 PWs) bands (ev): -9.4342 -9.4342 -7.1157 -7.1157 3.2140 3.2140 4.6152 4.6152 5.0538 5.0538 6.9490 6.9490 7.2661 7.2661 7.4883 7.4883 7.9024 7.9024 7.9421 7.9421 8.1177 8.1177 10.5239 10.5239 10.5541 10.5541 12.4991 12.4991 18.4930 18.4930 k = 0.0000 0.0000 0.1741 ( 1277 PWs) bands (ev): -9.4160 -9.4160 -7.1429 -7.1429 3.2556 3.2556 4.6272 4.6272 5.0682 5.0682 6.9410 6.9410 7.2630 7.2630 7.4210 7.4210 7.8554 7.8554 7.8941 7.8941 8.1097 8.1097 10.5700 10.5700 10.5983 10.5983 12.5941 12.5941 18.4510 18.4510 k = 0.0000 0.0000 0.1838 ( 1271 PWs) bands (ev): -9.3972 -9.3972 -7.1708 -7.1708 3.2984 3.2984 4.6394 4.6394 5.0829 5.0829 6.9314 6.9314 7.2599 7.2599 7.3550 7.3550 7.8084 7.8084 7.8469 7.8469 8.1026 8.1026 10.6150 10.6150 10.6416 10.6416 12.6899 12.6899 18.4063 18.4063 k = 0.0000 0.0000 0.1934 ( 1271 PWs) bands (ev): -9.3780 -9.3780 -7.1990 -7.1990 3.3423 3.3423 4.6517 4.6517 5.0980 5.0980 6.9195 6.9195 7.2568 7.2568 7.2913 7.2913 7.7618 7.7618 7.8007 7.8007 8.0960 8.0960 10.6588 10.6588 10.6838 10.6838 12.7861 12.7861 18.3589 18.3589 k = 0.0000 0.0000 0.2031 ( 1259 PWs) bands (ev): -9.3584 -9.3584 -7.2275 -7.2275 3.3870 3.3870 4.6642 4.6642 5.1133 5.1133 6.9040 6.9040 7.2316 7.2316 7.2539 7.2539 7.7159 7.7159 7.7556 7.7556 8.0898 8.0898 10.7013 10.7013 10.7248 10.7248 12.8823 12.8823 18.3093 18.3093 k = 0.0000 0.0000 0.2128 ( 1259 PWs) bands (ev): -9.3387 -9.3387 -7.2561 -7.2561 3.4322 3.4322 4.6767 4.6767 5.1288 5.1288 6.8834 6.8834 7.1779 7.1779 7.2512 7.2512 7.6708 7.6708 7.7119 7.7119 8.0841 8.0841 10.7421 10.7421 10.7643 10.7643 12.9779 12.9779 18.2576 18.2576 k = 0.0000 0.0000 0.2225 ( 1265 PWs) bands (ev): -9.3189 -9.3189 -7.2845 -7.2845 3.4777 3.4777 4.6892 4.6892 5.1443 5.1443 6.8561 6.8561 7.1322 7.1322 7.2486 7.2486 7.6268 7.6268 7.6696 7.6696 8.0786 8.0786 10.7813 10.7813 10.8023 10.8023 13.0726 13.0726 18.2042 18.2042 k = 0.0000 0.0000 0.2321 ( 1265 PWs) bands (ev): -9.2991 -9.2991 -7.3126 -7.3126 3.5233 3.5233 4.7015 4.7015 5.1599 5.1599 6.8208 6.8208 7.0961 7.0961 7.2463 7.2463 7.5840 7.5840 7.6290 7.6290 8.0735 8.0735 10.8186 10.8186 10.8385 10.8385 13.1658 13.1658 18.1496 18.1496 k = 0.0000 0.0000 0.2418 ( 1265 PWs) bands (ev): -9.2795 -9.2795 -7.3402 -7.3402 3.5685 3.5685 4.7135 4.7135 5.1752 5.1752 6.7783 6.7783 7.0694 7.0694 7.2442 7.2442 7.5427 7.5427 7.5900 7.5900 8.0687 8.0687 10.8539 10.8539 10.8729 10.8729 13.2569 13.2569 18.0942 18.0942 k = 0.0000 0.0000 0.2515 ( 1265 PWs) bands (ev): -9.2602 -9.2602 -7.3670 -7.3670 3.6131 3.6131 4.7252 4.7252 5.1904 5.1904 6.7304 6.7304 7.0507 7.0507 7.2425 7.2425 7.5029 7.5029 7.5530 7.5530 8.0642 8.0642 10.8870 10.8870 10.9052 10.9052 13.3456 13.3456 18.0385 18.0385 k = 0.0000 0.0000 0.2611 ( 1265 PWs) bands (ev): -9.2415 -9.2415 -7.3929 -7.3929 3.6566 3.6566 4.7365 4.7365 5.2051 5.2051 6.6796 6.6796 7.0379 7.0379 7.2412 7.2412 7.4649 7.4649 7.5179 7.5179 8.0601 8.0601 10.9180 10.9180 10.9354 10.9354 13.4310 13.4310 17.9832 17.9832 k = 0.0000 0.0000 0.2708 ( 1254 PWs) bands (ev): -9.2235 -9.2235 -7.4177 -7.4177 3.6987 3.6987 4.7472 4.7472 5.2193 5.2193 6.6279 6.6279 7.0295 7.0295 7.2403 7.2403 7.4289 7.4289 7.4850 7.4850 8.0562 8.0562 10.9466 10.9466 10.9634 10.9634 13.5126 13.5126 17.9288 17.9288 k = 0.0000 0.0000 0.2805 ( 1254 PWs) bands (ev): -9.2064 -9.2064 -7.4410 -7.4410 3.7390 3.7390 4.7572 4.7572 5.2329 5.2329 6.5771 6.5771 7.0242 7.0242 7.2400 7.2400 7.3949 7.3949 7.4541 7.4541 8.0527 8.0527 10.9728 10.9728 10.9890 10.9890 13.5897 13.5897 17.8762 17.8762 k = 0.0000 0.0000 0.2902 ( 1254 PWs) bands (ev): -9.1904 -9.1904 -7.4627 -7.4627 3.7768 3.7768 4.7665 4.7665 5.2457 5.2457 6.5285 6.5285 7.0212 7.0212 7.2402 7.2402 7.3633 7.3633 7.4255 7.4255 8.0495 8.0495 10.9965 10.9965 11.0121 11.0121 13.6615 13.6615 17.8261 17.8261 k = 0.0000 0.0000 0.2998 ( 1260 PWs) bands (ev): -9.1757 -9.1757 -7.4825 -7.4825 3.8119 3.8119 4.7750 4.7750 5.2575 5.2575 6.4830 6.4830 7.0200 7.0200 7.2412 7.2412 7.3341 7.3341 7.3992 7.3992 8.0467 8.0467 11.0175 11.0175 11.0328 11.0328 13.7274 13.7274 17.7793 17.7793 k = 0.0000 0.0000 0.3095 ( 1260 PWs) bands (ev): -9.1624 -9.1624 -7.5002 -7.5002 3.8436 3.8436 4.7826 4.7826 5.2683 5.2683 6.4417 6.4417 7.0201 7.0201 7.2429 7.2429 7.3077 7.3077 7.3752 7.3752 8.0442 8.0442 11.0359 11.0359 11.0508 11.0508 13.7865 13.7865 17.7365 17.7365 k = 0.0000 0.0000 0.3192 ( 1272 PWs) bands (ev): -9.1509 -9.1509 -7.5156 -7.5156 3.8715 3.8715 4.7891 4.7891 5.2777 5.2777 6.4052 6.4052 7.0212 7.0212 7.2456 7.2456 7.2843 7.2843 7.3535 7.3535 8.0421 8.0421 11.0516 11.0516 11.0662 11.0662 13.8381 13.8381 17.6987 17.6987 k = 0.0000 0.0000 0.3289 ( 1272 PWs) bands (ev): -9.1411 -9.1411 -7.5285 -7.5285 3.8951 3.8951 4.7945 4.7945 5.2857 5.2857 6.3742 6.3742 7.0230 7.0230 7.2493 7.2493 7.2642 7.2642 7.3341 7.3341 8.0404 8.0404 11.0645 11.0645 11.0788 11.0788 13.8815 13.8815 17.6664 17.6664 k = 0.0000 0.0000 0.3385 ( 1272 PWs) bands (ev): -9.1334 -9.1334 -7.5388 -7.5388 3.9140 3.9140 4.7989 4.7989 5.2922 5.2922 6.3495 6.3495 7.0251 7.0251 7.2479 7.2479 7.2541 7.2541 7.3170 7.3170 8.0390 8.0390 11.0746 11.0746 11.0887 11.0887 13.9161 13.9161 17.6405 17.6405 k = 0.0000 0.0000 0.3482 ( 1272 PWs) bands (ev): -9.1277 -9.1277 -7.5462 -7.5462 3.9278 3.9278 4.8020 4.8020 5.2969 5.2969 6.3314 6.3314 7.0270 7.0270 7.2358 7.2358 7.2602 7.2602 7.3021 7.3021 8.0381 8.0381 11.0818 11.0818 11.0958 11.0958 13.9412 13.9412 17.6216 17.6216 k = 0.0000 0.0000 0.3579 ( 1284 PWs) bands (ev): -9.1243 -9.1243 -7.5507 -7.5507 3.9361 3.9361 4.8039 4.8039 5.2997 5.2997 6.3204 6.3204 7.0284 7.0284 7.2283 7.2283 7.2675 7.2675 7.2894 7.2894 8.0375 8.0375 11.0861 11.0861 11.1001 11.1001 13.9564 13.9564 17.6100 17.6100 k = 0.0000 0.0000 0.3675 ( 1278 PWs) bands (ev): -9.1231 -9.1231 -7.5522 -7.5522 3.9390 3.9390 4.8045 4.8045 5.3007 5.3007 6.3167 6.3167 7.0289 7.0289 7.2258 7.2258 7.2735 7.2735 7.2816 7.2816 8.0373 8.0373 11.0876 11.0876 11.1015 11.1015 13.9616 13.9616 17.6061 17.6061 k = 0.0000 0.0000 0.3675 ( 1278 PWs) bands (ev): -9.1231 -9.1231 -7.5522 -7.5522 3.9390 3.9390 4.8045 4.8045 5.3007 5.3007 6.3167 6.3167 7.0289 7.0289 7.2258 7.2258 7.2735 7.2735 7.2816 7.2816 8.0373 8.0373 11.0876 11.0876 11.1015 11.1015 13.9616 13.9616 17.6061 17.6061 k = 0.0085 0.0049 0.3675 ( 1278 PWs) bands (ev): -9.1227 -9.1227 -7.5519 -7.5519 3.9394 3.9394 4.8029 4.8029 5.2975 5.2975 6.3215 6.3215 7.0175 7.0175 7.1964 7.1964 7.2793 7.2793 7.3130 7.3130 8.0428 8.0428 11.0857 11.0857 11.1000 11.1000 13.9613 13.9613 17.6097 17.6097 k = 0.0169 0.0098 0.3675 ( 1280 PWs) bands (ev): -9.1216 -9.1216 -7.5510 -7.5510 3.9407 3.9407 4.7981 4.7981 5.2883 5.2883 6.3355 6.3355 6.9865 6.9865 7.1522 7.1522 7.2938 7.2938 7.3630 7.3630 8.0594 8.0594 11.0791 11.0791 11.0964 11.0964 13.9605 13.9605 17.6202 17.6202 k = 0.0254 0.0147 0.3675 ( 1272 PWs) bands (ev): -9.1196 -9.1196 -7.5495 -7.5495 3.9428 3.9428 4.7897 4.7897 5.2742 5.2742 6.3576 6.3576 6.9427 6.9427 7.1084 7.1084 7.3121 7.3121 7.4156 7.4156 8.0864 8.0864 11.0662 11.0662 11.0923 11.0923 13.9593 13.9593 17.6377 17.6377 k = 0.0339 0.0196 0.3675 ( 1278 PWs) bands (ev): -9.1168 -9.1168 -7.5475 -7.5475 3.9457 3.9457 4.7776 4.7776 5.2566 5.2566 6.3859 6.3859 6.8920 6.8920 7.0664 7.0664 7.3304 7.3304 7.4686 7.4686 8.1231 8.1231 11.0470 11.0470 11.0879 11.0879 13.9576 13.9576 17.6620 17.6620 k = 0.0424 0.0245 0.3675 ( 1282 PWs) bands (ev): -9.1132 -9.1132 -7.5449 -7.5449 3.9493 3.9493 4.7612 4.7612 5.2373 5.2373 6.4176 6.4176 6.8388 6.8388 7.0264 7.0264 7.3471 7.3471 7.5215 7.5215 8.1684 8.1684 11.0220 11.0220 11.0828 11.0828 13.9555 13.9555 17.6929 17.6929 k = 0.0508 0.0294 0.3675 ( 1282 PWs) bands (ev): -9.1089 -9.1089 -7.5417 -7.5417 3.9536 3.9536 4.7403 4.7403 5.2177 5.2177 6.4489 6.4489 6.7876 6.7876 6.9889 6.9889 7.3614 7.3614 7.5741 7.5741 8.2212 8.2212 10.9917 10.9917 11.0769 11.0769 13.9531 13.9531 17.7303 17.7303 k = 0.0593 0.0342 0.3675 ( 1278 PWs) bands (ev): -9.1037 -9.1037 -7.5380 -7.5380 3.9583 3.9583 4.7146 4.7146 5.1993 5.1993 6.4731 6.4731 6.7444 6.7444 6.9545 6.9545 7.3736 7.3736 7.6264 7.6264 8.2801 8.2801 10.9564 10.9564 11.0701 11.0701 13.9504 13.9504 17.7739 17.7739 k = 0.0678 0.0391 0.3675 ( 1274 PWs) bands (ev): -9.0978 -9.0978 -7.5338 -7.5338 3.9635 3.9635 4.6842 4.6842 5.1828 5.1828 6.4801 6.4801 6.7179 6.7179 6.9247 6.9247 7.3838 7.3838 7.6782 7.6782 8.3440 8.3440 10.9164 10.9164 11.0624 11.0624 13.9475 13.9475 17.8234 17.8234 k = 0.0763 0.0440 0.3675 ( 1274 PWs) bands (ev): -9.0911 -9.0911 -7.5291 -7.5291 3.9688 3.9688 4.6495 4.6495 5.1687 5.1687 6.4625 6.4625 6.7125 6.7125 6.9024 6.9024 7.3927 7.3927 7.7297 7.7297 8.4118 8.4118 10.8722 10.8722 11.0537 11.0537 13.9445 13.9445 17.8784 17.8784 k = 0.0847 0.0489 0.3675 ( 1274 PWs) bands (ev): -9.0837 -9.0837 -7.5240 -7.5240 3.9742 3.9742 4.6108 4.6108 5.1570 5.1570 6.4250 6.4250 6.7181 6.7181 6.8926 6.8926 7.4009 7.4009 7.7807 7.7807 8.4826 8.4826 10.8240 10.8240 11.0441 11.0441 13.9415 13.9415 17.9388 17.9388 k = 0.0932 0.0538 0.3675 ( 1270 PWs) bands (ev): -9.0755 -9.0755 -7.5184 -7.5184 3.9795 3.9795 4.5691 4.5691 5.1473 5.1473 6.3775 6.3775 6.7194 6.7194 6.9006 6.9006 7.4090 7.4090 7.8313 7.8313 8.5555 8.5555 10.7725 10.7725 11.0335 11.0335 13.9386 13.9386 18.0041 18.0041 k = 0.1017 0.0587 0.3675 ( 1270 PWs) bands (ev): -9.0665 -9.0665 -7.5125 -7.5125 3.9844 3.9844 4.5248 4.5248 5.1394 5.1394 6.3263 6.3263 6.7110 6.7110 6.9251 6.9251 7.4179 7.4179 7.8813 7.8813 8.6298 8.6298 10.7180 10.7180 11.0220 11.0220 13.9358 13.9358 18.0739 18.0739 k = 0.1102 0.0636 0.3675 ( 1266 PWs) bands (ev): -9.0568 -9.0568 -7.5062 -7.5062 3.9886 3.9886 4.4789 4.4789 5.1327 5.1327 6.2746 6.2746 6.6964 6.6964 6.9591 6.9591 7.4285 7.4285 7.9308 7.9308 8.7048 8.7048 10.6611 10.6611 11.0096 11.0096 13.9333 13.9333 18.1479 18.1479 k = 0.1186 0.0685 0.3675 ( 1262 PWs) bands (ev): -9.0464 -9.0464 -7.4996 -7.4996 3.9921 3.9921 4.4317 4.4317 5.1267 5.1267 6.2241 6.2241 6.6796 6.6796 6.9960 6.9960 7.4418 7.4418 7.9796 7.9796 8.7798 8.7798 10.6025 10.6025 10.9963 10.9963 13.9313 13.9313 18.2257 18.2257 k = 0.1271 0.0734 0.3675 ( 1266 PWs) bands (ev): -9.0353 -9.0353 -7.4927 -7.4927 3.9944 3.9944 4.3840 4.3840 5.1209 5.1209 6.1760 6.1760 6.6632 6.6632 7.0317 7.0317 7.4586 7.4586 8.0277 8.0277 8.8542 8.8542 10.5428 10.5428 10.9821 10.9821 13.9297 13.9297 18.3070 18.3070 k = 0.1356 0.0783 0.3675 ( 1266 PWs) bands (ev): -9.0235 -9.0235 -7.4856 -7.4856 3.9954 3.9954 4.3362 4.3362 5.1150 5.1150 6.1311 6.1311 6.6485 6.6485 7.0638 7.0638 7.4800 7.4800 8.0750 8.0750 8.9273 8.9273 10.4828 10.4828 10.9671 10.9671 13.9288 13.9288 18.3913 18.3913 k = 0.1441 0.0832 0.3675 ( 1266 PWs) bands (ev): -9.0110 -9.0110 -7.4784 -7.4784 3.9948 3.9948 4.2885 4.2885 5.1085 5.1085 6.0899 6.0899 6.6362 6.6362 7.0907 7.0907 7.5062 7.5062 8.1213 8.1213 8.9983 8.9983 10.4236 10.4236 10.9513 10.9513 13.9286 13.9286 18.4783 18.4783 k = 0.1525 0.0881 0.3675 ( 1270 PWs) bands (ev): -8.9978 -8.9978 -7.4710 -7.4710 3.9924 3.9924 4.2414 4.2414 5.1010 5.1010 6.0529 6.0529 6.6268 6.6268 7.1120 7.1120 7.5373 7.5373 8.1666 8.1666 9.0662 9.0662 10.3662 10.3662 10.9347 10.9347 13.9294 13.9294 18.5676 18.5676 k = 0.1610 0.0930 0.3675 ( 1278 PWs) bands (ev): -8.9840 -8.9840 -7.4635 -7.4635 3.9880 3.9880 4.1950 4.1950 5.0924 5.0924 6.0205 6.0205 6.6206 6.6206 7.1278 7.1278 7.5725 7.5725 8.2108 8.2108 9.1298 9.1298 10.3121 10.3121 10.9173 10.9173 13.9312 13.9312 18.6586 18.6586 k = 0.1695 0.0979 0.3675 ( 1270 PWs) bands (ev): -8.9695 -8.9695 -7.4560 -7.4560 3.9816 3.9816 4.1495 4.1495 5.0825 5.0825 5.9930 5.9930 6.6176 6.6176 7.1388 7.1388 7.6108 7.6108 8.2537 8.2537 9.1877 9.1877 10.2632 10.2632 10.8993 10.8993 13.9341 13.9341 18.7512 18.7512 k = 0.1780 0.1027 0.3675 ( 1270 PWs) bands (ev): -8.9544 -8.9544 -7.4485 -7.4485 3.9729 3.9729 4.1051 4.1051 5.0711 5.0711 5.9704 5.9704 6.6180 6.6180 7.1461 7.1461 7.6510 7.6510 8.2953 8.2953 9.2381 9.2381 10.2215 10.2215 10.8806 10.8806 13.9384 13.9384 18.8447 18.8447 k = 0.1864 0.1076 0.3675 ( 1266 PWs) bands (ev): -8.9387 -8.9387 -7.4411 -7.4411 3.9620 3.9620 4.0619 4.0619 5.0581 5.0581 5.9529 5.9529 6.6217 6.6217 7.1504 7.1504 7.6919 7.6919 8.3353 8.3353 9.2791 9.2791 10.1894 10.1894 10.8612 10.8612 13.9442 13.9442 18.9388 18.9388 k = 0.1949 0.1125 0.3675 ( 1266 PWs) bands (ev): -8.9225 -8.9225 -7.4338 -7.4338 3.9490 3.9490 4.0200 4.0200 5.0437 5.0437 5.9404 5.9404 6.6286 6.6286 7.1526 7.1526 7.7325 7.7325 8.3736 8.3736 9.3088 9.3088 10.1692 10.1692 10.8413 10.8413 13.9515 13.9515 19.0330 19.0330 k = 0.2034 0.1174 0.3675 ( 1270 PWs) bands (ev): -8.9057 -8.9057 -7.4266 -7.4266 3.9333 3.9333 3.9798 3.9798 5.0277 5.0277 5.9328 5.9328 6.6385 6.6385 7.1534 7.1534 7.7718 7.7718 8.4101 8.4101 9.3260 9.3260 10.1624 10.1624 10.8208 10.8208 13.9606 13.9606 19.1269 19.1269 k = 0.2119 0.1223 0.3675 ( 1266 PWs) bands (ev): -8.8883 -8.8883 -7.4197 -7.4197 3.9135 3.9135 3.9434 3.9434 5.0104 5.0104 5.9299 5.9299 6.6512 6.6512 7.1534 7.1534 7.8090 7.8090 8.4446 8.4446 9.3309 9.3309 10.1697 10.1697 10.7999 10.7999 13.9716 13.9716 19.2197 19.2197 k = 0.2203 0.1272 0.3675 ( 1266 PWs) bands (ev): -8.8705 -8.8705 -7.4130 -7.4130 3.8848 3.8848 3.9155 3.9155 4.9919 4.9919 5.9312 5.9312 6.6662 6.6662 7.1531 7.1531 7.8435 7.8435 8.4769 8.4769 9.3251 9.3251 10.1899 10.1899 10.7787 10.7787 13.9847 13.9847 19.3111 19.3111 k = 0.2288 0.1321 0.3675 ( 1270 PWs) bands (ev): -8.8523 -8.8523 -7.4066 -7.4066 3.8487 3.8487 3.8950 3.8950 4.9722 4.9722 5.9363 5.9363 6.6832 6.6832 7.1531 7.1531 7.8744 7.8744 8.5070 8.5070 9.3114 9.3114 10.2208 10.2208 10.7571 10.7571 13.9999 13.9999 19.4001 19.4001 k = 0.2373 0.1370 0.3675 ( 1270 PWs) bands (ev): -8.8336 -8.8336 -7.4006 -7.4006 3.8103 3.8103 3.8772 3.8772 4.9517 4.9517 5.9448 5.9448 6.7016 6.7016 7.1538 7.1538 7.9014 7.9014 8.5346 8.5346 9.2927 9.2927 10.2599 10.2599 10.7354 10.7354 14.0176 14.0176 19.4861 19.4861 k = 0.2458 0.1419 0.3675 ( 1268 PWs) bands (ev): -8.8145 -8.8145 -7.3950 -7.3950 3.7712 3.7712 3.8608 3.8608 4.9304 4.9304 5.9561 5.9561 6.7209 6.7209 7.1557 7.1557 7.9240 7.9240 8.5598 8.5598 9.2722 9.2722 10.3046 10.3046 10.7138 10.7138 14.0377 14.0377 19.5680 19.5680 k = 0.2542 0.1468 0.3675 ( 1268 PWs) bands (ev): -8.7950 -8.7950 -7.3897 -7.3897 3.7318 3.7318 3.8457 3.8457 4.9086 4.9086 5.9696 5.9696 6.7404 6.7404 7.1594 7.1594 7.9418 7.9418 8.5826 8.5826 9.2522 9.2522 10.3527 10.3527 10.6926 10.6926 14.0605 14.0605 19.6444 19.6444 k = 0.2627 0.1517 0.3675 ( 1264 PWs) bands (ev): -8.7752 -8.7752 -7.3849 -7.3849 3.6921 3.6921 3.8323 3.8323 4.8863 4.8863 5.9846 5.9846 6.7591 6.7591 7.1655 7.1655 7.9548 7.9548 8.6031 8.6031 9.2344 9.2344 10.4020 10.4020 10.6724 10.6724 14.0861 14.0861 19.7137 19.7137 k = 0.2712 0.1566 0.3675 ( 1264 PWs) bands (ev): -8.7552 -8.7552 -7.3806 -7.3806 3.6523 3.6523 3.8207 3.8207 4.8637 4.8637 6.0005 6.0005 6.7764 6.7764 7.1746 7.1746 7.9631 7.9631 8.6215 8.6215 9.2200 9.2200 10.4502 10.4502 10.6544 10.6544 14.1146 14.1146 19.7734 19.7734 k = 0.2797 0.1615 0.3675 ( 1268 PWs) bands (ev): -8.7349 -8.7349 -7.3768 -7.3768 3.6124 3.6124 3.8112 3.8112 4.8410 4.8410 6.0164 6.0164 6.7915 6.7915 7.1872 7.1872 7.9672 7.9672 8.6380 8.6380 9.2094 9.2094 10.4931 10.4931 10.6420 10.6420 14.1462 14.1462 19.8199 19.8199 k = 0.2881 0.1664 0.3675 ( 1268 PWs) bands (ev): -8.7145 -8.7145 -7.3736 -7.3736 3.5727 3.5727 3.8039 3.8039 4.8183 4.8183 6.0317 6.0317 6.8036 6.8036 7.2038 7.2038 7.9679 7.9679 8.6530 8.6530 9.2027 9.2027 10.5220 10.5220 10.6433 10.6433 14.1810 14.1810 19.8487 19.8487 k = 0.2966 0.1712 0.3675 ( 1268 PWs) bands (ev): -8.6939 -8.6939 -7.3708 -7.3708 3.5331 3.5331 3.7990 3.7990 4.7957 4.7957 6.0456 6.0456 6.8122 6.8122 7.2246 7.2246 7.9663 7.9663 8.6666 8.6666 9.1996 9.1996 10.5284 10.5284 10.6663 10.6663 14.2190 14.2190 19.8535 19.8535 k = 0.3051 0.1761 0.3675 ( 1268 PWs) bands (ev): -8.6732 -8.6732 -7.3687 -7.3687 3.4938 3.4938 3.7966 3.7966 4.7733 4.7733 6.0572 6.0572 6.8174 6.8174 7.2496 7.2496 7.9635 7.9635 8.6790 8.6790 9.1996 9.1996 10.5187 10.5187 10.7045 10.7045 14.2605 14.2605 19.8275 19.8275 k = 0.3136 0.1810 0.3675 ( 1274 PWs) bands (ev): -8.6525 -8.6525 -7.3671 -7.3671 3.4551 3.4551 3.7967 3.7967 4.7513 4.7513 6.0659 6.0659 6.8190 6.8190 7.2786 7.2786 7.9608 7.9608 8.6901 8.6901 9.2020 9.2020 10.5024 10.5024 10.7479 10.7479 14.3054 14.3054 19.7665 19.7665 k = 0.3220 0.1859 0.3675 ( 1270 PWs) bands (ev): -8.6319 -8.6319 -7.3660 -7.3660 3.4170 3.4170 3.7993 3.7993 4.7296 4.7296 6.0710 6.0710 6.8176 6.8176 7.3112 7.3112 7.9594 7.9594 8.6999 8.6999 9.2061 9.2061 10.4837 10.4837 10.7924 10.7924 14.3538 14.3538 19.6710 19.6710 k = 0.3305 0.1908 0.3675 ( 1270 PWs) bands (ev): -8.6113 -8.6113 -7.3655 -7.3655 3.3798 3.3798 3.8044 3.8044 4.7085 4.7085 6.0717 6.0717 6.8136 6.8136 7.3469 7.3469 7.9604 7.9604 8.7083 8.7083 9.2113 9.2113 10.4641 10.4641 10.8362 10.8362 14.4059 14.4059 19.5469 19.5469 k = 0.3390 0.1957 0.3675 ( 1262 PWs) bands (ev): -8.5909 -8.5909 -7.3655 -7.3655 3.3436 3.3436 3.8120 3.8120 4.6879 4.6879 6.0675 6.0675 6.8076 6.8076 7.3854 7.3854 7.9644 7.9644 8.7151 8.7151 9.2172 9.2172 10.4445 10.4445 10.8785 10.8785 14.4617 14.4617 19.4017 19.4017 k = 0.3475 0.2006 0.3675 ( 1262 PWs) bands (ev): -8.5708 -8.5708 -7.3661 -7.3661 3.3084 3.3084 3.8221 3.8221 4.6680 4.6680 6.0581 6.0581 6.8002 6.8002 7.4263 7.4263 7.9720 7.9720 8.7202 8.7202 9.2232 9.2232 10.4253 10.4253 10.9190 10.9190 14.5212 14.5212 19.2426 19.2426 k = 0.3559 0.2055 0.3675 ( 1270 PWs) bands (ev): -8.5510 -8.5510 -7.3671 -7.3671 3.2745 3.2745 3.8344 3.8344 4.6487 4.6487 6.0432 6.0432 6.7920 6.7920 7.4692 7.4692 7.9834 7.9834 8.7233 8.7233 9.2289 9.2289 10.4066 10.4066 10.9574 10.9574 14.5845 14.5845 19.0746 19.0746 k = 0.3644 0.2104 0.3675 ( 1266 PWs) bands (ev): -8.5315 -8.5315 -7.3686 -7.3686 3.2419 3.2419 3.8490 3.8490 4.6302 4.6302 6.0230 6.0230 6.7835 6.7835 7.5139 7.5139 7.9985 7.9985 8.7242 8.7242 9.2342 9.2342 10.3888 10.3888 10.9936 10.9936 14.6515 14.6515 18.9015 18.9015 k = 0.3729 0.2153 0.3675 ( 1266 PWs) bands (ev): -8.5126 -8.5126 -7.3705 -7.3705 3.2108 3.2108 3.8656 3.8656 4.6125 4.6125 5.9978 5.9978 6.7752 6.7752 7.5601 7.5601 8.0170 8.0170 8.7228 8.7228 9.2387 9.2387 10.3718 10.3718 11.0276 11.0276 14.7223 14.7223 18.7257 18.7257 k = 0.3814 0.2202 0.3675 ( 1268 PWs) bands (ev): -8.4942 -8.4942 -7.3727 -7.3727 3.1813 3.1813 3.8840 3.8840 4.5957 4.5957 5.9679 5.9679 6.7673 6.7673 7.6075 7.6075 8.0384 8.0384 8.7190 8.7190 9.2424 9.2424 10.3559 10.3559 11.0592 11.0592 14.7970 14.7970 18.5489 18.5489 k = 0.3898 0.2251 0.3675 ( 1268 PWs) bands (ev): -8.4765 -8.4765 -7.3753 -7.3753 3.1535 3.1535 3.9042 3.9042 4.5798 4.5798 5.9342 5.9342 6.7601 6.7601 7.6560 7.6560 8.0622 8.0622 8.7127 8.7127 9.2450 9.2450 10.3411 10.3411 11.0884 11.0884 14.8755 14.8755 18.3725 18.3725 k = 0.3983 0.2300 0.3675 ( 1268 PWs) bands (ev): -8.4595 -8.4595 -7.3781 -7.3781 3.1274 3.1274 3.9257 3.9257 4.5648 4.5648 5.8973 5.8973 6.7535 6.7535 7.7052 7.7052 8.0878 8.0878 8.7037 8.7037 9.2467 9.2467 10.3275 10.3275 11.1154 11.1154 14.9577 14.9577 18.1973 18.1973 k = 0.4068 0.2349 0.3675 ( 1268 PWs) bands (ev): -8.4434 -8.4434 -7.3811 -7.3811 3.1031 3.1031 3.9484 3.9484 4.5507 4.5507 5.8583 5.8583 6.7477 6.7477 7.7549 7.7549 8.1145 8.1145 8.6921 8.6921 9.2474 9.2474 10.3151 10.3151 11.1400 11.1400 15.0438 15.0438 18.0241 18.0241 k = 0.4153 0.2397 0.3675 ( 1264 PWs) bands (ev): -8.4282 -8.4282 -7.3841 -7.3841 3.0807 3.0807 3.9719 3.9719 4.5376 4.5376 5.8179 5.8179 6.7426 6.7426 7.8047 7.8047 8.1417 8.1417 8.6778 8.6778 9.2472 9.2472 10.3039 10.3039 11.1623 11.1623 15.1335 15.1335 17.8534 17.8534 k = 0.4237 0.2446 0.3675 ( 1262 PWs) bands (ev): -8.4141 -8.4141 -7.3873 -7.3873 3.0603 3.0603 3.9957 3.9957 4.5255 4.5255 5.7773 5.7773 6.7381 6.7381 7.8544 7.8544 8.1688 8.1688 8.6611 8.6611 9.2461 9.2461 10.2939 10.2939 11.1824 11.1824 15.2270 15.2270 17.6857 17.6857 k = 0.4322 0.2495 0.3675 ( 1262 PWs) bands (ev): -8.4012 -8.4012 -7.3903 -7.3903 3.0419 3.0419 4.0195 4.0195 4.5145 4.5145 5.7374 5.7374 6.7342 6.7342 7.9035 7.9035 8.1952 8.1952 8.6418 8.6418 9.2444 9.2444 10.2852 10.2852 11.2002 11.2002 15.3239 15.3239 17.5215 17.5215 k = 0.4407 0.2544 0.3675 ( 1262 PWs) bands (ev): -8.3895 -8.3895 -7.3933 -7.3933 3.0255 3.0255 4.0427 4.0427 4.5045 4.5045 5.6991 5.6991 6.7310 6.7310 7.9515 7.9515 8.2204 8.2204 8.6204 8.6204 9.2421 9.2421 10.2776 10.2776 11.2159 11.2159 15.4243 15.4243 17.3612 17.3612 k = 0.4492 0.2593 0.3675 ( 1258 PWs) bands (ev): -8.3791 -8.3791 -7.3960 -7.3960 3.0113 3.0113 4.0647 4.0647 4.4956 4.4956 5.6634 5.6634 6.7282 6.7282 7.9978 7.9978 8.2438 8.2438 8.5972 8.5972 9.2396 9.2396 10.2712 10.2712 11.2293 11.2293 15.5276 15.5276 17.2055 17.2055 k = 0.4576 0.2642 0.3675 ( 1254 PWs) bands (ev): -8.3701 -8.3701 -7.3984 -7.3984 2.9991 2.9991 4.0850 4.0850 4.4878 4.4878 5.6312 5.6312 6.7259 6.7259 8.0417 8.0417 8.2651 8.2651 8.5726 8.5726 9.2369 9.2369 10.2658 10.2658 11.2407 11.2407 15.6335 15.6335 17.0550 17.0550 k = 0.4661 0.2691 0.3675 ( 1254 PWs) bands (ev): -8.3627 -8.3627 -7.4005 -7.4005 2.9892 2.9892 4.1029 4.1029 4.4812 4.4812 5.6034 5.6034 6.7241 6.7241 8.0821 8.0821 8.2839 8.2839 8.5475 8.5475 9.2344 9.2344 10.2616 10.2616 11.2499 11.2499 15.7408 15.7408 16.9110 16.9110 k = 0.4746 0.2740 0.3675 ( 1258 PWs) bands (ev): -8.3569 -8.3569 -7.4023 -7.4023 2.9814 2.9814 4.1177 4.1177 4.4759 4.4759 5.5808 5.5808 6.7227 6.7227 8.1174 8.1174 8.2999 8.2999 8.5232 8.5232 9.2321 9.2321 10.2583 10.2583 11.2571 11.2571 15.8473 15.8473 16.7758 16.7758 k = 0.4831 0.2789 0.3675 ( 1258 PWs) bands (ev): -8.3526 -8.3526 -7.4035 -7.4035 2.9758 2.9758 4.1288 4.1288 4.4720 4.4720 5.5641 5.5641 6.7217 6.7217 8.1456 8.1456 8.3128 8.3128 8.5018 8.5018 9.2304 9.2304 10.2560 10.2560 11.2622 11.2622 15.9479 15.9479 16.6546 16.6546 k = 0.4915 0.2838 0.3675 ( 1256 PWs) bands (ev): -8.3501 -8.3501 -7.4043 -7.4043 2.9725 2.9725 4.1357 4.1357 4.4697 4.4697 5.5539 5.5539 6.7211 6.7211 8.1642 8.1642 8.3216 8.3216 8.4863 8.4863 9.2293 9.2293 10.2546 10.2546 11.2653 11.2653 16.0297 16.0297 16.5604 16.5604 k = 0.5000 0.2887 0.3675 ( 1252 PWs) bands (ev): -8.3492 -8.3492 -7.4045 -7.4045 2.9714 2.9714 4.1381 4.1381 4.4689 4.4689 5.5504 5.5504 6.7209 6.7209 8.1706 8.1706 8.3248 8.3248 8.4806 8.4806 9.2289 9.2289 10.2541 10.2541 11.2663 11.2663 16.0644 16.0644 16.5216 16.5216 k = 0.5000 0.2887 0.3675 ( 1252 PWs) bands (ev): -8.3492 -8.3492 -7.4045 -7.4045 2.9714 2.9714 4.1381 4.1381 4.4689 4.4689 5.5504 5.5504 6.7209 6.7209 8.1706 8.1706 8.3248 8.3248 8.4806 8.4806 9.2289 9.2289 10.2541 10.2541 11.2663 11.2663 16.0644 16.0644 16.5216 16.5216 k = 0.4951 0.2972 0.3675 ( 1252 PWs) bands (ev): -8.3487 -8.3487 -7.4050 -7.4050 2.9729 2.9729 4.1379 4.1379 4.4697 4.4697 5.5507 5.5507 6.7206 6.7206 8.1583 8.1583 8.3299 8.3299 8.4784 8.4784 9.2289 9.2289 10.2590 10.2590 11.2679 11.2679 16.0657 16.0657 16.5243 16.5243 k = 0.4902 0.3057 0.3675 ( 1252 PWs) bands (ev): -8.3471 -8.3471 -7.4063 -7.4063 2.9776 2.9776 4.1374 4.1374 4.4723 4.4723 5.5517 5.5517 6.7199 6.7199 8.1256 8.1256 8.3404 8.3404 8.4725 8.4725 9.2288 9.2288 10.2735 10.2735 11.2728 11.2728 16.0698 16.0698 16.5324 16.5324 k = 0.4853 0.3141 0.3675 ( 1252 PWs) bands (ev): -8.3445 -8.3445 -7.4084 -7.4084 2.9853 2.9853 4.1365 4.1365 4.4765 4.4765 5.5532 5.5532 6.7185 6.7185 8.0794 8.0794 8.3485 8.3485 8.4646 8.4646 9.2285 9.2285 10.2973 10.2973 11.2807 11.2807 16.0765 16.0765 16.5458 16.5458 k = 0.4804 0.3226 0.3675 ( 1252 PWs) bands (ev): -8.3408 -8.3408 -7.4114 -7.4114 2.9961 2.9961 4.1353 4.1353 4.4824 4.4824 5.5553 5.5553 6.7165 6.7165 8.0239 8.0239 8.3487 8.3487 8.4577 8.4577 9.2274 9.2274 10.3295 10.3295 11.2916 11.2916 16.0859 16.0859 16.5646 16.5646 k = 0.4755 0.3311 0.3675 ( 1256 PWs) bands (ev): -8.3362 -8.3362 -7.4153 -7.4153 3.0099 3.0099 4.1338 4.1338 4.4899 4.4899 5.5580 5.5580 6.7136 6.7136 7.9611 7.9611 8.3380 8.3380 8.4540 8.4540 9.2254 9.2254 10.3693 10.3693 11.3052 11.3052 16.0979 16.0979 16.5886 16.5886 k = 0.4706 0.3396 0.3675 ( 1252 PWs) bands (ev): -8.3304 -8.3304 -7.4200 -7.4200 3.0267 3.0267 4.1321 4.1321 4.4990 4.4990 5.5613 5.5613 6.7098 6.7098 7.8925 7.8925 8.3173 8.3173 8.4535 8.4535 9.2222 9.2222 10.4157 10.4157 11.3212 11.3212 16.1124 16.1124 16.6179 16.6179 k = 0.4657 0.3481 0.3675 ( 1256 PWs) bands (ev): -8.3237 -8.3237 -7.4255 -7.4255 3.0464 3.0464 4.1302 4.1302 4.5096 4.5096 5.5652 5.5652 6.7046 6.7046 7.8191 7.8191 8.2893 8.2893 8.4541 8.4541 9.2175 9.2175 10.4677 10.4677 11.3393 11.3393 16.1295 16.1295 16.6523 16.6523 k = 0.4608 0.3566 0.3675 ( 1256 PWs) bands (ev): -8.3160 -8.3160 -7.4319 -7.4319 3.0690 3.0690 4.1281 4.1281 4.5217 4.5217 5.5695 5.5695 6.6980 6.6980 7.7419 7.7419 8.2566 8.2566 8.4544 8.4544 9.2112 9.2112 10.5242 10.5242 11.3591 11.3591 16.1489 16.1489 16.6918 16.6918 k = 0.4559 0.3651 0.3675 ( 1256 PWs) bands (ev): -8.3072 -8.3072 -7.4391 -7.4391 3.0944 3.0944 4.1259 4.1259 4.5353 4.5353 5.5744 5.5744 6.6894 6.6894 7.6615 7.6615 8.2211 8.2211 8.4535 8.4535 9.2031 9.2031 10.5843 10.5843 11.3803 11.3803 16.1707 16.1707 16.7363 16.7363 k = 0.4510 0.3736 0.3675 ( 1260 PWs) bands (ev): -8.2976 -8.2976 -7.4471 -7.4471 3.1224 3.1224 4.1235 4.1235 4.5503 4.5503 5.5798 5.5798 6.6787 6.6787 7.5788 7.5788 8.1843 8.1843 8.4513 8.4513 9.1934 9.1934 10.6470 10.6470 11.4026 11.4026 16.1946 16.1946 16.7857 16.7857 k = 0.4461 0.3821 0.3675 ( 1258 PWs) bands (ev): -8.2869 -8.2869 -7.4559 -7.4559 3.1530 3.1530 4.1211 4.1211 4.5667 4.5667 5.5856 5.5856 6.6653 6.6653 7.4943 7.4943 8.1472 8.1472 8.4476 8.4476 9.1820 9.1820 10.7115 10.7115 11.4256 11.4256 16.2206 16.2206 16.8399 16.8399 k = 0.4412 0.3906 0.3675 ( 1258 PWs) bands (ev): -8.2753 -8.2753 -7.4655 -7.4655 3.1861 3.1861 4.1186 4.1186 4.5845 4.5845 5.5919 5.5919 6.6489 6.6489 7.4087 7.4087 8.1110 8.1110 8.4426 8.4426 9.1689 9.1689 10.7772 10.7772 11.4490 11.4490 16.2486 16.2486 16.8987 16.8987 k = 0.4363 0.3991 0.3675 ( 1258 PWs) bands (ev): -8.2629 -8.2629 -7.4759 -7.4759 3.2215 3.2215 4.1160 4.1160 4.6036 4.6036 5.5985 5.5985 6.6291 6.6291 7.3226 7.3226 8.0763 8.0763 8.4364 8.4364 9.1543 9.1543 10.8432 10.8432 11.4725 11.4725 16.2784 16.2784 16.9621 16.9621 k = 0.4314 0.4075 0.3675 ( 1256 PWs) bands (ev): -8.2495 -8.2495 -7.4871 -7.4871 3.2591 3.2591 4.1135 4.1135 4.6239 4.6239 5.6054 5.6054 6.6055 6.6055 7.2365 7.2365 8.0441 8.0441 8.4292 8.4292 9.1383 9.1383 10.9091 10.9091 11.4959 11.4959 16.3098 16.3098 17.0298 17.0298 k = 0.4265 0.4160 0.3675 ( 1252 PWs) bands (ev): -8.2353 -8.2353 -7.4991 -7.4991 3.2986 3.2986 4.1109 4.1109 4.6455 4.6455 5.6126 5.6126 6.5778 6.5778 7.1510 7.1510 8.0149 8.0149 8.4210 8.4210 9.1210 9.1210 10.9743 10.9743 11.5189 11.5189 16.3427 16.3427 17.1018 17.1018 k = 0.4216 0.4245 0.3675 ( 1250 PWs) bands (ev): -8.2202 -8.2202 -7.5118 -7.5118 3.3400 3.3400 4.1082 4.1082 4.6684 4.6684 5.6199 5.6199 6.5458 6.5458 7.0665 7.0665 7.9893 7.9893 8.4122 8.4122 9.1025 9.1025 11.0383 11.0383 11.5413 11.5413 16.3770 16.3770 17.1778 17.1778 k = 0.4167 0.4330 0.3675 ( 1254 PWs) bands (ev): -8.2043 -8.2043 -7.5252 -7.5252 3.3831 3.3831 4.1056 4.1056 4.6924 4.6924 5.6273 5.6273 6.5093 6.5093 6.9837 6.9837 7.9677 7.9677 8.4028 8.4028 9.0828 9.0828 11.1008 11.1008 11.5628 11.5628 16.4124 16.4124 17.2577 17.2577 k = 0.4118 0.4415 0.3675 ( 1254 PWs) bands (ev): -8.1877 -8.1877 -7.5393 -7.5393 3.4274 3.4274 4.1029 4.1029 4.7176 4.7176 5.6347 5.6347 6.4685 6.4685 6.9028 6.9028 7.9502 7.9502 8.3931 8.3931 9.0623 9.0623 11.1614 11.1614 11.5835 11.5835 16.4488 16.4488 17.3412 17.3412 k = 0.4069 0.4500 0.3675 ( 1254 PWs) bands (ev): -8.1703 -8.1703 -7.5542 -7.5542 3.4729 3.4729 4.1001 4.1001 4.7439 4.7439 5.6419 5.6419 6.4234 6.4234 6.8246 6.8246 7.9368 7.9368 8.3831 8.3831 9.0410 9.0410 11.2197 11.2197 11.6030 11.6030 16.4860 16.4860 17.4282 17.4282 k = 0.4020 0.4585 0.3675 ( 1258 PWs) bands (ev): -8.1523 -8.1523 -7.5697 -7.5697 3.5193 3.5193 4.0973 4.0973 4.7712 4.7712 5.6488 5.6488 6.3746 6.3746 6.7492 6.7492 7.9276 7.9276 8.3730 8.3730 9.0190 9.0190 11.2755 11.2755 11.6214 11.6214 16.5238 16.5238 17.5184 17.5184 k = 0.3971 0.4670 0.3675 ( 1258 PWs) bands (ev): -8.1335 -8.1335 -7.5859 -7.5859 3.5661 3.5661 4.0944 4.0944 4.7995 4.7995 5.6551 5.6551 6.3226 6.3226 6.6772 6.6772 7.9222 7.9222 8.3630 8.3630 8.9966 8.9966 11.3286 11.3286 11.6385 11.6385 16.5619 16.5619 17.6116 17.6116 k = 0.3922 0.4755 0.3675 ( 1254 PWs) bands (ev): -8.1142 -8.1142 -7.6028 -7.6028 3.6131 3.6131 4.0913 4.0913 4.8287 4.8287 5.6606 5.6606 6.2683 6.2683 6.6088 6.6088 7.9204 7.9204 8.3533 8.3533 8.9740 8.9740 11.3786 11.3786 11.6543 11.6543 16.6002 16.6002 17.7073 17.7073 k = 0.3873 0.4840 0.3675 ( 1258 PWs) bands (ev): -8.0943 -8.0943 -7.6202 -7.6202 3.6598 3.6598 4.0881 4.0881 4.8587 4.8587 5.6650 5.6650 6.2127 6.2127 6.5444 6.5444 7.9216 7.9216 8.3439 8.3439 8.9513 8.9513 11.4254 11.4254 11.6687 11.6687 16.6383 16.6383 17.8053 17.8053 k = 0.3824 0.4924 0.3675 ( 1254 PWs) bands (ev): -8.0738 -8.0738 -7.6383 -7.6383 3.7059 3.7059 4.0848 4.0848 4.8893 4.8893 5.6678 5.6678 6.1570 6.1570 6.4841 6.4841 7.9254 7.9254 8.3352 8.3352 8.9288 8.9288 11.4688 11.4688 11.6817 11.6817 16.6761 16.6761 17.9050 17.9050 k = 0.3775 0.5009 0.3675 ( 1258 PWs) bands (ev): -8.0528 -8.0528 -7.6570 -7.6570 3.7508 3.7508 4.0812 4.0812 4.9204 4.9204 5.6683 5.6683 6.1025 6.1025 6.4283 6.4283 7.9312 7.9312 8.3271 8.3271 8.9068 8.9068 11.5085 11.5085 11.6935 11.6935 16.7132 16.7132 18.0060 18.0060 k = 0.3725 0.5094 0.3675 ( 1258 PWs) bands (ev): -8.0314 -8.0314 -7.6762 -7.6762 3.7940 3.7940 4.0774 4.0774 4.9516 4.9516 5.6661 5.6661 6.0509 6.0509 6.3773 6.3773 7.9385 7.9385 8.3200 8.3200 8.8855 8.8855 11.5444 11.5444 11.7038 11.7038 16.7493 16.7493 18.1074 18.1074 k = 0.3676 0.5179 0.3675 ( 1258 PWs) bands (ev): -8.0096 -8.0096 -7.6960 -7.6960 3.8350 3.8350 4.0733 4.0733 4.9827 4.9827 5.6601 5.6601 6.0038 6.0038 6.3315 6.3315 7.9466 7.9466 8.3139 8.3139 8.8652 8.8652 11.5763 11.5763 11.7130 11.7130 16.7840 16.7840 18.2084 18.2084 k = 0.3627 0.5264 0.3675 ( 1258 PWs) bands (ev): -7.9875 -7.9875 -7.7162 -7.7162 3.8731 3.8731 4.0689 4.0689 5.0130 5.0130 5.6500 5.6500 5.9627 5.9627 6.2914 6.2914 7.9549 7.9549 8.3089 8.3089 8.8463 8.8463 11.6040 11.6040 11.7210 11.7210 16.8168 16.8168 18.3076 18.3076 k = 0.3578 0.5349 0.3675 ( 1258 PWs) bands (ev): -7.9651 -7.9651 -7.7370 -7.7370 3.9078 3.9078 4.0643 4.0643 5.0420 5.0420 5.6356 5.6356 5.9289 5.9289 6.2572 6.2572 7.9629 7.9629 8.3051 8.3051 8.8292 8.8292 11.6273 11.6273 11.7280 11.7280 16.8472 16.8472 18.4030 18.4030 k = 0.3529 0.5434 0.3675 ( 1258 PWs) bands (ev): -7.9425 -7.9425 -7.7582 -7.7582 3.9382 3.9382 4.0595 4.0595 5.0687 5.0687 5.6180 5.6180 5.9027 5.9027 6.2294 6.2294 7.9701 7.9701 8.3025 8.3025 8.8143 8.8143 11.6460 11.6460 11.7341 11.7341 16.8744 16.8744 18.4919 18.4919 k = 0.3480 0.5519 0.3675 ( 1254 PWs) bands (ev): -7.9198 -7.9198 -7.7797 -7.7797 3.9636 3.9636 4.0548 4.0548 5.0918 5.0918 5.5993 5.5993 5.8837 5.8837 6.2081 6.2081 7.9759 7.9759 8.3010 8.3010 8.8021 8.8021 11.6602 11.6602 11.7392 11.7392 16.8977 16.8977 18.5702 18.5702 k = 0.3431 0.5604 0.3675 ( 1246 PWs) bands (ev): -7.8972 -7.8972 -7.8014 -7.8014 3.9830 3.9830 4.0508 4.0508 5.1099 5.1099 5.5827 5.5827 5.8711 5.8711 6.1932 6.1932 7.9803 7.9803 8.3004 8.3004 8.7929 8.7929 11.6698 11.6698 11.7434 11.7434 16.9160 16.9160 18.6324 18.6324 k = 0.3382 0.5689 0.3675 ( 1246 PWs) bands (ev): -7.8755 -7.8755 -7.8225 -7.8225 3.9949 3.9949 4.0482 4.0482 5.1214 5.1214 5.5711 5.5711 5.8639 5.8639 6.1845 6.1845 7.9828 7.9828 8.3002 8.3002 8.7872 8.7872 11.6752 11.6752 11.7463 11.7463 16.9281 16.9281 18.6721 18.6721 k = 0.3333 0.5774 0.3675 ( 1242 PWs) bands (ev): -7.8618 -7.8618 -7.8361 -7.8361 3.9987 3.9987 4.0475 4.0475 5.1253 5.1253 5.5670 5.5670 5.8616 5.8616 6.1818 6.1818 7.9837 7.9837 8.3003 8.3003 8.7852 8.7852 11.6769 11.6769 11.7473 11.7473 16.9325 16.9325 18.6854 18.6854 k = 0.3333 0.5774 0.3675 ( 1242 PWs) bands (ev): -7.8618 -7.8618 -7.8361 -7.8361 3.9987 3.9987 4.0475 4.0475 5.1253 5.1253 5.5670 5.5670 5.8616 5.8616 6.1818 6.1818 7.9837 7.9837 8.3003 8.3003 8.7852 8.7852 11.6769 11.6769 11.7473 11.7473 16.9325 16.9325 18.6854 18.6854 k = 0.3284 0.5689 0.3675 ( 1246 PWs) bands (ev): -7.8757 -7.8757 -7.8224 -7.8224 3.9957 3.9957 4.0474 4.0474 5.1216 5.1216 5.5711 5.5711 5.8639 5.8639 6.1844 6.1844 7.9829 7.9829 8.3001 8.3001 8.7872 8.7872 11.6753 11.6753 11.7461 11.7461 16.9275 16.9275 18.6739 18.6739 k = 0.3235 0.5604 0.3675 ( 1246 PWs) bands (ev): -7.8979 -7.8979 -7.8008 -7.8008 3.9883 3.9883 4.0453 4.0453 5.1113 5.1113 5.5829 5.5829 5.8707 5.8707 6.1920 6.1920 7.9806 7.9806 8.2996 8.2996 8.7932 8.7932 11.6709 11.6709 11.7424 11.7424 16.9116 16.9116 18.6452 18.6452 k = 0.3186 0.5519 0.3675 ( 1250 PWs) bands (ev): -7.9215 -7.9215 -7.7783 -7.7783 3.9781 3.9781 4.0400 4.0400 5.0963 5.0963 5.6005 5.6005 5.8821 5.8821 6.2040 6.2040 7.9770 7.9770 8.2985 8.2985 8.8029 8.8029 11.6639 11.6639 11.7358 11.7358 16.8831 16.8831 18.6096 18.6096 k = 0.3137 0.5434 0.3675 ( 1254 PWs) bands (ev): -7.9456 -7.9456 -7.7557 -7.7557 3.9659 3.9659 4.0309 4.0309 5.0786 5.0786 5.6218 5.6218 5.8982 5.8982 6.2202 6.2202 7.9725 7.9725 8.2970 8.2970 8.8162 8.8162 11.6544 11.6544 11.7264 11.7264 16.8411 16.8411 18.5757 18.5757 k = 0.3088 0.5349 0.3675 ( 1258 PWs) bands (ev): -7.9702 -7.9702 -7.7333 -7.7333 3.9521 3.9521 4.0182 4.0182 5.0598 5.0598 5.6445 5.6445 5.9192 5.9192 6.2400 6.2400 7.9671 7.9671 8.2951 8.2951 8.8326 8.8326 11.6424 11.6424 11.7142 11.7142 16.7851 16.7851 18.5497 18.5497 k = 0.3039 0.5264 0.3675 ( 1266 PWs) bands (ev): -7.9951 -7.9951 -7.7111 -7.7111 3.9369 3.9369 4.0024 4.0024 5.0414 5.0414 5.6670 5.6670 5.9451 5.9451 6.2633 6.2633 7.9612 7.9612 8.2930 8.2930 8.8516 8.8516 11.6279 11.6279 11.6994 11.6994 16.7155 16.7155 18.5350 18.5350 k = 0.2990 0.5179 0.3675 ( 1266 PWs) bands (ev): -8.0202 -8.0202 -7.6892 -7.6892 3.9204 3.9204 3.9839 3.9839 5.0241 5.0241 5.6878 5.6878 5.9759 5.9759 6.2896 6.2896 7.9549 7.9549 8.2910 8.2910 8.8727 8.8727 11.6105 11.6105 11.6822 11.6822 16.6337 16.6337 18.5330 18.5330 k = 0.2941 0.5094 0.3675 ( 1266 PWs) bands (ev): -8.0455 -8.0455 -7.6677 -7.6677 3.9028 3.9028 3.9632 3.9632 5.0088 5.0088 5.7060 5.7060 6.0111 6.0111 6.3186 6.3186 7.9485 7.9485 8.2894 8.2894 8.8954 8.8954 11.5901 11.5901 11.6632 11.6632 16.5414 16.5414 18.5439 18.5439 k = 0.2892 0.5009 0.3675 ( 1264 PWs) bands (ev): -8.0711 -8.0711 -7.6467 -7.6467 3.8842 3.8842 3.9411 3.9411 4.9957 4.9957 5.7211 5.7211 6.0504 6.0504 6.3499 6.3499 7.9421 7.9421 8.2884 8.2884 8.9192 8.9192 11.5663 11.5663 11.6427 11.6427 16.4407 16.4407 18.5671 18.5671 k = 0.2843 0.4924 0.3675 ( 1264 PWs) bands (ev): -8.0968 -8.0968 -7.6262 -7.6262 3.8648 3.8648 3.9181 3.9181 4.9851 4.9851 5.7330 5.7330 6.0930 6.0930 6.3832 6.3832 7.9358 7.9358 8.2882 8.2882 8.9439 8.9439 11.5387 11.5387 11.6211 11.6211 16.3336 16.3336 18.6016 18.6016 k = 0.2794 0.4840 0.3675 ( 1264 PWs) bands (ev): -8.1227 -8.1227 -7.6062 -7.6062 3.8447 3.8447 3.8948 3.8948 4.9772 4.9772 5.7417 5.7417 6.1379 6.1379 6.4183 6.4183 7.9298 7.9298 8.2889 8.2889 8.9690 8.9690 11.5073 11.5073 11.5987 11.5987 16.2221 16.2221 18.6462 18.6462 k = 0.2745 0.4755 0.3675 ( 1264 PWs) bands (ev): -8.1487 -8.1487 -7.5869 -7.5869 3.8242 3.8242 3.8715 3.8715 4.9720 4.9720 5.7474 5.7474 6.1845 6.1845 6.4549 6.4549 7.9240 7.9240 8.2908 8.2908 8.9943 8.9943 11.4720 11.4720 11.5757 11.5757 16.1079 16.1079 18.7000 18.7000 k = 0.2696 0.4670 0.3675 ( 1276 PWs) bands (ev): -8.1748 -8.1748 -7.5683 -7.5683 3.8033 3.8033 3.8489 3.8489 4.9694 4.9694 5.7501 5.7501 6.2318 6.2318 6.4929 6.4929 7.9184 7.9184 8.2939 8.2939 9.0196 9.0196 11.4330 11.4330 11.5520 11.5520 15.9924 15.9924 18.7621 18.7621 k = 0.2647 0.4585 0.3675 ( 1272 PWs) bands (ev): -8.2009 -8.2009 -7.5504 -7.5504 3.7824 3.7824 3.8272 3.8272 4.9695 4.9695 5.7503 5.7503 6.2788 6.2788 6.5325 6.5325 7.9131 7.9131 8.2984 8.2984 9.0448 9.0448 11.3904 11.3904 11.5276 11.5276 15.8769 15.8769 18.8318 18.8318 k = 0.2598 0.4500 0.3675 ( 1272 PWs) bands (ev): -8.2271 -8.2271 -7.5332 -7.5332 3.7618 3.7618 3.8067 3.8067 4.9720 4.9720 5.7479 5.7479 6.3246 6.3246 6.5737 6.5737 7.9079 7.9079 8.3041 8.3041 9.0698 9.0698 11.3445 11.3445 11.5023 11.5023 15.7622 15.7622 18.9084 18.9084 k = 0.2549 0.4415 0.3675 ( 1268 PWs) bands (ev): -8.2533 -8.2533 -7.5169 -7.5169 3.7417 3.7417 3.7875 3.7875 4.9770 4.9770 5.7431 5.7431 6.3682 6.3682 6.6168 6.6168 7.9027 7.9027 8.3113 8.3113 9.0946 9.0946 11.2956 11.2956 11.4763 11.4763 15.6493 15.6493 18.9915 18.9915 k = 0.2500 0.4330 0.3675 ( 1268 PWs) bands (ev): -8.2796 -8.2796 -7.5014 -7.5014 3.7226 3.7226 3.7698 3.7698 4.9842 4.9842 5.7363 5.7363 6.4090 6.4090 6.6620 6.6620 7.8973 7.8973 8.3197 8.3197 9.1193 9.1193 11.2437 11.2437 11.4494 11.4494 15.5387 15.5387 19.0804 19.0804 k = 0.2451 0.4245 0.3675 ( 1268 PWs) bands (ev): -8.3058 -8.3058 -7.4867 -7.4867 3.7046 3.7046 3.7538 3.7538 4.9934 4.9934 5.7274 5.7274 6.4461 6.4461 6.7094 6.7094 7.8915 7.8915 8.3295 8.3295 9.1438 9.1438 11.1891 11.1891 11.4216 11.4216 15.4310 15.4310 19.1746 19.1746 k = 0.2402 0.4160 0.3675 ( 1268 PWs) bands (ev): -8.3319 -8.3319 -7.4730 -7.4730 3.6881 3.6881 3.7394 3.7394 5.0047 5.0047 5.7168 5.7168 6.4792 6.4792 6.7590 6.7590 7.8851 7.8851 8.3405 8.3405 9.1684 9.1684 11.1320 11.1320 11.3930 11.3930 15.3267 15.3267 19.2737 19.2737 k = 0.2353 0.4075 0.3675 ( 1268 PWs) bands (ev): -8.3580 -8.3580 -7.4602 -7.4602 3.6732 3.6732 3.7268 3.7268 5.0177 5.0177 5.7046 5.7046 6.5083 6.5083 6.8104 6.8104 7.8780 7.8780 8.3527 8.3527 9.1931 9.1931 11.0726 11.0726 11.3636 11.3636 15.2260 15.2260 19.3768 19.3768 k = 0.2304 0.3991 0.3675 ( 1268 PWs) bands (ev): -8.3839 -8.3839 -7.4484 -7.4484 3.6602 3.6602 3.7161 3.7161 5.0323 5.0323 5.6911 5.6911 6.5335 6.5335 6.8630 6.8630 7.8700 7.8700 8.3661 8.3661 9.2180 9.2180 11.0111 11.0111 11.3334 11.3334 15.1291 15.1291 19.4832 19.4832 k = 0.2255 0.3906 0.3675 ( 1264 PWs) bands (ev): -8.4098 -8.4098 -7.4376 -7.4376 3.6491 3.6491 3.7074 3.7074 5.0483 5.0483 5.6765 5.6765 6.5550 6.5550 6.9162 6.9162 7.8610 7.8610 8.3807 8.3807 9.2432 9.2432 10.9477 10.9477 11.3025 11.3025 15.0363 15.0363 19.5916 19.5916 k = 0.2206 0.3821 0.3675 ( 1264 PWs) bands (ev): -8.4355 -8.4355 -7.4277 -7.4277 3.6401 3.6401 3.7007 3.7007 5.0654 5.0654 5.6611 5.6611 6.5730 6.5730 6.9692 6.9692 7.8508 7.8508 8.3964 8.3964 9.2686 9.2686 10.8827 10.8827 11.2710 11.2710 14.9477 14.9477 19.7004 19.7004 k = 0.2157 0.3736 0.3675 ( 1264 PWs) bands (ev): -8.4610 -8.4610 -7.4189 -7.4189 3.6333 3.6333 3.6961 3.6961 5.0835 5.0835 5.6452 5.6452 6.5878 6.5878 7.0215 7.0215 7.8394 7.8394 8.4134 8.4134 9.2943 9.2943 10.8163 10.8163 11.2389 11.2389 14.8634 14.8634 19.8072 19.8072 k = 0.2108 0.3651 0.3675 ( 1264 PWs) bands (ev): -8.4864 -8.4864 -7.4111 -7.4111 3.6287 3.6287 3.6937 3.6937 5.1022 5.1022 5.6292 5.6292 6.5996 6.5996 7.0723 7.0723 7.8268 7.8268 8.4319 8.4319 9.3201 9.3201 10.7489 10.7489 11.2064 11.2064 14.7833 14.7833 19.9085 19.9085 k = 0.2059 0.3566 0.3675 ( 1260 PWs) bands (ev): -8.5115 -8.5115 -7.4042 -7.4042 3.6263 3.6263 3.6934 3.6934 5.1211 5.1211 5.6137 5.6137 6.6087 6.6087 7.1210 7.1210 7.8131 7.8131 8.4520 8.4520 9.3457 9.3457 10.6807 10.6807 11.1736 11.1736 14.7076 14.7076 19.9995 19.9995 k = 0.2010 0.3481 0.3675 ( 1256 PWs) bands (ev): -8.5364 -8.5364 -7.3984 -7.3984 3.6262 3.6262 3.6954 3.6954 5.1397 5.1397 5.5991 5.5991 6.6151 6.6151 7.1668 7.1668 7.7984 7.7984 8.4740 8.4740 9.3708 9.3708 10.6121 10.6121 11.1407 11.1407 14.6361 14.6361 20.0743 20.0743 k = 0.1961 0.3396 0.3675 ( 1256 PWs) bands (ev): -8.5611 -8.5611 -7.3936 -7.3936 3.6284 3.6284 3.6996 3.6996 5.1575 5.1575 5.5861 5.5861 6.6190 6.6190 7.2091 7.2091 7.7828 7.7828 8.4978 8.4978 9.3950 9.3950 10.5437 10.5437 11.1078 11.1078 14.5688 14.5688 20.1270 20.1270 k = 0.1912 0.3311 0.3675 ( 1260 PWs) bands (ev): -8.5855 -8.5855 -7.3897 -7.3897 3.6330 3.6330 3.7059 3.7059 5.1737 5.1737 5.5757 5.5757 6.6205 6.6205 7.2473 7.2473 7.7668 7.7668 8.5238 8.5238 9.4177 9.4177 10.4759 10.4759 11.0753 11.0753 14.5056 14.5056 20.1541 20.1541 k = 0.1863 0.3226 0.3675 ( 1256 PWs) bands (ev): -8.6095 -8.6095 -7.3868 -7.3868 3.6398 3.6398 3.7143 3.7143 5.1875 5.1875 5.5686 5.5686 6.6197 6.6197 7.2808 7.2808 7.7506 7.7506 8.5518 8.5518 9.4383 9.4383 10.4095 10.4095 11.0434 11.0434 14.4465 14.4465 20.1562 20.1562 k = 0.1814 0.3141 0.3675 ( 1248 PWs) bands (ev): -8.6333 -8.6333 -7.3849 -7.3849 3.6489 3.6489 3.7248 3.7248 5.1982 5.1982 5.5659 5.5659 6.6167 6.6167 7.3092 7.3092 7.7346 7.7346 8.5816 8.5816 9.4561 9.4561 10.3451 10.3451 11.0123 11.0123 14.3913 14.3913 20.1368 20.1368 k = 0.1765 0.3057 0.3675 ( 1248 PWs) bands (ev): -8.6567 -8.6567 -7.3838 -7.3838 3.6604 3.6604 3.7371 3.7371 5.2049 5.2049 5.5683 5.5683 6.6117 6.6117 7.3321 7.3321 7.7192 7.7192 8.6130 8.6130 9.4701 9.4701 10.2835 10.2835 10.9826 10.9826 14.3400 14.3400 20.1003 20.1003 k = 0.1716 0.2972 0.3675 ( 1256 PWs) bands (ev): -8.6797 -8.6797 -7.3837 -7.3837 3.6741 3.6741 3.7512 3.7512 5.2074 5.2074 5.5762 5.5762 6.6047 6.6047 7.3492 7.3492 7.7047 7.7047 8.6451 8.6451 9.4797 9.4797 10.2259 10.2259 10.9546 10.9546 14.2924 14.2924 20.0506 20.0506 k = 0.1667 0.2887 0.3675 ( 1262 PWs) bands (ev): -8.7024 -8.7024 -7.3844 -7.3844 3.6900 3.6900 3.7669 3.7669 5.2059 5.2059 5.5896 5.5896 6.5959 6.5959 7.3606 7.3606 7.6915 7.6915 8.6771 8.6771 9.4843 9.4843 10.1731 10.1731 10.9287 10.9287 14.2484 14.2484 19.9908 19.9908 k = 0.1618 0.2802 0.3675 ( 1262 PWs) bands (ev): -8.7247 -8.7247 -7.3859 -7.3859 3.7082 3.7082 3.7840 3.7840 5.2009 5.2009 5.6080 5.6080 6.5856 6.5856 7.3665 7.3665 7.6797 7.6797 8.7075 8.7075 9.4835 9.4835 10.1261 10.1261 10.9054 10.9054 14.2079 14.2079 19.9231 19.9231 k = 0.1569 0.2717 0.3675 ( 1266 PWs) bands (ev): -8.7465 -8.7465 -7.3881 -7.3881 3.7285 3.7285 3.8024 3.8024 5.1931 5.1931 5.6308 5.6308 6.5740 6.5740 7.3673 7.3673 7.6691 7.6691 8.7346 8.7346 9.4776 9.4776 10.0857 10.0857 10.8851 10.8851 14.1709 14.1709 19.8491 19.8491 k = 0.1520 0.2632 0.3675 ( 1262 PWs) bands (ev): -8.7679 -8.7679 -7.3911 -7.3911 3.7508 3.7508 3.8218 3.8218 5.1835 5.1835 5.6571 5.6571 6.5615 6.5615 7.3636 7.3636 7.6595 7.6595 8.7563 8.7563 9.4676 9.4676 10.0523 10.0523 10.8684 10.8684 14.1371 14.1371 19.7700 19.7700 k = 0.1471 0.2547 0.3675 ( 1262 PWs) bands (ev): -8.7888 -8.7888 -7.3947 -7.3947 3.7751 3.7751 3.8420 3.8420 5.1728 5.1728 5.6862 5.6862 6.5483 6.5483 7.3562 7.3562 7.6504 7.6504 8.7702 8.7702 9.4547 9.4547 10.0261 10.0261 10.8553 10.8553 14.1064 14.1064 19.6868 19.6868 k = 0.1422 0.2462 0.3675 ( 1262 PWs) bands (ev): -8.8092 -8.8092 -7.3990 -7.3990 3.8012 3.8012 3.8629 3.8629 5.1618 5.1618 5.7175 5.7175 6.5350 6.5350 7.3457 7.3457 7.6416 7.6416 8.7743 8.7743 9.4405 9.4405 10.0075 10.0075 10.8462 10.8462 14.0787 14.0787 19.6002 19.6002 k = 0.1373 0.2377 0.3675 ( 1262 PWs) bands (ev): -8.8292 -8.8292 -7.4038 -7.4038 3.8285 3.8285 3.8845 3.8845 5.1510 5.1510 5.7504 5.7504 6.5221 6.5221 7.3327 7.3327 7.6327 7.6327 8.7668 8.7668 9.4256 9.4256 9.9968 9.9968 10.8410 10.8410 14.0539 14.0539 19.5108 19.5108 k = 0.1324 0.2292 0.3675 ( 1266 PWs) bands (ev): -8.8486 -8.8486 -7.4092 -7.4092 3.8565 3.8565 3.9071 3.9071 5.1409 5.1409 5.7844 5.7844 6.5100 6.5100 7.3177 7.3177 7.6234 7.6234 8.7472 8.7472 9.4099 9.4099 9.9947 9.9947 10.8397 10.8397 14.0319 14.0319 19.4192 19.4192 k = 0.1275 0.2208 0.3675 ( 1266 PWs) bands (ev): -8.8675 -8.8675 -7.4150 -7.4150 3.8839 3.8839 3.9316 3.9316 5.1319 5.1319 5.8192 5.8192 6.4996 6.4996 7.3009 7.3009 7.6136 7.6136 8.7163 8.7163 9.3918 9.3918 10.0020 10.0020 10.8419 10.8419 14.0125 14.0125 19.3260 19.3260 k = 0.1225 0.2123 0.3675 ( 1268 PWs) bands (ev): -8.8858 -8.8858 -7.4212 -7.4212 3.9087 3.9087 3.9595 3.9595 5.1241 5.1241 5.8544 5.8544 6.4912 6.4912 7.2824 7.2824 7.6032 7.6032 8.6754 8.6754 9.3694 9.3694 10.0193 10.0193 10.8473 10.8473 13.9956 13.9956 19.2316 19.2316 k = 0.1176 0.2038 0.3675 ( 1268 PWs) bands (ev): -8.9035 -8.9035 -7.4278 -7.4278 3.9299 3.9299 3.9915 3.9915 5.1179 5.1179 5.8898 5.8898 6.4857 6.4857 7.2623 7.2623 7.5922 7.5922 8.6266 8.6266 9.3413 9.3413 10.0465 10.0465 10.8555 10.8555 13.9811 13.9811 19.1363 19.1363 k = 0.1127 0.1953 0.3675 ( 1264 PWs) bands (ev): -8.9207 -8.9207 -7.4346 -7.4346 3.9474 3.9474 4.0274 4.0274 5.1133 5.1133 5.9251 5.9251 6.4835 6.4835 7.2404 7.2404 7.5807 7.5807 8.5717 8.5717 9.3066 9.3066 10.0827 10.0827 10.8659 10.8659 13.9688 13.9688 19.0407 19.0407 k = 0.1078 0.1868 0.3675 ( 1268 PWs) bands (ev): -8.9372 -8.9372 -7.4417 -7.4417 3.9617 3.9617 4.0663 4.0663 5.1102 5.1102 5.9603 5.9603 6.4852 6.4852 7.2167 7.2167 7.5687 7.5687 8.5124 8.5124 9.2652 9.2652 10.1267 10.1267 10.8781 10.8781 13.9585 13.9585 18.9451 18.9451 k = 0.1029 0.1783 0.3675 ( 1268 PWs) bands (ev): -8.9532 -8.9532 -7.4489 -7.4489 3.9732 3.9732 4.1075 4.1075 5.1086 5.1086 5.9953 5.9953 6.4912 6.4912 7.1909 7.1909 7.5564 7.5564 8.4503 8.4503 9.2177 9.2177 10.1770 10.1770 10.8916 10.8916 13.9502 13.9502 18.8500 18.8500 k = 0.0980 0.1698 0.3675 ( 1268 PWs) bands (ev): -8.9685 -8.9685 -7.4562 -7.4562 3.9822 3.9822 4.1506 4.1506 5.1084 5.1084 6.0303 6.0303 6.5018 6.5018 7.1629 7.1629 7.5440 7.5440 8.3864 8.3864 9.1646 9.1646 10.2321 10.2321 10.9060 10.9060 13.9436 13.9436 18.7557 18.7557 k = 0.0931 0.1613 0.3675 ( 1262 PWs) bands (ev): -8.9831 -8.9831 -7.4636 -7.4636 3.9888 3.9888 4.1952 4.1952 5.1094 5.1094 6.0655 6.0655 6.5170 6.5170 7.1324 7.1324 7.5316 7.5316 8.3218 8.3218 9.1068 9.1068 10.2907 10.2907 10.9210 10.9210 13.9387 13.9387 18.6625 18.6625 k = 0.0882 0.1528 0.3675 ( 1264 PWs) bands (ev): -8.9971 -8.9971 -7.4710 -7.4710 3.9931 3.9931 4.2411 4.2411 5.1113 5.1113 6.1014 6.1014 6.5367 6.5367 7.0992 7.0992 7.5193 7.5193 8.2571 8.2571 9.0450 9.0450 10.3515 10.3515 10.9363 10.9363 13.9352 13.9352 18.5709 18.5709 k = 0.0833 0.1443 0.3675 ( 1268 PWs) bands (ev): -9.0104 -9.0104 -7.4783 -7.4783 3.9955 3.9955 4.2880 4.2880 5.1141 5.1141 6.1383 6.1383 6.5606 6.5606 7.0634 7.0634 7.5072 7.5072 8.1930 8.1930 8.9799 8.9799 10.4136 10.4136 10.9516 10.9516 13.9330 13.9330 18.4813 18.4813 k = 0.0784 0.1358 0.3675 ( 1268 PWs) bands (ev): -9.0230 -9.0230 -7.4856 -7.4856 3.9960 3.9960 4.3355 4.3355 5.1175 5.1175 6.1767 6.1767 6.5883 6.5883 7.0250 7.0250 7.4953 7.4953 8.1298 8.1298 8.9120 8.9120 10.4761 10.4761 10.9666 10.9666 13.9320 13.9320 18.3940 18.3940 k = 0.0735 0.1274 0.3675 ( 1272 PWs) bands (ev): -9.0349 -9.0349 -7.4926 -7.4926 3.9949 3.9949 4.3833 4.3833 5.1215 5.1215 6.2170 6.2170 6.6193 6.6193 6.9843 6.9843 7.4837 7.4837 8.0679 8.0679 8.8421 8.8421 10.5383 10.5383 10.9811 10.9811 13.9320 13.9320 18.3094 18.3094 k = 0.0686 0.1189 0.3675 ( 1280 PWs) bands (ev): -9.0461 -9.0461 -7.4995 -7.4995 3.9925 3.9925 4.4310 4.4310 5.1262 5.1262 6.2591 6.2591 6.6529 6.6529 6.9415 6.9415 7.4722 7.4722 8.0075 8.0075 8.7707 8.7707 10.5995 10.5995 10.9951 10.9951 13.9328 13.9328 18.2278 18.2278 k = 0.0637 0.1104 0.3675 ( 1280 PWs) bands (ev): -9.0566 -9.0566 -7.5061 -7.5061 3.9889 3.9889 4.4782 4.4782 5.1317 5.1317 6.3030 6.3030 6.6889 6.6889 6.8974 6.8974 7.4609 7.4609 7.9487 7.9487 8.6983 8.6983 10.6591 10.6591 11.0084 11.0084 13.9344 13.9344 18.1497 18.1497 k = 0.0588 0.1019 0.3675 ( 1280 PWs) bands (ev): -9.0663 -9.0663 -7.5124 -7.5124 3.9846 3.9846 4.5242 4.5242 5.1383 5.1383 6.3481 6.3481 6.7263 6.7263 6.8534 6.8534 7.4496 7.4496 7.8914 7.8914 8.6255 8.6255 10.7166 10.7166 11.0209 11.0209 13.9365 13.9365 18.0755 18.0755 k = 0.0539 0.0934 0.3675 ( 1276 PWs) bands (ev): -9.0753 -9.0753 -7.5183 -7.5183 3.9797 3.9797 4.5685 4.5685 5.1463 5.1463 6.3930 6.3930 6.7634 6.7634 6.8128 6.8128 7.4382 7.4382 7.8356 7.8356 8.5529 8.5529 10.7715 10.7715 11.0326 11.0326 13.9390 13.9390 18.0054 18.0054 k = 0.0490 0.0849 0.3675 ( 1280 PWs) bands (ev): -9.0835 -9.0835 -7.5239 -7.5239 3.9744 3.9744 4.6103 4.6103 5.1561 5.1561 6.4347 6.4347 6.7664 6.7664 6.8121 6.8121 7.4263 7.4263 7.7812 7.7812 8.4813 8.4813 10.8233 10.8233 11.0434 11.0434 13.9417 13.9417 17.9400 17.9400 k = 0.0441 0.0764 0.3675 ( 1272 PWs) bands (ev): -9.0910 -9.0910 -7.5290 -7.5290 3.9690 3.9690 4.6490 4.6490 5.1680 5.1680 6.4674 6.4674 6.7418 6.7418 6.8510 6.8510 7.4138 7.4138 7.7278 7.7278 8.4114 8.4114 10.8716 10.8716 11.0532 11.0532 13.9446 13.9446 17.8794 17.8794 k = 0.0392 0.0679 0.3675 ( 1278 PWs) bands (ev): -9.0977 -9.0977 -7.5337 -7.5337 3.9636 3.9636 4.6838 4.6838 5.1823 5.1823 6.4822 6.4822 6.7355 6.7355 6.8925 6.8925 7.4005 7.4005 7.6754 7.6754 8.3441 8.3441 10.9159 10.9159 11.0620 11.0620 13.9475 13.9475 17.8242 17.8242 k = 0.0343 0.0594 0.3675 ( 1278 PWs) bands (ev): -9.1037 -9.1037 -7.5379 -7.5379 3.9584 3.9584 4.7143 4.7143 5.1989 5.1989 6.4740 6.4740 6.7545 6.7545 6.9347 6.9347 7.3859 7.3859 7.6235 7.6235 8.2805 8.2805 10.9560 10.9560 11.0699 11.0699 13.9504 13.9504 17.7745 17.7745 k = 0.0294 0.0509 0.3675 ( 1278 PWs) bands (ev): -9.1088 -9.1088 -7.5417 -7.5417 3.9537 3.9537 4.7400 4.7400 5.2175 5.2175 6.4494 6.4494 6.7928 6.7928 6.9774 6.9774 7.3699 7.3699 7.5717 7.5717 8.2216 8.2216 10.9914 10.9914 11.0768 11.0768 13.9531 13.9531 17.7308 17.7308 k = 0.0245 0.0425 0.3675 ( 1278 PWs) bands (ev): -9.1132 -9.1132 -7.5448 -7.5448 3.9494 3.9494 4.7610 4.7610 5.2371 5.2371 6.4180 6.4180 6.8411 6.8411 7.0203 7.0203 7.3522 7.3522 7.5199 7.5199 8.1688 8.1688 11.0218 11.0218 11.0827 11.0827 13.9555 13.9555 17.6933 17.6933 k = 0.0196 0.0340 0.3675 ( 1274 PWs) bands (ev): -9.1168 -9.1168 -7.5475 -7.5475 3.9458 3.9458 4.7775 4.7775 5.2565 5.2565 6.3861 6.3861 6.8927 6.8927 7.0635 7.0635 7.3331 7.3331 7.4678 7.4678 8.1234 8.1234 11.0468 11.0468 11.0878 11.0878 13.9576 13.9576 17.6622 17.6622 k = 0.0147 0.0255 0.3675 ( 1274 PWs) bands (ev): -9.1196 -9.1196 -7.5495 -7.5495 3.9428 3.9428 4.7897 4.7897 5.2741 5.2741 6.3578 6.3578 6.9428 6.9428 7.1073 7.1073 7.3132 7.3132 7.4153 7.4153 8.0866 8.0866 11.0661 11.0661 11.0923 11.0923 13.9593 13.9593 17.6378 17.6378 k = 0.0098 0.0170 0.3675 ( 1278 PWs) bands (ev): -9.1215 -9.1215 -7.5510 -7.5510 3.9407 3.9407 4.7980 4.7980 5.2883 5.2883 6.3356 6.3356 6.9864 6.9864 7.1518 7.1518 7.2942 7.2942 7.3631 7.3631 8.0595 8.0595 11.0790 11.0790 11.0963 11.0963 13.9605 13.9605 17.6202 17.6202 k = 0.0049 0.0085 0.3675 ( 1278 PWs) bands (ev): -9.1227 -9.1227 -7.5519 -7.5519 3.9394 3.9394 4.8029 4.8029 5.2975 5.2975 6.3215 6.3215 7.0174 7.0174 7.1963 7.1963 7.2793 7.2793 7.3131 7.3131 8.0429 8.0429 11.0857 11.0857 11.1000 11.1000 13.9613 13.9613 17.6097 17.6097 k = 0.0000 0.0000 0.3675 ( 1278 PWs) bands (ev): -9.1231 -9.1231 -7.5522 -7.5522 3.9390 3.9390 4.8045 4.8045 5.3007 5.3007 6.3167 6.3167 7.0289 7.0289 7.2258 7.2258 7.2735 7.2735 7.2816 7.2816 8.0373 8.0373 11.0876 11.0876 11.1015 11.1015 13.9616 13.9616 17.6061 17.6061 k = 0.5000 0.2887 0.3675 ( 1252 PWs) bands (ev): -8.3492 -8.3492 -7.4045 -7.4045 2.9714 2.9714 4.1381 4.1381 4.4689 4.4689 5.5504 5.5504 6.7209 6.7209 8.1706 8.1706 8.3248 8.3248 8.4806 8.4806 9.2289 9.2289 10.2541 10.2541 11.2663 11.2663 16.0644 16.0644 16.5216 16.5216 k = 0.5000 0.2887 0.3579 ( 1252 PWs) bands (ev): -8.3490 -8.3490 -7.4049 -7.4049 2.9726 2.9726 4.1347 4.1347 4.4702 4.4702 5.5548 5.5548 6.7203 6.7203 8.1648 8.1648 8.3262 8.3262 8.4770 8.4770 9.2301 9.2301 10.2577 10.2577 11.2665 11.2665 16.0633 16.0633 16.5227 16.5227 k = 0.5000 0.2887 0.3482 ( 1256 PWs) bands (ev): -8.3482 -8.3482 -7.4060 -7.4060 2.9764 2.9764 4.1249 4.1249 4.4740 4.4740 5.5677 5.5677 6.7185 6.7185 8.1482 8.1482 8.3291 8.3291 8.4666 8.4666 9.2335 9.2335 10.2683 10.2683 11.2673 11.2673 16.0601 16.0601 16.5259 16.5259 k = 0.5000 0.2887 0.3385 ( 1254 PWs) bands (ev): -8.3470 -8.3470 -7.4079 -7.4079 2.9826 2.9826 4.1092 4.1092 4.4802 4.4802 5.5887 5.5887 6.7155 6.7155 8.1229 8.1229 8.3306 8.3306 8.4512 8.4512 9.2389 9.2389 10.2857 10.2857 11.2686 11.2686 16.0551 16.0551 16.5310 16.5310 k = 0.5000 0.2887 0.3289 ( 1258 PWs) bands (ev): -8.3452 -8.3452 -7.4105 -7.4105 2.9912 2.9912 4.0883 4.0883 4.4886 4.4886 5.6174 5.6174 6.7113 6.7113 8.0904 8.0904 8.3263 8.3263 8.4342 8.4342 9.2460 9.2460 10.3092 10.3092 11.2702 11.2702 16.0485 16.0485 16.5378 16.5378 k = 0.5000 0.2887 0.3192 ( 1262 PWs) bands (ev): -8.3430 -8.3430 -7.4138 -7.4138 3.0021 3.0021 4.0633 4.0633 4.4988 4.4988 5.6529 5.6529 6.7060 6.7060 8.0521 8.0521 8.3111 8.3111 8.4208 8.4208 9.2543 9.2543 10.3384 10.3384 11.2720 11.2720 16.0406 16.0406 16.5460 16.5460 k = 0.5000 0.2887 0.3095 ( 1258 PWs) bands (ev): -8.3402 -8.3402 -7.4179 -7.4179 3.0152 3.0152 4.0350 4.0350 4.5109 4.5109 5.6947 5.6947 6.6995 6.6995 8.0088 8.0088 8.2824 8.2824 8.4139 8.4139 9.2634 9.2634 10.3726 10.3726 11.2740 11.2740 16.0320 16.0320 16.5552 16.5552 k = 0.5000 0.2887 0.2998 ( 1258 PWs) bands (ev): -8.3370 -8.3370 -7.4226 -7.4226 3.0304 3.0304 4.0044 4.0044 4.5247 4.5247 5.7419 5.7419 6.6918 6.6918 7.9611 7.9611 8.2423 8.2423 8.4120 8.4120 9.2730 9.2730 10.4109 10.4109 11.2760 11.2760 16.0229 16.0229 16.5651 16.5651 k = 0.5000 0.2887 0.2902 ( 1256 PWs) bands (ev): -8.3334 -8.3334 -7.4280 -7.4280 3.0474 3.0474 3.9723 3.9723 4.5401 4.5401 5.7937 5.7937 6.6831 6.6831 7.9094 7.9094 8.1943 8.1943 8.4125 8.4125 9.2827 9.2827 10.4527 10.4527 11.2777 11.2777 16.0137 16.0137 16.5753 16.5753 k = 0.5000 0.2887 0.2805 ( 1258 PWs) bands (ev): -8.3292 -8.3292 -7.4341 -7.4341 3.0660 3.0660 3.9396 3.9396 4.5571 4.5571 5.8494 5.8494 6.6733 6.6733 7.8542 7.8542 8.1407 8.1407 8.4139 8.4139 9.2922 9.2922 10.4974 10.4974 11.2790 11.2790 16.0050 16.0050 16.5856 16.5856 k = 0.5000 0.2887 0.2708 ( 1258 PWs) bands (ev): -8.3246 -8.3246 -7.4407 -7.4407 3.0859 3.0859 3.9071 3.9071 4.5758 4.5758 5.9085 5.9085 6.6625 6.6625 7.7959 7.7959 8.0828 8.0828 8.4155 8.4155 9.3012 9.3012 10.5442 10.5442 11.2798 11.2798 15.9969 15.9969 16.5957 16.5957 k = 0.5000 0.2887 0.2611 ( 1258 PWs) bands (ev): -8.3196 -8.3196 -7.4480 -7.4480 3.1066 3.1066 3.8758 3.8758 4.5960 4.5960 5.9702 5.9702 6.6508 6.6508 7.7349 7.7349 8.0218 8.0218 8.4169 8.4169 9.3096 9.3096 10.5927 10.5927 11.2797 11.2797 15.9898 15.9898 16.6055 16.6055 k = 0.5000 0.2887 0.2515 ( 1258 PWs) bands (ev): -8.3142 -8.3142 -7.4559 -7.4559 3.1276 3.1276 3.8464 3.8464 4.6179 4.6179 6.0339 6.0339 6.6382 6.6382 7.6715 7.6715 7.9584 7.9584 8.4180 8.4180 9.3171 9.3171 10.6423 10.6423 11.2788 11.2788 15.9839 15.9839 16.6145 16.6145 k = 0.5000 0.2887 0.2418 ( 1256 PWs) bands (ev): -8.3083 -8.3083 -7.4642 -7.4642 3.1482 3.1482 3.8199 3.8199 4.6414 4.6414 6.0990 6.0990 6.6249 6.6249 7.6061 7.6061 7.8931 7.8931 8.4187 8.4187 9.3238 9.3238 10.6925 10.6925 11.2768 11.2768 15.9796 15.9796 16.6229 16.6229 k = 0.5000 0.2887 0.2321 ( 1258 PWs) bands (ev): -8.3021 -8.3021 -7.4731 -7.4731 3.1674 3.1674 3.7975 3.7975 4.6665 4.6665 6.1645 6.1645 6.6113 6.6113 7.5391 7.5391 7.8265 7.8265 8.4190 8.4190 9.3295 9.3295 10.7430 10.7430 11.2735 11.2735 15.9769 15.9769 16.6302 16.6302 k = 0.5000 0.2887 0.2225 ( 1258 PWs) bands (ev): -8.2955 -8.2955 -7.4824 -7.4824 3.1845 3.1845 3.7804 3.7804 4.6931 4.6931 6.2294 6.2294 6.5980 6.5980 7.4708 7.4708 7.7591 7.7591 8.4189 8.4189 9.3341 9.3341 10.7932 10.7932 11.2691 11.2691 15.9760 15.9760 16.6366 16.6366 k = 0.5000 0.2887 0.2128 ( 1266 PWs) bands (ev): -8.2886 -8.2886 -7.4922 -7.4922 3.1981 3.1981 3.7696 3.7696 4.7213 4.7213 6.2916 6.2916 6.5865 6.5865 7.4018 7.4018 7.6914 7.6914 8.4184 8.4184 9.3375 9.3375 10.8429 10.8429 11.2633 11.2633 15.9772 15.9772 16.6417 16.6417 k = 0.5000 0.2887 0.2031 ( 1266 PWs) bands (ev): -8.2814 -8.2814 -7.5023 -7.5023 3.2074 3.2074 3.7664 3.7664 4.7510 4.7510 6.3471 6.3471 6.5801 6.5801 7.3324 7.3324 7.6237 7.6237 8.4175 8.4175 9.3399 9.3399 10.8917 10.8917 11.2563 11.2563 15.9803 15.9803 16.6457 16.6457 k = 0.5000 0.2887 0.1934 ( 1266 PWs) bands (ev): -8.2738 -8.2738 -7.5127 -7.5127 3.2117 3.2117 3.7714 3.7714 4.7823 4.7823 6.3880 6.3880 6.5862 6.5862 7.2631 7.2631 7.5565 7.5565 8.4163 8.4163 9.3410 9.3410 10.9391 10.9391 11.2482 11.2482 15.9856 15.9856 16.6483 16.6483 k = 0.5000 0.2887 0.1838 ( 1266 PWs) bands (ev): -8.2661 -8.2661 -7.5233 -7.5233 3.2107 3.2107 3.7849 3.7849 4.8150 4.8150 6.4056 6.4056 6.6126 6.6126 7.1947 7.1947 7.4905 7.4905 8.4147 8.4147 9.3410 9.3410 10.9846 10.9846 11.2394 11.2394 15.9929 15.9929 16.6496 16.6496 k = 0.5000 0.2887 0.1741 ( 1266 PWs) bands (ev): -8.2581 -8.2581 -7.5342 -7.5342 3.2049 3.2049 3.8065 3.8065 4.8490 4.8490 6.4006 6.4006 6.6573 6.6573 7.1277 7.1277 7.4261 7.4261 8.4127 8.4127 9.3399 9.3399 11.0274 11.0274 11.2305 11.2305 16.0023 16.0023 16.6494 16.6494 k = 0.5000 0.2887 0.1644 ( 1262 PWs) bands (ev): -8.2499 -8.2499 -7.5452 -7.5452 3.1950 3.1950 3.8354 3.8354 4.8845 4.8845 6.3812 6.3812 6.7107 6.7107 7.0633 7.0633 7.3643 7.3643 8.4104 8.4104 9.3376 9.3376 11.0661 11.0661 11.2229 11.2229 16.0138 16.0138 16.6479 16.6479 k = 0.5000 0.2887 0.1548 ( 1262 PWs) bands (ev): -8.2417 -8.2417 -7.5563 -7.5563 3.1820 3.1820 3.8707 3.8707 4.9212 4.9212 6.3528 6.3528 6.7638 6.7638 7.0039 7.0039 7.3063 7.3063 8.4077 8.4077 9.3342 9.3342 11.0974 11.0974 11.2198 11.2198 16.0272 16.0272 16.6449 16.6449 k = 0.5000 0.2887 0.1451 ( 1266 PWs) bands (ev): -8.2333 -8.2333 -7.5675 -7.5675 3.1667 3.1667 3.9111 3.9111 4.9591 4.9591 6.3179 6.3179 6.8050 6.8050 6.9567 6.9567 7.2542 7.2542 8.4046 8.4046 9.3298 9.3298 11.1162 11.1162 11.2264 11.2264 16.0424 16.0424 16.6404 16.6404 k = 0.5000 0.2887 0.1354 ( 1266 PWs) bands (ev): -8.2249 -8.2249 -7.5785 -7.5785 3.1500 3.1500 3.9559 3.9559 4.9980 4.9980 6.2776 6.2776 6.8097 6.8097 6.9418 6.9418 7.2117 7.2117 8.4011 8.4011 9.3244 9.3244 11.1198 11.1198 11.2453 11.2453 16.0593 16.0593 16.6344 16.6344 k = 0.5000 0.2887 0.1257 ( 1266 PWs) bands (ev): -8.2165 -8.2165 -7.5895 -7.5895 3.1327 3.1327 4.0040 4.0040 5.0380 5.0380 6.2325 6.2325 6.7741 6.7741 6.9552 6.9552 7.1863 7.1863 8.3972 8.3972 9.3182 9.3182 11.1130 11.1130 11.2721 11.2721 16.0778 16.0778 16.6270 16.6270 k = 0.5000 0.2887 0.1161 ( 1270 PWs) bands (ev): -8.2083 -8.2083 -7.6002 -7.6002 3.1153 3.1153 4.0547 4.0547 5.0787 5.0787 6.1832 6.1832 6.7249 6.7249 6.9605 6.9605 7.1873 7.1873 8.3929 8.3929 9.3111 9.3111 11.1011 11.1011 11.3014 11.3014 16.0977 16.0977 16.6182 16.6182 k = 0.5000 0.2887 0.1064 ( 1266 PWs) bands (ev): -8.2002 -8.2002 -7.6106 -7.6106 3.0982 3.0982 4.1073 4.1073 5.1202 5.1202 6.1302 6.1302 6.6729 6.6729 6.9472 6.9472 7.2142 7.2142 8.3882 8.3882 9.3034 9.3034 11.0870 11.0870 11.3306 11.3306 16.1188 16.1188 16.6080 16.6080 k = 0.5000 0.2887 0.0967 ( 1266 PWs) bands (ev): -8.1924 -8.1924 -7.6206 -7.6206 3.0819 3.0819 4.1610 4.1610 5.1621 5.1621 6.0743 6.0743 6.6208 6.6208 6.9234 6.9234 7.2557 7.2557 8.3832 8.3832 9.2953 9.2953 11.0719 11.0719 11.3585 11.3585 16.1409 16.1409 16.5964 16.5964 k = 0.5000 0.2887 0.0870 ( 1266 PWs) bands (ev): -8.1849 -8.1849 -7.6301 -7.6301 3.0665 3.0665 4.2151 4.2151 5.2043 5.2043 6.0165 6.0165 6.5697 6.5697 6.8970 6.8970 7.3027 7.3027 8.3777 8.3777 9.2868 9.2868 11.0567 11.0567 11.3845 11.3845 16.1638 16.1638 16.5836 16.5836 k = 0.5000 0.2887 0.0774 ( 1270 PWs) bands (ev): -8.1778 -8.1778 -7.6390 -7.6390 3.0523 3.0523 4.2687 4.2687 5.2464 5.2464 5.9575 5.9575 6.5199 6.5199 6.8716 6.8716 7.3503 7.3503 8.3721 8.3721 9.2783 9.2783 11.0420 11.0420 11.4082 11.4082 16.1872 16.1872 16.5695 16.5695 k = 0.5000 0.2887 0.0677 ( 1270 PWs) bands (ev): -8.1712 -8.1712 -7.6472 -7.6472 3.0394 3.0394 4.3210 4.3210 5.2882 5.2882 5.8985 5.8985 6.4722 6.4722 6.8488 6.8488 7.3962 7.3962 8.3662 8.3662 9.2699 9.2699 11.0282 11.0282 11.4295 11.4295 16.2110 16.2110 16.5544 16.5544 k = 0.5000 0.2887 0.0580 ( 1278 PWs) bands (ev): -8.1653 -8.1653 -7.6546 -7.6546 3.0281 3.0281 4.3710 4.3710 5.3292 5.3292 5.8405 5.8405 6.4272 6.4272 6.8291 6.8291 7.4388 7.4388 8.3603 8.3603 9.2619 9.2619 11.0155 11.0155 11.4481 11.4481 16.2348 16.2348 16.5384 16.5384 k = 0.5000 0.2887 0.0484 ( 1274 PWs) bands (ev): -8.1600 -8.1600 -7.6611 -7.6611 3.0183 3.0183 4.4173 4.4173 5.3693 5.3693 5.7846 5.7846 6.3859 6.3859 6.8127 6.8127 7.4769 7.4769 8.3547 8.3547 9.2545 9.2545 11.0043 11.0043 11.4641 11.4641 16.2583 16.2583 16.5217 16.5217 k = 0.5000 0.2887 0.0387 ( 1270 PWs) bands (ev): -8.1556 -8.1556 -7.6666 -7.6666 3.0102 3.0102 4.4587 4.4587 5.4081 5.4081 5.7316 5.7316 6.3495 6.3495 6.7995 6.7995 7.5095 7.5095 8.3494 8.3494 9.2481 9.2481 10.9949 10.9949 11.4772 11.4772 16.2809 16.2809 16.5048 16.5048 k = 0.5000 0.2887 0.0290 ( 1270 PWs) bands (ev): -8.1520 -8.1520 -7.6710 -7.6710 3.0039 3.0039 4.4933 4.4933 5.4453 5.4453 5.6824 5.6824 6.3192 6.3192 6.7894 6.7894 7.5359 7.5359 8.3449 8.3449 9.2428 9.2428 10.9873 10.9873 11.4875 11.4875 16.3020 16.3020 16.4882 16.4882 k = 0.5000 0.2887 0.0193 ( 1268 PWs) bands (ev): -8.1494 -8.1494 -7.6741 -7.6741 2.9993 2.9993 4.5197 4.5197 5.4810 5.4810 5.6376 5.6376 6.2963 6.2963 6.7823 6.7823 7.5553 7.5553 8.3414 8.3414 9.2389 9.2389 10.9818 10.9818 11.4949 11.4949 16.3202 16.3202 16.4733 16.4733 k = 0.5000 0.2887 0.0097 ( 1264 PWs) bands (ev): -8.1478 -8.1478 -7.6760 -7.6760 2.9966 2.9966 4.5363 4.5363 5.5150 5.5150 5.5980 5.5980 6.2820 6.2820 6.7781 6.7781 7.5672 7.5672 8.3392 8.3392 9.2364 9.2364 10.9784 10.9784 11.4993 11.4993 16.3333 16.3333 16.4622 16.4622 k = 0.5000 0.2887-0.0000 ( 1264 PWs) bands (ev): -8.1473 -8.1473 -7.6767 -7.6767 2.9957 2.9957 4.5419 4.5419 5.5377 5.5377 5.5734 5.5734 6.2771 6.2771 6.7767 6.7767 7.5712 7.5712 8.3384 8.3384 9.2356 9.2356 10.9773 10.9773 11.5008 11.5008 16.3383 16.3383 16.4579 16.4579 k = 0.3333 0.5774-0.0000 ( 1236 PWs) bands (ev): -7.8558 -7.8558 -7.8234 -7.8234 3.6294 3.6294 3.8669 3.8669 3.8976 3.8976 5.8235 5.8235 6.2033 6.2033 8.0351 8.0351 8.1397 8.1397 9.2003 9.2003 9.5666 9.5666 10.2112 10.2112 10.3595 10.3595 16.3138 16.3138 18.7191 18.7191 k = 0.3333 0.5774 0.0097 ( 1236 PWs) bands (ev): -7.8558 -7.8558 -7.8234 -7.8234 3.6302 3.6302 3.8678 3.8678 3.8978 3.8978 5.8236 5.8236 6.2024 6.2024 8.0314 8.0314 8.1414 8.1414 9.1959 9.1959 9.5617 9.5617 10.2171 10.2171 10.3642 10.3642 16.3149 16.3149 18.7191 18.7191 k = 0.3333 0.5774 0.0193 ( 1236 PWs) bands (ev): -7.8558 -7.8558 -7.8235 -7.8235 3.6328 3.6328 3.8703 3.8703 3.8985 3.8985 5.8239 5.8239 6.1999 6.1999 8.0209 8.0209 8.1458 8.1458 9.1829 9.1829 9.5476 9.5476 10.2345 10.2345 10.3780 10.3780 16.3182 16.3182 18.7189 18.7189 k = 0.3333 0.5774 0.0290 ( 1236 PWs) bands (ev): -7.8559 -7.8559 -7.8236 -7.8236 3.6370 3.6370 3.8745 3.8745 3.8996 3.8996 5.8243 5.8243 6.1956 6.1956 8.0046 8.0046 8.1519 8.1519 9.1620 9.1620 9.5256 9.5256 10.2618 10.2618 10.4002 10.4002 16.3236 16.3236 18.7187 18.7187 k = 0.3333 0.5774 0.0387 ( 1236 PWs) bands (ev): -7.8560 -7.8560 -7.8237 -7.8237 3.6429 3.6429 3.8804 3.8804 3.9012 3.9012 5.8250 5.8250 6.1897 6.1897 7.9836 7.9836 8.1586 8.1586 9.1341 9.1341 9.4975 9.4975 10.2972 10.2972 10.4300 10.4300 16.3312 16.3312 18.7183 18.7183 k = 0.3333 0.5774 0.0484 ( 1242 PWs) bands (ev): -7.8560 -7.8560 -7.8239 -7.8239 3.6502 3.6502 3.8881 3.8881 3.9031 3.9031 5.8258 5.8258 6.1821 6.1821 7.9585 7.9585 8.1655 8.1655 9.1003 9.1003 9.4652 9.4652 10.3390 10.3390 10.4663 10.4663 16.3408 16.3408 18.7179 18.7179 k = 0.3333 0.5774 0.0580 ( 1242 PWs) bands (ev): -7.8562 -7.8562 -7.8241 -7.8241 3.6589 3.6589 3.8978 3.8978 3.9055 3.9055 5.8269 5.8269 6.1730 6.1730 7.9296 7.9296 8.1722 8.1722 9.0617 9.0617 9.4301 9.4301 10.3857 10.3857 10.5078 10.5078 16.3524 16.3524 18.7173 18.7173 k = 0.3333 0.5774 0.0677 ( 1242 PWs) bands (ev): -7.8563 -7.8563 -7.8244 -7.8244 3.6688 3.6688 3.9084 3.9084 3.9096 3.9096 5.8280 5.8280 6.1622 6.1622 7.8972 7.8972 8.1787 8.1787 9.0193 9.0193 9.3932 9.3932 10.4360 10.4360 10.5537 10.5537 16.3659 16.3659 18.7167 18.7167 k = 0.3333 0.5774 0.0774 ( 1242 PWs) bands (ev): -7.8564 -7.8564 -7.8247 -7.8247 3.6799 3.6799 3.9116 3.9116 3.9235 3.9235 5.8293 5.8293 6.1500 6.1500 7.8612 7.8612 8.1850 8.1850 8.9740 8.9740 9.3556 9.3556 10.4889 10.4889 10.6029 10.6029 16.3812 16.3812 18.7159 18.7159 k = 0.3333 0.5774 0.0870 ( 1236 PWs) bands (ev): -7.8566 -7.8566 -7.8251 -7.8251 3.6918 3.6918 3.9152 3.9152 3.9397 3.9397 5.8308 5.8308 6.1362 6.1362 7.8218 7.8218 8.1909 8.1909 8.9265 8.9265 9.3179 9.3179 10.5439 10.5439 10.6548 10.6548 16.3981 16.3981 18.7151 18.7151 k = 0.3333 0.5774 0.0967 ( 1236 PWs) bands (ev): -7.8568 -7.8568 -7.8254 -7.8254 3.7044 3.7044 3.9192 3.9192 3.9583 3.9583 5.8324 5.8324 6.1211 6.1211 7.7791 7.7791 8.1967 8.1967 8.8776 8.8776 9.2805 9.2805 10.6002 10.6002 10.7085 10.7085 16.4166 16.4166 18.7142 18.7142 k = 0.3333 0.5774 0.1064 ( 1245 PWs) bands (ev): -7.8569 -7.8569 -7.8258 -7.8258 3.7176 3.7176 3.9235 3.9235 3.9794 3.9794 5.8340 5.8340 6.1046 6.1046 7.7331 7.7331 8.2023 8.2023 8.8277 8.8277 9.2439 9.2439 10.6575 10.6575 10.7636 10.7636 16.4365 16.4365 18.7132 18.7132 k = 0.3333 0.5774 0.1161 ( 1245 PWs) bands (ev): -7.8571 -7.8571 -7.8263 -7.8263 3.7312 3.7312 3.9282 3.9282 4.0033 4.0033 5.8357 5.8357 6.0869 6.0869 7.6840 7.6840 8.2077 8.2077 8.7773 8.7773 9.2082 9.2082 10.7153 10.7153 10.8195 10.8195 16.4576 16.4576 18.7122 18.7122 k = 0.3333 0.5774 0.1257 ( 1248 PWs) bands (ev): -7.8574 -7.8574 -7.8267 -7.8267 3.7450 3.7450 3.9331 3.9331 4.0298 4.0298 5.8375 5.8375 6.0680 6.0680 7.6319 7.6319 8.2131 8.2131 8.7269 8.7269 9.1738 9.1738 10.7732 10.7732 10.8758 10.8758 16.4799 16.4799 18.7111 18.7111 k = 0.3333 0.5774 0.1354 ( 1248 PWs) bands (ev): -7.8576 -7.8576 -7.8272 -7.8272 3.7590 3.7590 3.9383 3.9383 4.0590 4.0590 5.8393 5.8393 6.0481 6.0481 7.5770 7.5770 8.2183 8.2183 8.6768 8.6768 9.1407 9.1407 10.8311 10.8311 10.9321 10.9321 16.5030 16.5030 18.7100 18.7100 k = 0.3333 0.5774 0.1451 ( 1248 PWs) bands (ev): -7.8578 -7.8578 -7.8277 -7.8277 3.7730 3.7730 3.9438 3.9438 4.0910 4.0910 5.8411 5.8411 6.0271 6.0271 7.5193 7.5193 8.2235 8.2235 8.6272 8.6272 9.1091 9.1091 10.8886 10.8886 10.9881 10.9881 16.5270 16.5270 18.7088 18.7088 k = 0.3333 0.5774 0.1548 ( 1248 PWs) bands (ev): -7.8581 -7.8581 -7.8282 -7.8282 3.7871 3.7871 3.9495 3.9495 4.1257 4.1257 5.8429 5.8429 6.0054 6.0054 7.4591 7.4591 8.2286 8.2286 8.5784 8.5784 9.0790 9.0790 10.9454 10.9454 11.0435 11.0435 16.5516 16.5516 18.7075 18.7075 k = 0.3333 0.5774 0.1644 ( 1248 PWs) bands (ev): -7.8583 -7.8583 -7.8287 -7.8287 3.8011 3.8011 3.9554 3.9554 4.1630 4.1630 5.8447 5.8447 5.9829 5.9829 7.3966 7.3966 8.2336 8.2336 8.5306 8.5306 9.0505 9.0505 11.0014 11.0014 11.0981 11.0981 16.5766 16.5766 18.7063 18.7063 k = 0.3333 0.5774 0.1741 ( 1248 PWs) bands (ev): -7.8585 -7.8585 -7.8292 -7.8292 3.8150 3.8150 3.9614 3.9614 4.2028 4.2028 5.8464 5.8464 5.9598 5.9598 7.3319 7.3319 8.2386 8.2386 8.4841 8.4841 9.0237 9.0237 11.0564 11.0564 11.1516 11.1516 16.6019 16.6019 18.7050 18.7050 k = 0.3333 0.5774 0.1838 ( 1248 PWs) bands (ev): -7.8588 -7.8588 -7.8297 -7.8297 3.8287 3.8287 3.9675 3.9675 4.2451 4.2451 5.8481 5.8481 5.9362 5.9362 7.2653 7.2653 8.2435 8.2435 8.4389 8.4389 8.9984 8.9984 11.1101 11.1101 11.2038 11.2038 16.6273 16.6273 18.7036 18.7036 k = 0.3333 0.5774 0.1934 ( 1248 PWs) bands (ev): -7.8590 -7.8590 -7.8303 -7.8303 3.8424 3.8424 3.9737 3.9737 4.2897 4.2897 5.8497 5.8497 5.9123 5.9123 7.1971 7.1971 8.2483 8.2483 8.3953 8.3953 8.9748 8.9748 11.1623 11.1623 11.2545 11.2545 16.6527 16.6527 18.7023 18.7023 k = 0.3333 0.5774 0.2031 ( 1242 PWs) bands (ev): -7.8593 -7.8593 -7.8308 -7.8308 3.8558 3.8558 3.9799 3.9799 4.3364 4.3364 5.8512 5.8512 5.8881 5.8881 7.1274 7.1274 8.2531 8.2531 8.3534 8.3534 8.9528 8.9528 11.2129 11.2129 11.3035 11.3035 16.6778 16.6778 18.7009 18.7009 k = 0.3333 0.5774 0.2128 ( 1242 PWs) bands (ev): -7.8595 -7.8595 -7.8313 -7.8313 3.8691 3.8691 3.9862 3.9862 4.3852 4.3852 5.8526 5.8526 5.8639 5.8639 7.0567 7.0567 8.2577 8.2577 8.3132 8.3132 8.9323 8.9323 11.2616 11.2616 11.3506 11.3506 16.7026 16.7026 18.6996 18.6996 k = 0.3333 0.5774 0.2225 ( 1236 PWs) bands (ev): -7.8597 -7.8597 -7.8318 -7.8318 3.8821 3.8821 3.9923 3.9923 4.4358 4.4358 5.8397 5.8397 5.8539 5.8539 6.9851 6.9851 8.2622 8.2622 8.2750 8.2750 8.9133 8.9133 11.3084 11.3084 11.3957 11.3957 16.7267 16.7267 18.6983 18.6983 k = 0.3333 0.5774 0.2321 ( 1239 PWs) bands (ev): -7.8600 -7.8600 -7.8323 -7.8323 3.8948 3.8948 3.9983 3.9983 4.4881 4.4881 5.8157 5.8157 5.8551 5.8551 6.9129 6.9129 8.2389 8.2389 8.2665 8.2665 8.8959 8.8959 11.3530 11.3530 11.4386 11.4386 16.7502 16.7502 18.6969 18.6969 k = 0.3333 0.5774 0.2418 ( 1245 PWs) bands (ev): -7.8602 -7.8602 -7.8328 -7.8328 3.9071 3.9071 4.0042 4.0042 4.5418 4.5418 5.7920 5.7920 5.8562 5.8562 6.8406 6.8406 8.2048 8.2048 8.2707 8.2707 8.8799 8.8799 11.3952 11.3952 11.4792 11.4792 16.7728 16.7728 18.6956 18.6956 k = 0.3333 0.5774 0.2515 ( 1245 PWs) bands (ev): -7.8604 -7.8604 -7.8332 -7.8332 3.9190 3.9190 4.0099 4.0099 4.5967 4.5967 5.7688 5.7688 5.8572 5.8572 6.7685 6.7685 8.1729 8.1729 8.2747 8.2747 8.8652 8.8652 11.4350 11.4350 11.5173 11.5173 16.7945 16.7945 18.6943 18.6943 k = 0.3333 0.5774 0.2611 ( 1254 PWs) bands (ev): -7.8606 -7.8606 -7.8336 -7.8336 3.9303 3.9303 4.0153 4.0153 4.6525 4.6525 5.7460 5.7460 5.8580 5.8580 6.6971 6.6971 8.1433 8.1433 8.2785 8.2785 8.8520 8.8520 11.4721 11.4721 11.5528 11.5528 16.8149 16.8149 18.6931 18.6931 k = 0.3333 0.5774 0.2708 ( 1254 PWs) bands (ev): -7.8608 -7.8608 -7.8340 -7.8340 3.9411 3.9411 4.0204 4.0204 4.7090 4.7090 5.7238 5.7238 5.8588 5.8588 6.6268 6.6268 8.1161 8.1161 8.2820 8.2820 8.8400 8.8400 11.5065 11.5065 11.5857 11.5857 16.8341 16.8341 18.6919 18.6919 k = 0.3333 0.5774 0.2805 ( 1254 PWs) bands (ev): -7.8610 -7.8610 -7.8344 -7.8344 3.9512 3.9512 4.0253 4.0253 4.7656 4.7656 5.7023 5.7023 5.8594 5.8594 6.5583 6.5583 8.0913 8.0913 8.2853 8.2853 8.8293 8.8293 11.5381 11.5381 11.6157 11.6157 16.8519 16.8519 18.6908 18.6908 k = 0.3333 0.5774 0.2902 ( 1254 PWs) bands (ev): -7.8611 -7.8611 -7.8348 -7.8348 3.9606 3.9606 4.0297 4.0297 4.8218 4.8218 5.6815 5.6815 5.8600 5.8600 6.4923 6.4923 8.0690 8.0690 8.2883 8.2883 8.8199 8.8199 11.5666 11.5666 11.6428 11.6428 16.8682 16.8682 18.6897 18.6897 k = 0.3333 0.5774 0.2998 ( 1254 PWs) bands (ev): -7.8613 -7.8613 -7.8351 -7.8351 3.9691 3.9691 4.0337 4.0337 4.8770 4.8770 5.6614 5.6614 5.8604 5.8604 6.4295 6.4295 8.0491 8.0491 8.2910 8.2910 8.8116 8.8116 11.5921 11.5921 11.6670 11.6670 16.8828 16.8828 18.6888 18.6888 k = 0.3333 0.5774 0.3095 ( 1251 PWs) bands (ev): -7.8614 -7.8614 -7.8353 -7.8353 3.9766 3.9766 4.0373 4.0373 4.9304 4.9304 5.6421 5.6421 5.8608 5.8608 6.3711 6.3711 8.0319 8.0319 8.2934 8.2934 8.8045 8.8045 11.6143 11.6143 11.6881 11.6881 16.8957 16.8957 18.6879 18.6879 k = 0.3333 0.5774 0.3192 ( 1251 PWs) bands (ev): -7.8615 -7.8615 -7.8356 -7.8356 3.9832 3.9832 4.0403 4.0403 4.9809 4.9809 5.6238 5.6238 5.8610 5.8610 6.3181 6.3181 8.0172 8.0172 8.2955 8.2955 8.7986 8.7986 11.6333 11.6333 11.7061 11.7061 16.9068 16.9068 18.6872 18.6872 k = 0.3333 0.5774 0.3289 ( 1248 PWs) bands (ev): -7.8616 -7.8616 -7.8358 -7.8358 3.9887 3.9887 4.0429 4.0429 5.0270 5.0270 5.6066 5.6066 5.8613 5.8613 6.2718 6.2718 8.0052 8.0052 8.2972 8.2972 8.7938 8.7938 11.6489 11.6489 11.7209 11.7209 16.9159 16.9159 18.6866 18.6866 k = 0.3333 0.5774 0.3385 ( 1248 PWs) bands (ev): -7.8617 -7.8617 -7.8359 -7.8359 3.9930 3.9930 4.0449 4.0449 5.0668 5.0668 5.5911 5.5911 5.8614 5.8614 6.2338 6.2338 7.9958 7.9958 8.2985 8.2985 8.7900 8.7900 11.6611 11.6611 11.7324 11.7324 16.9231 16.9231 18.6861 18.6861 k = 0.3333 0.5774 0.3482 ( 1248 PWs) bands (ev): -7.8617 -7.8617 -7.8360 -7.8360 3.9962 3.9962 4.0464 4.0464 5.0981 5.0981 5.5785 5.5785 5.8615 5.8615 6.2054 6.2054 7.9891 7.9891 8.2995 8.2995 8.7874 8.7874 11.6699 11.6699 11.7407 11.7407 16.9283 16.9283 18.6857 18.6857 k = 0.3333 0.5774 0.3579 ( 1242 PWs) bands (ev): -7.8617 -7.8617 -7.8361 -7.8361 3.9981 3.9981 4.0473 4.0473 5.1183 5.1183 5.5700 5.5700 5.8616 5.8616 6.1877 6.1877 7.9850 7.9850 8.3001 8.3001 8.7858 8.7858 11.6751 11.6751 11.7456 11.7456 16.9314 16.9314 18.6855 18.6855 k = 0.3333 0.5774 0.3675 ( 1242 PWs) bands (ev): -7.8618 -7.8618 -7.8361 -7.8361 3.9987 3.9987 4.0475 4.0475 5.1253 5.1253 5.5670 5.5670 5.8616 5.8616 6.1818 6.1818 7.9837 7.9837 8.3003 8.3003 8.7852 8.7852 11.6769 11.6769 11.7473 11.7473 16.9325 16.9325 18.6854 18.6854 Writing output data file PtO2.save init_run : 0.13s CPU 0.37s WALL ( 1 calls) electrons : 55.50s CPU 57.14s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 55.49s CPU 57.13s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.02s WALL ( 445 calls) cegterg : 51.89s CPU 53.07s WALL ( 590 calls) Called by sum_band: Called by *egterg: h_psi : 23.82s CPU 24.61s WALL ( 8546 calls) s_psi : 1.04s CPU 1.01s WALL ( 8546 calls) g_psi : 0.06s CPU 0.07s WALL ( 7511 calls) cdiaghg : 24.96s CPU 25.46s WALL ( 7956 calls) cegterg:over : 1.92s CPU 1.89s WALL ( 7511 calls) cegterg:upda : 1.27s CPU 1.28s WALL ( 7511 calls) cegterg:last : 0.81s CPU 0.83s WALL ( 1889 calls) cdiaghg:chol : 1.29s CPU 1.28s WALL ( 7956 calls) cdiaghg:inve : 0.55s CPU 0.55s WALL ( 7956 calls) cdiaghg:para : 1.46s CPU 1.54s WALL ( 15912 calls) Called by h_psi: h_psi:vloc : 21.31s CPU 22.03s WALL ( 8546 calls) h_psi:vnl : 2.47s CPU 2.54s WALL ( 8546 calls) add_vuspsi : 1.27s CPU 1.34s WALL ( 8546 calls) General routines calbec : 1.18s CPU 1.18s WALL ( 8546 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 19.68s CPU 20.41s WALL ( 660588 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.13s WALL ( 890 calls) Parallel routines fft_scatter : 10.97s CPU 11.40s WALL ( 660611 calls) PWSCF : 1m 3.90s CPU 1m16.38s WALL This run was terminated on: 20:46:30 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=