Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:55:25 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: ./NiO2.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 21 12 3 711 308 51 Max 22 13 4 716 323 58 Sum 769 439 139 25669 11289 1983 bravais-lattice index = 14 lattice parameter (alat) = 5.8846 a.u. unit-cell volume = 261.6521 (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 = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.884607 celldm(2)= 1.000000 celldm(3)= 1.482659 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 1.482659 ) 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 0.674464 ) 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 Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Ni 10.00 58.69340 Ni( 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= 436 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022936 k( 2) = ( 0.0084746 0.0048928 -0.0000000), wk = 0.0022936 k( 3) = ( 0.0169491 0.0097856 -0.0000000), wk = 0.0022936 k( 4) = ( 0.0254237 0.0146784 -0.0000000), wk = 0.0022936 k( 5) = ( 0.0338983 0.0195712 -0.0000000), wk = 0.0022936 k( 6) = ( 0.0423729 0.0244640 -0.0000000), wk = 0.0022936 k( 7) = ( 0.0508475 0.0293568 -0.0000000), wk = 0.0022936 k( 8) = ( 0.0593220 0.0342496 -0.0000000), wk = 0.0022936 k( 9) = ( 0.0677966 0.0391424 -0.0000000), wk = 0.0022936 k( 10) = ( 0.0762712 0.0440352 -0.0000000), wk = 0.0022936 k( 11) = ( 0.0847458 0.0489280 -0.0000000), wk = 0.0022936 k( 12) = ( 0.0932203 0.0538208 -0.0000000), wk = 0.0022936 k( 13) = ( 0.1016949 0.0587136 -0.0000000), wk = 0.0022936 k( 14) = ( 0.1101695 0.0636064 -0.0000000), wk = 0.0022936 k( 15) = ( 0.1186441 0.0684992 -0.0000000), wk = 0.0022936 k( 16) = ( 0.1271186 0.0733920 -0.0000000), wk = 0.0022936 k( 17) = ( 0.1355932 0.0782848 -0.0000000), wk = 0.0022936 k( 18) = ( 0.1440678 0.0831776 -0.0000000), wk = 0.0022936 k( 19) = ( 0.1525424 0.0880704 -0.0000000), wk = 0.0022936 k( 20) = ( 0.1610169 0.0929632 -0.0000000), wk = 0.0022936 k( 21) = ( 0.1694915 0.0978560 -0.0000000), wk = 0.0022936 k( 22) = ( 0.1779661 0.1027488 -0.0000000), wk = 0.0022936 k( 23) = ( 0.1864407 0.1076416 -0.0000000), wk = 0.0022936 k( 24) = ( 0.1949153 0.1125344 -0.0000000), wk = 0.0022936 k( 25) = ( 0.2033898 0.1174272 -0.0000000), wk = 0.0022936 k( 26) = ( 0.2118644 0.1223200 -0.0000000), wk = 0.0022936 k( 27) = ( 0.2203390 0.1272128 -0.0000000), wk = 0.0022936 k( 28) = ( 0.2288136 0.1321056 -0.0000000), wk = 0.0022936 k( 29) = ( 0.2372881 0.1369984 -0.0000000), wk = 0.0022936 k( 30) = ( 0.2457627 0.1418912 -0.0000000), wk = 0.0022936 k( 31) = ( 0.2542373 0.1467840 -0.0000000), wk = 0.0022936 k( 32) = ( 0.2627119 0.1516768 -0.0000000), wk = 0.0022936 k( 33) = ( 0.2711864 0.1565696 -0.0000000), wk = 0.0022936 k( 34) = ( 0.2796610 0.1614624 -0.0000000), wk = 0.0022936 k( 35) = ( 0.2881356 0.1663552 -0.0000000), wk = 0.0022936 k( 36) = ( 0.2966102 0.1712480 -0.0000000), wk = 0.0022936 k( 37) = ( 0.3050848 0.1761408 -0.0000000), wk = 0.0022936 k( 38) = ( 0.3135593 0.1810336 -0.0000000), wk = 0.0022936 k( 39) = ( 0.3220339 0.1859264 -0.0000000), wk = 0.0022936 k( 40) = ( 0.3305085 0.1908192 -0.0000000), wk = 0.0022936 k( 41) = ( 0.3389831 0.1957120 -0.0000000), wk = 0.0022936 k( 42) = ( 0.3474576 0.2006048 -0.0000000), wk = 0.0022936 k( 43) = ( 0.3559322 0.2054976 -0.0000000), wk = 0.0022936 k( 44) = ( 0.3644068 0.2103904 -0.0000000), wk = 0.0022936 k( 45) = ( 0.3728814 0.2152832 -0.0000000), wk = 0.0022936 k( 46) = ( 0.3813559 0.2201759 -0.0000000), wk = 0.0022936 k( 47) = ( 0.3898305 0.2250687 -0.0000000), wk = 0.0022936 k( 48) = ( 0.3983051 0.2299615 -0.0000000), wk = 0.0022936 k( 49) = ( 0.4067797 0.2348543 -0.0000000), wk = 0.0022936 k( 50) = ( 0.4152542 0.2397471 -0.0000000), wk = 0.0022936 k( 51) = ( 0.4237288 0.2446399 -0.0000000), wk = 0.0022936 k( 52) = ( 0.4322034 0.2495327 -0.0000000), wk = 0.0022936 k( 53) = ( 0.4406780 0.2544255 -0.0000000), wk = 0.0022936 k( 54) = ( 0.4491525 0.2593183 -0.0000000), wk = 0.0022936 k( 55) = ( 0.4576271 0.2642111 -0.0000000), wk = 0.0022936 k( 56) = ( 0.4661017 0.2691039 -0.0000000), wk = 0.0022936 k( 57) = ( 0.4745763 0.2739967 -0.0000000), wk = 0.0022936 k( 58) = ( 0.4830508 0.2788895 -0.0000000), wk = 0.0022936 k( 59) = ( 0.4915254 0.2837823 -0.0000000), wk = 0.0022936 k( 60) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0022936 k( 61) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0022936 k( 62) = ( 0.4950980 0.2971656 -0.0000000), wk = 0.0022936 k( 63) = ( 0.4901961 0.3056560 -0.0000000), wk = 0.0022936 k( 64) = ( 0.4852941 0.3141465 -0.0000000), wk = 0.0022936 k( 65) = ( 0.4803922 0.3226369 -0.0000000), wk = 0.0022936 k( 66) = ( 0.4754902 0.3311274 -0.0000000), wk = 0.0022936 k( 67) = ( 0.4705882 0.3396178 -0.0000000), wk = 0.0022936 k( 68) = ( 0.4656863 0.3481082 -0.0000000), wk = 0.0022936 k( 69) = ( 0.4607843 0.3565987 -0.0000000), wk = 0.0022936 k( 70) = ( 0.4558823 0.3650891 -0.0000000), wk = 0.0022936 k( 71) = ( 0.4509804 0.3735796 -0.0000000), wk = 0.0022936 k( 72) = ( 0.4460784 0.3820700 -0.0000000), wk = 0.0022936 k( 73) = ( 0.4411765 0.3905605 -0.0000000), wk = 0.0022936 k( 74) = ( 0.4362745 0.3990509 -0.0000000), wk = 0.0022936 k( 75) = ( 0.4313726 0.4075414 -0.0000000), wk = 0.0022936 k( 76) = ( 0.4264706 0.4160318 -0.0000000), wk = 0.0022936 k( 77) = ( 0.4215686 0.4245223 -0.0000000), wk = 0.0022936 k( 78) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0022936 k( 79) = ( 0.4117647 0.4415032 -0.0000000), wk = 0.0022936 k( 80) = ( 0.4068627 0.4499936 -0.0000000), wk = 0.0022936 k( 81) = ( 0.4019608 0.4584840 -0.0000000), wk = 0.0022936 k( 82) = ( 0.3970588 0.4669745 -0.0000000), wk = 0.0022936 k( 83) = ( 0.3921569 0.4754649 -0.0000000), wk = 0.0022936 k( 84) = ( 0.3872549 0.4839554 -0.0000000), wk = 0.0022936 k( 85) = ( 0.3823529 0.4924458 -0.0000000), wk = 0.0022936 k( 86) = ( 0.3774510 0.5009363 -0.0000000), wk = 0.0022936 k( 87) = ( 0.3725490 0.5094267 -0.0000000), wk = 0.0022936 k( 88) = ( 0.3676471 0.5179172 -0.0000000), wk = 0.0022936 k( 89) = ( 0.3627451 0.5264076 -0.0000000), wk = 0.0022936 k( 90) = ( 0.3578431 0.5348981 -0.0000000), wk = 0.0022936 k( 91) = ( 0.3529412 0.5433885 -0.0000000), wk = 0.0022936 k( 92) = ( 0.3480392 0.5518789 -0.0000000), wk = 0.0022936 k( 93) = ( 0.3431373 0.5603694 -0.0000000), wk = 0.0022936 k( 94) = ( 0.3382353 0.5688598 -0.0000000), wk = 0.0022936 k( 95) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0022936 k( 96) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0022936 k( 97) = ( 0.3284314 0.5688598 -0.0000000), wk = 0.0022936 k( 98) = ( 0.3235294 0.5603694 -0.0000000), wk = 0.0022936 k( 99) = ( 0.3186274 0.5518789 -0.0000000), wk = 0.0022936 k( 100) = ( 0.3137255 0.5433885 -0.0000000), wk = 0.0022936 k( 101) = ( 0.3088235 0.5348980 -0.0000000), wk = 0.0022936 k( 102) = ( 0.3039216 0.5264076 -0.0000000), wk = 0.0022936 k( 103) = ( 0.2990196 0.5179172 -0.0000000), wk = 0.0022936 k( 104) = ( 0.2941177 0.5094267 -0.0000000), wk = 0.0022936 k( 105) = ( 0.2892157 0.5009363 -0.0000000), wk = 0.0022936 k( 106) = ( 0.2843137 0.4924458 -0.0000000), wk = 0.0022936 k( 107) = ( 0.2794118 0.4839554 -0.0000000), wk = 0.0022936 k( 108) = ( 0.2745098 0.4754649 -0.0000000), wk = 0.0022936 k( 109) = ( 0.2696078 0.4669745 -0.0000000), wk = 0.0022936 k( 110) = ( 0.2647059 0.4584840 -0.0000000), wk = 0.0022936 k( 111) = ( 0.2598039 0.4499936 -0.0000000), wk = 0.0022936 k( 112) = ( 0.2549020 0.4415031 -0.0000000), wk = 0.0022936 k( 113) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0022936 k( 114) = ( 0.2450980 0.4245223 -0.0000000), wk = 0.0022936 k( 115) = ( 0.2401961 0.4160318 -0.0000000), wk = 0.0022936 k( 116) = ( 0.2352941 0.4075414 -0.0000000), wk = 0.0022936 k( 117) = ( 0.2303922 0.3990509 -0.0000000), wk = 0.0022936 k( 118) = ( 0.2254902 0.3905605 -0.0000000), wk = 0.0022936 k( 119) = ( 0.2205882 0.3820700 -0.0000000), wk = 0.0022936 k( 120) = ( 0.2156863 0.3735796 -0.0000000), wk = 0.0022936 k( 121) = ( 0.2107843 0.3650891 -0.0000000), wk = 0.0022936 k( 122) = ( 0.2058823 0.3565987 -0.0000000), wk = 0.0022936 k( 123) = ( 0.2009804 0.3481082 -0.0000000), wk = 0.0022936 k( 124) = ( 0.1960784 0.3396178 -0.0000000), wk = 0.0022936 k( 125) = ( 0.1911765 0.3311274 -0.0000000), wk = 0.0022936 k( 126) = ( 0.1862745 0.3226369 -0.0000000), wk = 0.0022936 k( 127) = ( 0.1813725 0.3141465 -0.0000000), wk = 0.0022936 k( 128) = ( 0.1764706 0.3056560 -0.0000000), wk = 0.0022936 k( 129) = ( 0.1715686 0.2971656 -0.0000000), wk = 0.0022936 k( 130) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0022936 k( 131) = ( 0.1617647 0.2801847 -0.0000000), wk = 0.0022936 k( 132) = ( 0.1568627 0.2716943 -0.0000000), wk = 0.0022936 k( 133) = ( 0.1519608 0.2632038 -0.0000000), wk = 0.0022936 k( 134) = ( 0.1470588 0.2547133 -0.0000000), wk = 0.0022936 k( 135) = ( 0.1421569 0.2462229 -0.0000000), wk = 0.0022936 k( 136) = ( 0.1372549 0.2377325 -0.0000000), wk = 0.0022936 k( 137) = ( 0.1323529 0.2292420 -0.0000000), wk = 0.0022936 k( 138) = ( 0.1274510 0.2207516 -0.0000000), wk = 0.0022936 k( 139) = ( 0.1225490 0.2122611 -0.0000000), wk = 0.0022936 k( 140) = ( 0.1176471 0.2037707 -0.0000000), wk = 0.0022936 k( 141) = ( 0.1127451 0.1952802 -0.0000000), wk = 0.0022936 k( 142) = ( 0.1078431 0.1867898 -0.0000000), wk = 0.0022936 k( 143) = ( 0.1029412 0.1782994 -0.0000000), wk = 0.0022936 k( 144) = ( 0.0980392 0.1698089 -0.0000000), wk = 0.0022936 k( 145) = ( 0.0931373 0.1613184 -0.0000000), wk = 0.0022936 k( 146) = ( 0.0882353 0.1528280 -0.0000000), wk = 0.0022936 k( 147) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0022936 k( 148) = ( 0.0784314 0.1358471 -0.0000000), wk = 0.0022936 k( 149) = ( 0.0735294 0.1273567 -0.0000000), wk = 0.0022936 k( 150) = ( 0.0686275 0.1188662 -0.0000000), wk = 0.0022936 k( 151) = ( 0.0637255 0.1103758 -0.0000000), wk = 0.0022936 k( 152) = ( 0.0588235 0.1018853 -0.0000000), wk = 0.0022936 k( 153) = ( 0.0539216 0.0933949 -0.0000000), wk = 0.0022936 k( 154) = ( 0.0490196 0.0849045 -0.0000000), wk = 0.0022936 k( 155) = ( 0.0441177 0.0764140 -0.0000000), wk = 0.0022936 k( 156) = ( 0.0392157 0.0679236 -0.0000000), wk = 0.0022936 k( 157) = ( 0.0343137 0.0594331 -0.0000000), wk = 0.0022936 k( 158) = ( 0.0294118 0.0509427 -0.0000000), wk = 0.0022936 k( 159) = ( 0.0245098 0.0424522 -0.0000000), wk = 0.0022936 k( 160) = ( 0.0196078 0.0339618 -0.0000000), wk = 0.0022936 k( 161) = ( 0.0147059 0.0254713 -0.0000000), wk = 0.0022936 k( 162) = ( 0.0098039 0.0169809 -0.0000000), wk = 0.0022936 k( 163) = ( 0.0049020 0.0084904 -0.0000000), wk = 0.0022936 k( 164) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022936 k( 165) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022936 k( 166) = ( 0.0000000 0.0000000 0.0096352), wk = 0.0022936 k( 167) = ( 0.0000000 0.0000000 0.0192704), wk = 0.0022936 k( 168) = ( 0.0000000 0.0000000 0.0289056), wk = 0.0022936 k( 169) = ( 0.0000000 0.0000000 0.0385408), wk = 0.0022936 k( 170) = ( 0.0000000 0.0000000 0.0481760), wk = 0.0022936 k( 171) = ( 0.0000000 0.0000000 0.0578112), wk = 0.0022936 k( 172) = ( 0.0000000 0.0000000 0.0674464), wk = 0.0022936 k( 173) = ( 0.0000000 0.0000000 0.0770816), wk = 0.0022936 k( 174) = ( 0.0000000 0.0000000 0.0867168), wk = 0.0022936 k( 175) = ( 0.0000000 0.0000000 0.0963520), wk = 0.0022936 k( 176) = ( 0.0000000 0.0000000 0.1059872), wk = 0.0022936 k( 177) = ( 0.0000000 0.0000000 0.1156224), wk = 0.0022936 k( 178) = ( 0.0000000 0.0000000 0.1252576), wk = 0.0022936 k( 179) = ( 0.0000000 0.0000000 0.1348928), wk = 0.0022936 k( 180) = ( 0.0000000 0.0000000 0.1445280), wk = 0.0022936 k( 181) = ( 0.0000000 0.0000000 0.1541632), wk = 0.0022936 k( 182) = ( 0.0000000 0.0000000 0.1637984), wk = 0.0022936 k( 183) = ( 0.0000000 0.0000000 0.1734336), wk = 0.0022936 k( 184) = ( 0.0000000 0.0000000 0.1830688), wk = 0.0022936 k( 185) = ( 0.0000000 0.0000000 0.1927040), wk = 0.0022936 k( 186) = ( 0.0000000 0.0000000 0.2023392), wk = 0.0022936 k( 187) = ( 0.0000000 0.0000000 0.2119744), wk = 0.0022936 k( 188) = ( 0.0000000 0.0000000 0.2216096), wk = 0.0022936 k( 189) = ( 0.0000000 0.0000000 0.2312448), wk = 0.0022936 k( 190) = ( 0.0000000 0.0000000 0.2408800), wk = 0.0022936 k( 191) = ( 0.0000000 0.0000000 0.2505152), wk = 0.0022936 k( 192) = ( 0.0000000 0.0000000 0.2601504), wk = 0.0022936 k( 193) = ( 0.0000000 0.0000000 0.2697856), wk = 0.0022936 k( 194) = ( 0.0000000 0.0000000 0.2794208), wk = 0.0022936 k( 195) = ( 0.0000000 0.0000000 0.2890560), wk = 0.0022936 k( 196) = ( 0.0000000 0.0000000 0.2986912), wk = 0.0022936 k( 197) = ( 0.0000000 0.0000000 0.3083264), wk = 0.0022936 k( 198) = ( 0.0000000 0.0000000 0.3179616), wk = 0.0022936 k( 199) = ( 0.0000000 0.0000000 0.3275968), wk = 0.0022936 k( 200) = ( 0.0000000 0.0000000 0.3372320), wk = 0.0022936 k( 201) = ( 0.0000000 0.0000000 0.3372320), wk = 0.0022936 k( 202) = ( 0.0084746 0.0048928 0.3372320), wk = 0.0022936 k( 203) = ( 0.0169491 0.0097856 0.3372320), wk = 0.0022936 k( 204) = ( 0.0254237 0.0146784 0.3372320), wk = 0.0022936 k( 205) = ( 0.0338983 0.0195712 0.3372320), wk = 0.0022936 k( 206) = ( 0.0423729 0.0244640 0.3372320), wk = 0.0022936 k( 207) = ( 0.0508475 0.0293568 0.3372320), wk = 0.0022936 k( 208) = ( 0.0593220 0.0342496 0.3372320), wk = 0.0022936 k( 209) = ( 0.0677966 0.0391424 0.3372320), wk = 0.0022936 k( 210) = ( 0.0762712 0.0440352 0.3372320), wk = 0.0022936 k( 211) = ( 0.0847458 0.0489280 0.3372320), wk = 0.0022936 k( 212) = ( 0.0932203 0.0538208 0.3372320), wk = 0.0022936 k( 213) = ( 0.1016949 0.0587136 0.3372320), wk = 0.0022936 k( 214) = ( 0.1101695 0.0636064 0.3372320), wk = 0.0022936 k( 215) = ( 0.1186441 0.0684992 0.3372320), wk = 0.0022936 k( 216) = ( 0.1271186 0.0733920 0.3372320), wk = 0.0022936 k( 217) = ( 0.1355932 0.0782848 0.3372320), wk = 0.0022936 k( 218) = ( 0.1440678 0.0831776 0.3372320), wk = 0.0022936 k( 219) = ( 0.1525424 0.0880704 0.3372320), wk = 0.0022936 k( 220) = ( 0.1610169 0.0929632 0.3372320), wk = 0.0022936 k( 221) = ( 0.1694915 0.0978560 0.3372320), wk = 0.0022936 k( 222) = ( 0.1779661 0.1027488 0.3372320), wk = 0.0022936 k( 223) = ( 0.1864407 0.1076416 0.3372320), wk = 0.0022936 k( 224) = ( 0.1949153 0.1125344 0.3372320), wk = 0.0022936 k( 225) = ( 0.2033898 0.1174272 0.3372320), wk = 0.0022936 k( 226) = ( 0.2118644 0.1223200 0.3372320), wk = 0.0022936 k( 227) = ( 0.2203390 0.1272128 0.3372320), wk = 0.0022936 k( 228) = ( 0.2288136 0.1321056 0.3372320), wk = 0.0022936 k( 229) = ( 0.2372881 0.1369984 0.3372320), wk = 0.0022936 k( 230) = ( 0.2457627 0.1418912 0.3372320), wk = 0.0022936 k( 231) = ( 0.2542373 0.1467840 0.3372320), wk = 0.0022936 k( 232) = ( 0.2627119 0.1516768 0.3372320), wk = 0.0022936 k( 233) = ( 0.2711864 0.1565696 0.3372320), wk = 0.0022936 k( 234) = ( 0.2796610 0.1614624 0.3372320), wk = 0.0022936 k( 235) = ( 0.2881356 0.1663552 0.3372320), wk = 0.0022936 k( 236) = ( 0.2966102 0.1712480 0.3372320), wk = 0.0022936 k( 237) = ( 0.3050848 0.1761408 0.3372320), wk = 0.0022936 k( 238) = ( 0.3135593 0.1810336 0.3372320), wk = 0.0022936 k( 239) = ( 0.3220339 0.1859264 0.3372320), wk = 0.0022936 k( 240) = ( 0.3305085 0.1908192 0.3372320), wk = 0.0022936 k( 241) = ( 0.3389831 0.1957120 0.3372320), wk = 0.0022936 k( 242) = ( 0.3474576 0.2006048 0.3372320), wk = 0.0022936 k( 243) = ( 0.3559322 0.2054976 0.3372320), wk = 0.0022936 k( 244) = ( 0.3644068 0.2103904 0.3372320), wk = 0.0022936 k( 245) = ( 0.3728814 0.2152832 0.3372320), wk = 0.0022936 k( 246) = ( 0.3813559 0.2201759 0.3372320), wk = 0.0022936 k( 247) = ( 0.3898305 0.2250687 0.3372320), wk = 0.0022936 k( 248) = ( 0.3983051 0.2299615 0.3372320), wk = 0.0022936 k( 249) = ( 0.4067797 0.2348543 0.3372320), wk = 0.0022936 k( 250) = ( 0.4152542 0.2397471 0.3372320), wk = 0.0022936 k( 251) = ( 0.4237288 0.2446399 0.3372320), wk = 0.0022936 k( 252) = ( 0.4322034 0.2495327 0.3372320), wk = 0.0022936 k( 253) = ( 0.4406780 0.2544255 0.3372320), wk = 0.0022936 k( 254) = ( 0.4491525 0.2593183 0.3372320), wk = 0.0022936 k( 255) = ( 0.4576271 0.2642111 0.3372320), wk = 0.0022936 k( 256) = ( 0.4661017 0.2691039 0.3372320), wk = 0.0022936 k( 257) = ( 0.4745763 0.2739967 0.3372320), wk = 0.0022936 k( 258) = ( 0.4830508 0.2788895 0.3372320), wk = 0.0022936 k( 259) = ( 0.4915254 0.2837823 0.3372320), wk = 0.0022936 k( 260) = ( 0.5000000 0.2886751 0.3372320), wk = 0.0022936 k( 261) = ( 0.5000000 0.2886751 0.3372320), wk = 0.0022936 k( 262) = ( 0.4950980 0.2971656 0.3372320), wk = 0.0022936 k( 263) = ( 0.4901961 0.3056560 0.3372320), wk = 0.0022936 k( 264) = ( 0.4852941 0.3141465 0.3372320), wk = 0.0022936 k( 265) = ( 0.4803922 0.3226369 0.3372320), wk = 0.0022936 k( 266) = ( 0.4754902 0.3311274 0.3372320), wk = 0.0022936 k( 267) = ( 0.4705882 0.3396178 0.3372320), wk = 0.0022936 k( 268) = ( 0.4656863 0.3481082 0.3372320), wk = 0.0022936 k( 269) = ( 0.4607843 0.3565987 0.3372320), wk = 0.0022936 k( 270) = ( 0.4558823 0.3650891 0.3372320), wk = 0.0022936 k( 271) = ( 0.4509804 0.3735796 0.3372320), wk = 0.0022936 k( 272) = ( 0.4460784 0.3820700 0.3372320), wk = 0.0022936 k( 273) = ( 0.4411765 0.3905605 0.3372320), wk = 0.0022936 k( 274) = ( 0.4362745 0.3990509 0.3372320), wk = 0.0022936 k( 275) = ( 0.4313726 0.4075414 0.3372320), wk = 0.0022936 k( 276) = ( 0.4264706 0.4160318 0.3372320), wk = 0.0022936 k( 277) = ( 0.4215686 0.4245223 0.3372320), wk = 0.0022936 k( 278) = ( 0.4166667 0.4330127 0.3372320), wk = 0.0022936 k( 279) = ( 0.4117647 0.4415032 0.3372320), wk = 0.0022936 k( 280) = ( 0.4068627 0.4499936 0.3372320), wk = 0.0022936 k( 281) = ( 0.4019608 0.4584840 0.3372320), wk = 0.0022936 k( 282) = ( 0.3970588 0.4669745 0.3372320), wk = 0.0022936 k( 283) = ( 0.3921569 0.4754649 0.3372320), wk = 0.0022936 k( 284) = ( 0.3872549 0.4839554 0.3372320), wk = 0.0022936 k( 285) = ( 0.3823529 0.4924458 0.3372320), wk = 0.0022936 k( 286) = ( 0.3774510 0.5009363 0.3372320), wk = 0.0022936 k( 287) = ( 0.3725490 0.5094267 0.3372320), wk = 0.0022936 k( 288) = ( 0.3676471 0.5179172 0.3372320), wk = 0.0022936 k( 289) = ( 0.3627451 0.5264076 0.3372320), wk = 0.0022936 k( 290) = ( 0.3578431 0.5348981 0.3372320), wk = 0.0022936 k( 291) = ( 0.3529412 0.5433885 0.3372320), wk = 0.0022936 k( 292) = ( 0.3480392 0.5518789 0.3372320), wk = 0.0022936 k( 293) = ( 0.3431373 0.5603694 0.3372320), wk = 0.0022936 k( 294) = ( 0.3382353 0.5688598 0.3372320), wk = 0.0022936 k( 295) = ( 0.3333333 0.5773503 0.3372320), wk = 0.0022936 k( 296) = ( 0.3333333 0.5773503 0.3372320), wk = 0.0022936 k( 297) = ( 0.3284314 0.5688598 0.3372320), wk = 0.0022936 k( 298) = ( 0.3235294 0.5603694 0.3372320), wk = 0.0022936 k( 299) = ( 0.3186274 0.5518789 0.3372320), wk = 0.0022936 k( 300) = ( 0.3137255 0.5433885 0.3372320), wk = 0.0022936 k( 301) = ( 0.3088235 0.5348980 0.3372320), wk = 0.0022936 k( 302) = ( 0.3039216 0.5264076 0.3372320), wk = 0.0022936 k( 303) = ( 0.2990196 0.5179172 0.3372320), wk = 0.0022936 k( 304) = ( 0.2941177 0.5094267 0.3372320), wk = 0.0022936 k( 305) = ( 0.2892157 0.5009363 0.3372320), wk = 0.0022936 k( 306) = ( 0.2843137 0.4924458 0.3372320), wk = 0.0022936 k( 307) = ( 0.2794118 0.4839554 0.3372320), wk = 0.0022936 k( 308) = ( 0.2745098 0.4754649 0.3372320), wk = 0.0022936 k( 309) = ( 0.2696078 0.4669745 0.3372320), wk = 0.0022936 k( 310) = ( 0.2647059 0.4584840 0.3372320), wk = 0.0022936 k( 311) = ( 0.2598039 0.4499936 0.3372320), wk = 0.0022936 k( 312) = ( 0.2549020 0.4415031 0.3372320), wk = 0.0022936 k( 313) = ( 0.2500000 0.4330127 0.3372320), wk = 0.0022936 k( 314) = ( 0.2450980 0.4245223 0.3372320), wk = 0.0022936 k( 315) = ( 0.2401961 0.4160318 0.3372320), wk = 0.0022936 k( 316) = ( 0.2352941 0.4075414 0.3372320), wk = 0.0022936 k( 317) = ( 0.2303922 0.3990509 0.3372320), wk = 0.0022936 k( 318) = ( 0.2254902 0.3905605 0.3372320), wk = 0.0022936 k( 319) = ( 0.2205882 0.3820700 0.3372320), wk = 0.0022936 k( 320) = ( 0.2156863 0.3735796 0.3372320), wk = 0.0022936 k( 321) = ( 0.2107843 0.3650891 0.3372320), wk = 0.0022936 k( 322) = ( 0.2058823 0.3565987 0.3372320), wk = 0.0022936 k( 323) = ( 0.2009804 0.3481082 0.3372320), wk = 0.0022936 k( 324) = ( 0.1960784 0.3396178 0.3372320), wk = 0.0022936 k( 325) = ( 0.1911765 0.3311274 0.3372320), wk = 0.0022936 k( 326) = ( 0.1862745 0.3226369 0.3372320), wk = 0.0022936 k( 327) = ( 0.1813725 0.3141465 0.3372320), wk = 0.0022936 k( 328) = ( 0.1764706 0.3056560 0.3372320), wk = 0.0022936 k( 329) = ( 0.1715686 0.2971656 0.3372320), wk = 0.0022936 k( 330) = ( 0.1666667 0.2886751 0.3372320), wk = 0.0022936 k( 331) = ( 0.1617647 0.2801847 0.3372320), wk = 0.0022936 k( 332) = ( 0.1568627 0.2716943 0.3372320), wk = 0.0022936 k( 333) = ( 0.1519608 0.2632038 0.3372320), wk = 0.0022936 k( 334) = ( 0.1470588 0.2547133 0.3372320), wk = 0.0022936 k( 335) = ( 0.1421569 0.2462229 0.3372320), wk = 0.0022936 k( 336) = ( 0.1372549 0.2377325 0.3372320), wk = 0.0022936 k( 337) = ( 0.1323529 0.2292420 0.3372320), wk = 0.0022936 k( 338) = ( 0.1274510 0.2207516 0.3372320), wk = 0.0022936 k( 339) = ( 0.1225490 0.2122611 0.3372320), wk = 0.0022936 k( 340) = ( 0.1176471 0.2037707 0.3372320), wk = 0.0022936 k( 341) = ( 0.1127451 0.1952802 0.3372320), wk = 0.0022936 k( 342) = ( 0.1078431 0.1867898 0.3372320), wk = 0.0022936 k( 343) = ( 0.1029412 0.1782994 0.3372320), wk = 0.0022936 k( 344) = ( 0.0980392 0.1698089 0.3372320), wk = 0.0022936 k( 345) = ( 0.0931373 0.1613184 0.3372320), wk = 0.0022936 k( 346) = ( 0.0882353 0.1528280 0.3372320), wk = 0.0022936 k( 347) = ( 0.0833333 0.1443376 0.3372320), wk = 0.0022936 k( 348) = ( 0.0784314 0.1358471 0.3372320), wk = 0.0022936 k( 349) = ( 0.0735294 0.1273567 0.3372320), wk = 0.0022936 k( 350) = ( 0.0686275 0.1188662 0.3372320), wk = 0.0022936 k( 351) = ( 0.0637255 0.1103758 0.3372320), wk = 0.0022936 k( 352) = ( 0.0588235 0.1018853 0.3372320), wk = 0.0022936 k( 353) = ( 0.0539216 0.0933949 0.3372320), wk = 0.0022936 k( 354) = ( 0.0490196 0.0849045 0.3372320), wk = 0.0022936 k( 355) = ( 0.0441177 0.0764140 0.3372320), wk = 0.0022936 k( 356) = ( 0.0392157 0.0679236 0.3372320), wk = 0.0022936 k( 357) = ( 0.0343137 0.0594331 0.3372320), wk = 0.0022936 k( 358) = ( 0.0294118 0.0509427 0.3372320), wk = 0.0022936 k( 359) = ( 0.0245098 0.0424522 0.3372320), wk = 0.0022936 k( 360) = ( 0.0196078 0.0339618 0.3372320), wk = 0.0022936 k( 361) = ( 0.0147059 0.0254713 0.3372320), wk = 0.0022936 k( 362) = ( 0.0098039 0.0169809 0.3372320), wk = 0.0022936 k( 363) = ( 0.0049020 0.0084904 0.3372320), wk = 0.0022936 k( 364) = ( 0.0000000 0.0000000 0.3372320), wk = 0.0022936 k( 365) = ( 0.5000000 0.2886751 0.3372320), wk = 0.0022936 k( 366) = ( 0.5000000 0.2886751 0.3275968), wk = 0.0022936 k( 367) = ( 0.5000000 0.2886751 0.3179616), wk = 0.0022936 k( 368) = ( 0.5000000 0.2886751 0.3083264), wk = 0.0022936 k( 369) = ( 0.5000000 0.2886751 0.2986912), wk = 0.0022936 k( 370) = ( 0.5000000 0.2886751 0.2890560), wk = 0.0022936 k( 371) = ( 0.5000000 0.2886751 0.2794208), wk = 0.0022936 k( 372) = ( 0.5000000 0.2886751 0.2697856), wk = 0.0022936 k( 373) = ( 0.5000000 0.2886751 0.2601504), wk = 0.0022936 k( 374) = ( 0.5000000 0.2886751 0.2505152), wk = 0.0022936 k( 375) = ( 0.5000000 0.2886751 0.2408800), wk = 0.0022936 k( 376) = ( 0.5000000 0.2886751 0.2312448), wk = 0.0022936 k( 377) = ( 0.5000000 0.2886751 0.2216096), wk = 0.0022936 k( 378) = ( 0.5000000 0.2886751 0.2119744), wk = 0.0022936 k( 379) = ( 0.5000000 0.2886751 0.2023392), wk = 0.0022936 k( 380) = ( 0.5000000 0.2886751 0.1927040), wk = 0.0022936 k( 381) = ( 0.5000000 0.2886751 0.1830688), wk = 0.0022936 k( 382) = ( 0.5000000 0.2886751 0.1734336), wk = 0.0022936 k( 383) = ( 0.5000000 0.2886751 0.1637984), wk = 0.0022936 k( 384) = ( 0.5000000 0.2886751 0.1541632), wk = 0.0022936 k( 385) = ( 0.5000000 0.2886751 0.1445280), wk = 0.0022936 k( 386) = ( 0.5000000 0.2886751 0.1348928), wk = 0.0022936 k( 387) = ( 0.5000000 0.2886751 0.1252576), wk = 0.0022936 k( 388) = ( 0.5000000 0.2886751 0.1156224), wk = 0.0022936 k( 389) = ( 0.5000000 0.2886751 0.1059872), wk = 0.0022936 k( 390) = ( 0.5000000 0.2886751 0.0963520), wk = 0.0022936 k( 391) = ( 0.5000000 0.2886751 0.0867168), wk = 0.0022936 k( 392) = ( 0.5000000 0.2886751 0.0770816), wk = 0.0022936 k( 393) = ( 0.5000000 0.2886751 0.0674464), wk = 0.0022936 k( 394) = ( 0.5000000 0.2886751 0.0578112), wk = 0.0022936 k( 395) = ( 0.5000000 0.2886751 0.0481760), wk = 0.0022936 k( 396) = ( 0.5000000 0.2886751 0.0385408), wk = 0.0022936 k( 397) = ( 0.5000000 0.2886751 0.0289056), wk = 0.0022936 k( 398) = ( 0.5000000 0.2886751 0.0192704), wk = 0.0022936 k( 399) = ( 0.5000000 0.2886751 0.0096352), wk = 0.0022936 k( 400) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0022936 k( 401) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0022936 k( 402) = ( 0.3333333 0.5773503 0.0096352), wk = 0.0022936 k( 403) = ( 0.3333333 0.5773503 0.0192704), wk = 0.0022936 k( 404) = ( 0.3333333 0.5773503 0.0289056), wk = 0.0022936 k( 405) = ( 0.3333333 0.5773503 0.0385408), wk = 0.0022936 k( 406) = ( 0.3333333 0.5773503 0.0481760), wk = 0.0022936 k( 407) = ( 0.3333333 0.5773503 0.0578112), wk = 0.0022936 k( 408) = ( 0.3333333 0.5773503 0.0674464), wk = 0.0022936 k( 409) = ( 0.3333333 0.5773503 0.0770816), wk = 0.0022936 k( 410) = ( 0.3333333 0.5773503 0.0867168), wk = 0.0022936 k( 411) = ( 0.3333333 0.5773503 0.0963520), wk = 0.0022936 k( 412) = ( 0.3333333 0.5773503 0.1059872), wk = 0.0022936 k( 413) = ( 0.3333333 0.5773503 0.1156224), wk = 0.0022936 k( 414) = ( 0.3333333 0.5773503 0.1252576), wk = 0.0022936 k( 415) = ( 0.3333333 0.5773503 0.1348928), wk = 0.0022936 k( 416) = ( 0.3333333 0.5773503 0.1445280), wk = 0.0022936 k( 417) = ( 0.3333333 0.5773503 0.1541632), wk = 0.0022936 k( 418) = ( 0.3333333 0.5773503 0.1637984), wk = 0.0022936 k( 419) = ( 0.3333333 0.5773503 0.1734336), wk = 0.0022936 k( 420) = ( 0.3333333 0.5773503 0.1830688), wk = 0.0022936 k( 421) = ( 0.3333333 0.5773503 0.1927040), wk = 0.0022936 k( 422) = ( 0.3333333 0.5773503 0.2023392), wk = 0.0022936 k( 423) = ( 0.3333333 0.5773503 0.2119744), wk = 0.0022936 k( 424) = ( 0.3333333 0.5773503 0.2216096), wk = 0.0022936 k( 425) = ( 0.3333333 0.5773503 0.2312448), wk = 0.0022936 k( 426) = ( 0.3333333 0.5773503 0.2408800), wk = 0.0022936 k( 427) = ( 0.3333333 0.5773503 0.2505152), wk = 0.0022936 k( 428) = ( 0.3333333 0.5773503 0.2601504), wk = 0.0022936 k( 429) = ( 0.3333333 0.5773503 0.2697856), wk = 0.0022936 k( 430) = ( 0.3333333 0.5773503 0.2794208), wk = 0.0022936 k( 431) = ( 0.3333333 0.5773503 0.2890560), wk = 0.0022936 k( 432) = ( 0.3333333 0.5773503 0.2986912), wk = 0.0022936 k( 433) = ( 0.3333333 0.5773503 0.3083264), wk = 0.0022936 k( 434) = ( 0.3333333 0.5773503 0.3179616), wk = 0.0022936 k( 435) = ( 0.3333333 0.5773503 0.3275968), wk = 0.0022936 k( 436) = ( 0.3333333 0.5773503 0.3372320), wk = 0.0022936 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022936 k( 2) = ( 0.0084746 -0.0000000 0.0000000), wk = 0.0022936 k( 3) = ( 0.0169491 -0.0000000 -0.0000000), wk = 0.0022936 k( 4) = ( 0.0254237 -0.0000000 0.0000000), wk = 0.0022936 k( 5) = ( 0.0338983 -0.0000000 0.0000000), wk = 0.0022936 k( 6) = ( 0.0423729 -0.0000000 0.0000000), wk = 0.0022936 k( 7) = ( 0.0508475 -0.0000000 0.0000000), wk = 0.0022936 k( 8) = ( 0.0593220 -0.0000000 -0.0000000), wk = 0.0022936 k( 9) = ( 0.0677966 -0.0000000 0.0000000), wk = 0.0022936 k( 10) = ( 0.0762712 0.0000000 0.0000000), wk = 0.0022936 k( 11) = ( 0.0847458 -0.0000000 0.0000000), wk = 0.0022936 k( 12) = ( 0.0932203 -0.0000000 0.0000000), wk = 0.0022936 k( 13) = ( 0.1016949 -0.0000000 0.0000000), wk = 0.0022936 k( 14) = ( 0.1101695 -0.0000000 0.0000000), wk = 0.0022936 k( 15) = ( 0.1186441 -0.0000000 0.0000000), wk = 0.0022936 k( 16) = ( 0.1271186 -0.0000000 0.0000000), wk = 0.0022936 k( 17) = ( 0.1355932 -0.0000000 0.0000000), wk = 0.0022936 k( 18) = ( 0.1440678 -0.0000000 0.0000000), wk = 0.0022936 k( 19) = ( 0.1525424 0.0000000 -0.0000000), wk = 0.0022936 k( 20) = ( 0.1610169 0.0000000 0.0000000), wk = 0.0022936 k( 21) = ( 0.1694915 -0.0000000 0.0000000), wk = 0.0022936 k( 22) = ( 0.1779661 -0.0000000 0.0000000), wk = 0.0022936 k( 23) = ( 0.1864407 -0.0000000 0.0000000), wk = 0.0022936 k( 24) = ( 0.1949153 -0.0000000 0.0000000), wk = 0.0022936 k( 25) = ( 0.2033898 -0.0000000 -0.0000000), wk = 0.0022936 k( 26) = ( 0.2118644 -0.0000000 0.0000000), wk = 0.0022936 k( 27) = ( 0.2203390 -0.0000000 0.0000000), wk = 0.0022936 k( 28) = ( 0.2288136 -0.0000000 -0.0000000), wk = 0.0022936 k( 29) = ( 0.2372881 -0.0000000 0.0000000), wk = 0.0022936 k( 30) = ( 0.2457627 -0.0000000 0.0000000), wk = 0.0022936 k( 31) = ( 0.2542373 -0.0000000 -0.0000000), wk = 0.0022936 k( 32) = ( 0.2627119 -0.0000000 0.0000000), wk = 0.0022936 k( 33) = ( 0.2711864 -0.0000000 0.0000000), wk = 0.0022936 k( 34) = ( 0.2796610 -0.0000000 0.0000000), wk = 0.0022936 k( 35) = ( 0.2881356 -0.0000000 0.0000000), wk = 0.0022936 k( 36) = ( 0.2966102 -0.0000000 0.0000000), wk = 0.0022936 k( 37) = ( 0.3050848 -0.0000000 0.0000000), wk = 0.0022936 k( 38) = ( 0.3135593 -0.0000000 0.0000000), wk = 0.0022936 k( 39) = ( 0.3220339 0.0000000 0.0000000), wk = 0.0022936 k( 40) = ( 0.3305085 0.0000000 0.0000000), wk = 0.0022936 k( 41) = ( 0.3389831 -0.0000000 0.0000000), wk = 0.0022936 k( 42) = ( 0.3474576 -0.0000000 0.0000000), wk = 0.0022936 k( 43) = ( 0.3559322 -0.0000000 0.0000000), wk = 0.0022936 k( 44) = ( 0.3644068 -0.0000000 0.0000000), wk = 0.0022936 k( 45) = ( 0.3728814 -0.0000000 0.0000000), wk = 0.0022936 k( 46) = ( 0.3813559 -0.0000000 0.0000000), wk = 0.0022936 k( 47) = ( 0.3898305 -0.0000000 0.0000000), wk = 0.0022936 k( 48) = ( 0.3983051 -0.0000000 0.0000000), wk = 0.0022936 k( 49) = ( 0.4067797 -0.0000000 -0.0000000), wk = 0.0022936 k( 50) = ( 0.4152542 0.0000000 0.0000000), wk = 0.0022936 k( 51) = ( 0.4237288 0.0000000 0.0000000), wk = 0.0022936 k( 52) = ( 0.4322034 -0.0000000 0.0000000), wk = 0.0022936 k( 53) = ( 0.4406780 -0.0000000 0.0000000), wk = 0.0022936 k( 54) = ( 0.4491525 -0.0000000 0.0000000), wk = 0.0022936 k( 55) = ( 0.4576271 -0.0000000 -0.0000000), wk = 0.0022936 k( 56) = ( 0.4661017 -0.0000000 0.0000000), wk = 0.0022936 k( 57) = ( 0.4745763 -0.0000000 0.0000000), wk = 0.0022936 k( 58) = ( 0.4830508 -0.0000000 0.0000000), wk = 0.0022936 k( 59) = ( 0.4915254 -0.0000000 0.0000000), wk = 0.0022936 k( 60) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0022936 k( 61) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0022936 k( 62) = ( 0.4950980 0.0098039 0.0000000), wk = 0.0022936 k( 63) = ( 0.4901961 0.0196078 0.0000000), wk = 0.0022936 k( 64) = ( 0.4852941 0.0294118 0.0000000), wk = 0.0022936 k( 65) = ( 0.4803922 0.0392157 0.0000000), wk = 0.0022936 k( 66) = ( 0.4754902 0.0490196 0.0000000), wk = 0.0022936 k( 67) = ( 0.4705882 0.0588235 0.0000000), wk = 0.0022936 k( 68) = ( 0.4656863 0.0686274 -0.0000000), wk = 0.0022936 k( 69) = ( 0.4607843 0.0784314 0.0000000), wk = 0.0022936 k( 70) = ( 0.4558823 0.0882353 0.0000000), wk = 0.0022936 k( 71) = ( 0.4509804 0.0980392 0.0000000), wk = 0.0022936 k( 72) = ( 0.4460784 0.1078431 0.0000000), wk = 0.0022936 k( 73) = ( 0.4411765 0.1176471 0.0000000), wk = 0.0022936 k( 74) = ( 0.4362745 0.1274510 -0.0000000), wk = 0.0022936 k( 75) = ( 0.4313726 0.1372549 -0.0000000), wk = 0.0022936 k( 76) = ( 0.4264706 0.1470588 0.0000000), wk = 0.0022936 k( 77) = ( 0.4215686 0.1568627 0.0000000), wk = 0.0022936 k( 78) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0022936 k( 79) = ( 0.4117647 0.1764706 0.0000000), wk = 0.0022936 k( 80) = ( 0.4068627 0.1862745 0.0000000), wk = 0.0022936 k( 81) = ( 0.4019608 0.1960784 -0.0000000), wk = 0.0022936 k( 82) = ( 0.3970588 0.2058823 -0.0000000), wk = 0.0022936 k( 83) = ( 0.3921569 0.2156863 0.0000000), wk = 0.0022936 k( 84) = ( 0.3872549 0.2254902 0.0000000), wk = 0.0022936 k( 85) = ( 0.3823529 0.2352941 -0.0000000), wk = 0.0022936 k( 86) = ( 0.3774510 0.2450980 -0.0000000), wk = 0.0022936 k( 87) = ( 0.3725490 0.2549020 0.0000000), wk = 0.0022936 k( 88) = ( 0.3676471 0.2647059 0.0000000), wk = 0.0022936 k( 89) = ( 0.3627451 0.2745098 0.0000000), wk = 0.0022936 k( 90) = ( 0.3578431 0.2843137 0.0000000), wk = 0.0022936 k( 91) = ( 0.3529412 0.2941176 0.0000000), wk = 0.0022936 k( 92) = ( 0.3480392 0.3039216 -0.0000000), wk = 0.0022936 k( 93) = ( 0.3431373 0.3137255 0.0000000), wk = 0.0022936 k( 94) = ( 0.3382353 0.3235294 0.0000000), wk = 0.0022936 k( 95) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0022936 k( 96) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0022936 k( 97) = ( 0.3284314 0.3284314 0.0000000), wk = 0.0022936 k( 98) = ( 0.3235294 0.3235294 0.0000000), wk = 0.0022936 k( 99) = ( 0.3186274 0.3186274 0.0000000), wk = 0.0022936 k( 100) = ( 0.3137255 0.3137255 0.0000000), wk = 0.0022936 k( 101) = ( 0.3088235 0.3088235 0.0000000), wk = 0.0022936 k( 102) = ( 0.3039216 0.3039216 -0.0000000), wk = 0.0022936 k( 103) = ( 0.2990196 0.2990196 -0.0000000), wk = 0.0022936 k( 104) = ( 0.2941177 0.2941176 -0.0000000), wk = 0.0022936 k( 105) = ( 0.2892157 0.2892157 0.0000000), wk = 0.0022936 k( 106) = ( 0.2843137 0.2843137 0.0000000), wk = 0.0022936 k( 107) = ( 0.2794118 0.2794118 0.0000000), wk = 0.0022936 k( 108) = ( 0.2745098 0.2745098 0.0000000), wk = 0.0022936 k( 109) = ( 0.2696078 0.2696078 0.0000000), wk = 0.0022936 k( 110) = ( 0.2647059 0.2647059 0.0000000), wk = 0.0022936 k( 111) = ( 0.2598039 0.2598039 0.0000000), wk = 0.0022936 k( 112) = ( 0.2549020 0.2549020 0.0000000), wk = 0.0022936 k( 113) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0022936 k( 114) = ( 0.2450980 0.2450980 -0.0000000), wk = 0.0022936 k( 115) = ( 0.2401961 0.2401961 0.0000000), wk = 0.0022936 k( 116) = ( 0.2352941 0.2352941 0.0000000), wk = 0.0022936 k( 117) = ( 0.2303922 0.2303922 0.0000000), wk = 0.0022936 k( 118) = ( 0.2254902 0.2254902 -0.0000000), wk = 0.0022936 k( 119) = ( 0.2205882 0.2205882 0.0000000), wk = 0.0022936 k( 120) = ( 0.2156863 0.2156863 0.0000000), wk = 0.0022936 k( 121) = ( 0.2107843 0.2107843 0.0000000), wk = 0.0022936 k( 122) = ( 0.2058823 0.2058823 0.0000000), wk = 0.0022936 k( 123) = ( 0.2009804 0.2009804 0.0000000), wk = 0.0022936 k( 124) = ( 0.1960784 0.1960784 0.0000000), wk = 0.0022936 k( 125) = ( 0.1911765 0.1911765 0.0000000), wk = 0.0022936 k( 126) = ( 0.1862745 0.1862745 0.0000000), wk = 0.0022936 k( 127) = ( 0.1813725 0.1813725 0.0000000), wk = 0.0022936 k( 128) = ( 0.1764706 0.1764706 0.0000000), wk = 0.0022936 k( 129) = ( 0.1715686 0.1715686 0.0000000), wk = 0.0022936 k( 130) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0022936 k( 131) = ( 0.1617647 0.1617647 0.0000000), wk = 0.0022936 k( 132) = ( 0.1568627 0.1568627 -0.0000000), wk = 0.0022936 k( 133) = ( 0.1519608 0.1519608 0.0000000), wk = 0.0022936 k( 134) = ( 0.1470588 0.1470588 0.0000000), wk = 0.0022936 k( 135) = ( 0.1421569 0.1421569 -0.0000000), wk = 0.0022936 k( 136) = ( 0.1372549 0.1372549 0.0000000), wk = 0.0022936 k( 137) = ( 0.1323529 0.1323529 0.0000000), wk = 0.0022936 k( 138) = ( 0.1274510 0.1274510 0.0000000), wk = 0.0022936 k( 139) = ( 0.1225490 0.1225490 -0.0000000), wk = 0.0022936 k( 140) = ( 0.1176471 0.1176471 0.0000000), wk = 0.0022936 k( 141) = ( 0.1127451 0.1127451 -0.0000000), wk = 0.0022936 k( 142) = ( 0.1078431 0.1078431 0.0000000), wk = 0.0022936 k( 143) = ( 0.1029412 0.1029412 -0.0000000), wk = 0.0022936 k( 144) = ( 0.0980392 0.0980392 -0.0000000), wk = 0.0022936 k( 145) = ( 0.0931373 0.0931373 0.0000000), wk = 0.0022936 k( 146) = ( 0.0882353 0.0882353 0.0000000), wk = 0.0022936 k( 147) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0022936 k( 148) = ( 0.0784314 0.0784314 0.0000000), wk = 0.0022936 k( 149) = ( 0.0735294 0.0735294 0.0000000), wk = 0.0022936 k( 150) = ( 0.0686275 0.0686274 0.0000000), wk = 0.0022936 k( 151) = ( 0.0637255 0.0637255 0.0000000), wk = 0.0022936 k( 152) = ( 0.0588235 0.0588235 0.0000000), wk = 0.0022936 k( 153) = ( 0.0539216 0.0539216 0.0000000), wk = 0.0022936 k( 154) = ( 0.0490196 0.0490196 -0.0000000), wk = 0.0022936 k( 155) = ( 0.0441177 0.0441176 0.0000000), wk = 0.0022936 k( 156) = ( 0.0392157 0.0392157 0.0000000), wk = 0.0022936 k( 157) = ( 0.0343137 0.0343137 0.0000000), wk = 0.0022936 k( 158) = ( 0.0294118 0.0294118 0.0000000), wk = 0.0022936 k( 159) = ( 0.0245098 0.0245098 -0.0000000), wk = 0.0022936 k( 160) = ( 0.0196078 0.0196078 0.0000000), wk = 0.0022936 k( 161) = ( 0.0147059 0.0147059 0.0000000), wk = 0.0022936 k( 162) = ( 0.0098039 0.0098039 0.0000000), wk = 0.0022936 k( 163) = ( 0.0049020 0.0049020 0.0000000), wk = 0.0022936 k( 164) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022936 k( 165) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022936 k( 166) = ( 0.0000000 0.0000000 0.0142857), wk = 0.0022936 k( 167) = ( 0.0000000 0.0000000 0.0285714), wk = 0.0022936 k( 168) = ( 0.0000000 0.0000000 0.0428571), wk = 0.0022936 k( 169) = ( 0.0000000 0.0000000 0.0571429), wk = 0.0022936 k( 170) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0022936 k( 171) = ( 0.0000000 0.0000000 0.0857143), wk = 0.0022936 k( 172) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0022936 k( 173) = ( 0.0000000 0.0000000 0.1142857), wk = 0.0022936 k( 174) = ( 0.0000000 0.0000000 0.1285714), wk = 0.0022936 k( 175) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0022936 k( 176) = ( 0.0000000 0.0000000 0.1571429), wk = 0.0022936 k( 177) = ( 0.0000000 0.0000000 0.1714286), wk = 0.0022936 k( 178) = ( 0.0000000 0.0000000 0.1857143), wk = 0.0022936 k( 179) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0022936 k( 180) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0022936 k( 181) = ( 0.0000000 0.0000000 0.2285714), wk = 0.0022936 k( 182) = ( 0.0000000 0.0000000 0.2428571), wk = 0.0022936 k( 183) = ( 0.0000000 0.0000000 0.2571429), wk = 0.0022936 k( 184) = ( 0.0000000 0.0000000 0.2714286), wk = 0.0022936 k( 185) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0022936 k( 186) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0022936 k( 187) = ( 0.0000000 0.0000000 0.3142857), wk = 0.0022936 k( 188) = ( 0.0000000 0.0000000 0.3285714), wk = 0.0022936 k( 189) = ( 0.0000000 0.0000000 0.3428571), wk = 0.0022936 k( 190) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0022936 k( 191) = ( 0.0000000 0.0000000 0.3714286), wk = 0.0022936 k( 192) = ( 0.0000000 0.0000000 0.3857143), wk = 0.0022936 k( 193) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0022936 k( 194) = ( 0.0000000 0.0000000 0.4142857), wk = 0.0022936 k( 195) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0022936 k( 196) = ( 0.0000000 0.0000000 0.4428571), wk = 0.0022936 k( 197) = ( 0.0000000 0.0000000 0.4571429), wk = 0.0022936 k( 198) = ( 0.0000000 0.0000000 0.4714286), wk = 0.0022936 k( 199) = ( 0.0000000 0.0000000 0.4857143), wk = 0.0022936 k( 200) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022936 k( 201) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022936 k( 202) = ( 0.0084746 -0.0000000 0.5000000), wk = 0.0022936 k( 203) = ( 0.0169491 -0.0000000 0.5000000), wk = 0.0022936 k( 204) = ( 0.0254237 -0.0000000 0.5000000), wk = 0.0022936 k( 205) = ( 0.0338983 -0.0000000 0.5000000), wk = 0.0022936 k( 206) = ( 0.0423729 -0.0000000 0.5000000), wk = 0.0022936 k( 207) = ( 0.0508475 -0.0000000 0.5000000), wk = 0.0022936 k( 208) = ( 0.0593220 -0.0000000 0.5000000), wk = 0.0022936 k( 209) = ( 0.0677966 -0.0000000 0.5000000), wk = 0.0022936 k( 210) = ( 0.0762712 0.0000000 0.5000000), wk = 0.0022936 k( 211) = ( 0.0847458 -0.0000000 0.5000000), wk = 0.0022936 k( 212) = ( 0.0932203 -0.0000000 0.5000000), wk = 0.0022936 k( 213) = ( 0.1016949 -0.0000000 0.5000000), wk = 0.0022936 k( 214) = ( 0.1101695 -0.0000000 0.5000000), wk = 0.0022936 k( 215) = ( 0.1186441 -0.0000000 0.5000000), wk = 0.0022936 k( 216) = ( 0.1271186 -0.0000000 0.5000000), wk = 0.0022936 k( 217) = ( 0.1355932 -0.0000000 0.5000000), wk = 0.0022936 k( 218) = ( 0.1440678 -0.0000000 0.5000000), wk = 0.0022936 k( 219) = ( 0.1525424 0.0000000 0.5000000), wk = 0.0022936 k( 220) = ( 0.1610169 0.0000000 0.5000000), wk = 0.0022936 k( 221) = ( 0.1694915 -0.0000000 0.5000000), wk = 0.0022936 k( 222) = ( 0.1779661 -0.0000000 0.5000000), wk = 0.0022936 k( 223) = ( 0.1864407 -0.0000000 0.5000000), wk = 0.0022936 k( 224) = ( 0.1949153 -0.0000000 0.5000000), wk = 0.0022936 k( 225) = ( 0.2033898 -0.0000000 0.5000000), wk = 0.0022936 k( 226) = ( 0.2118644 -0.0000000 0.5000000), wk = 0.0022936 k( 227) = ( 0.2203390 -0.0000000 0.5000000), wk = 0.0022936 k( 228) = ( 0.2288136 -0.0000000 0.5000000), wk = 0.0022936 k( 229) = ( 0.2372881 -0.0000000 0.5000000), wk = 0.0022936 k( 230) = ( 0.2457627 -0.0000000 0.5000000), wk = 0.0022936 k( 231) = ( 0.2542373 -0.0000000 0.5000000), wk = 0.0022936 k( 232) = ( 0.2627119 -0.0000000 0.5000000), wk = 0.0022936 k( 233) = ( 0.2711864 -0.0000000 0.5000000), wk = 0.0022936 k( 234) = ( 0.2796610 -0.0000000 0.5000000), wk = 0.0022936 k( 235) = ( 0.2881356 -0.0000000 0.5000000), wk = 0.0022936 k( 236) = ( 0.2966102 -0.0000000 0.5000000), wk = 0.0022936 k( 237) = ( 0.3050848 -0.0000000 0.5000000), wk = 0.0022936 k( 238) = ( 0.3135593 -0.0000000 0.5000000), wk = 0.0022936 k( 239) = ( 0.3220339 0.0000000 0.5000000), wk = 0.0022936 k( 240) = ( 0.3305085 0.0000000 0.5000000), wk = 0.0022936 k( 241) = ( 0.3389831 -0.0000000 0.5000000), wk = 0.0022936 k( 242) = ( 0.3474576 -0.0000000 0.5000000), wk = 0.0022936 k( 243) = ( 0.3559322 -0.0000000 0.5000000), wk = 0.0022936 k( 244) = ( 0.3644068 -0.0000000 0.5000000), wk = 0.0022936 k( 245) = ( 0.3728814 -0.0000000 0.5000000), wk = 0.0022936 k( 246) = ( 0.3813559 -0.0000000 0.5000000), wk = 0.0022936 k( 247) = ( 0.3898305 -0.0000000 0.5000000), wk = 0.0022936 k( 248) = ( 0.3983051 -0.0000000 0.5000000), wk = 0.0022936 k( 249) = ( 0.4067797 -0.0000000 0.5000000), wk = 0.0022936 k( 250) = ( 0.4152542 0.0000000 0.5000000), wk = 0.0022936 k( 251) = ( 0.4237288 0.0000000 0.5000000), wk = 0.0022936 k( 252) = ( 0.4322034 -0.0000000 0.5000000), wk = 0.0022936 k( 253) = ( 0.4406780 -0.0000000 0.5000000), wk = 0.0022936 k( 254) = ( 0.4491525 -0.0000000 0.5000000), wk = 0.0022936 k( 255) = ( 0.4576271 -0.0000000 0.5000000), wk = 0.0022936 k( 256) = ( 0.4661017 -0.0000000 0.5000000), wk = 0.0022936 k( 257) = ( 0.4745763 -0.0000000 0.5000000), wk = 0.0022936 k( 258) = ( 0.4830508 -0.0000000 0.5000000), wk = 0.0022936 k( 259) = ( 0.4915254 -0.0000000 0.5000000), wk = 0.0022936 k( 260) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0022936 k( 261) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0022936 k( 262) = ( 0.4950980 0.0098039 0.5000000), wk = 0.0022936 k( 263) = ( 0.4901961 0.0196078 0.5000000), wk = 0.0022936 k( 264) = ( 0.4852941 0.0294118 0.5000000), wk = 0.0022936 k( 265) = ( 0.4803922 0.0392157 0.5000000), wk = 0.0022936 k( 266) = ( 0.4754902 0.0490196 0.5000000), wk = 0.0022936 k( 267) = ( 0.4705882 0.0588235 0.5000000), wk = 0.0022936 k( 268) = ( 0.4656863 0.0686274 0.5000000), wk = 0.0022936 k( 269) = ( 0.4607843 0.0784314 0.5000000), wk = 0.0022936 k( 270) = ( 0.4558823 0.0882353 0.5000000), wk = 0.0022936 k( 271) = ( 0.4509804 0.0980392 0.5000000), wk = 0.0022936 k( 272) = ( 0.4460784 0.1078431 0.5000000), wk = 0.0022936 k( 273) = ( 0.4411765 0.1176471 0.5000000), wk = 0.0022936 k( 274) = ( 0.4362745 0.1274510 0.5000000), wk = 0.0022936 k( 275) = ( 0.4313726 0.1372549 0.5000000), wk = 0.0022936 k( 276) = ( 0.4264706 0.1470588 0.5000000), wk = 0.0022936 k( 277) = ( 0.4215686 0.1568627 0.5000000), wk = 0.0022936 k( 278) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0022936 k( 279) = ( 0.4117647 0.1764706 0.5000000), wk = 0.0022936 k( 280) = ( 0.4068627 0.1862745 0.5000000), wk = 0.0022936 k( 281) = ( 0.4019608 0.1960784 0.5000000), wk = 0.0022936 k( 282) = ( 0.3970588 0.2058823 0.5000000), wk = 0.0022936 k( 283) = ( 0.3921569 0.2156863 0.5000000), wk = 0.0022936 k( 284) = ( 0.3872549 0.2254902 0.5000000), wk = 0.0022936 k( 285) = ( 0.3823529 0.2352941 0.5000000), wk = 0.0022936 k( 286) = ( 0.3774510 0.2450980 0.5000000), wk = 0.0022936 k( 287) = ( 0.3725490 0.2549020 0.5000000), wk = 0.0022936 k( 288) = ( 0.3676471 0.2647059 0.5000000), wk = 0.0022936 k( 289) = ( 0.3627451 0.2745098 0.5000000), wk = 0.0022936 k( 290) = ( 0.3578431 0.2843137 0.5000000), wk = 0.0022936 k( 291) = ( 0.3529412 0.2941176 0.5000000), wk = 0.0022936 k( 292) = ( 0.3480392 0.3039216 0.5000000), wk = 0.0022936 k( 293) = ( 0.3431373 0.3137255 0.5000000), wk = 0.0022936 k( 294) = ( 0.3382353 0.3235294 0.5000000), wk = 0.0022936 k( 295) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0022936 k( 296) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0022936 k( 297) = ( 0.3284314 0.3284314 0.5000000), wk = 0.0022936 k( 298) = ( 0.3235294 0.3235294 0.5000000), wk = 0.0022936 k( 299) = ( 0.3186274 0.3186274 0.5000000), wk = 0.0022936 k( 300) = ( 0.3137255 0.3137255 0.5000000), wk = 0.0022936 k( 301) = ( 0.3088235 0.3088235 0.5000000), wk = 0.0022936 k( 302) = ( 0.3039216 0.3039216 0.5000000), wk = 0.0022936 k( 303) = ( 0.2990196 0.2990196 0.5000000), wk = 0.0022936 k( 304) = ( 0.2941177 0.2941176 0.5000000), wk = 0.0022936 k( 305) = ( 0.2892157 0.2892157 0.5000000), wk = 0.0022936 k( 306) = ( 0.2843137 0.2843137 0.5000000), wk = 0.0022936 k( 307) = ( 0.2794118 0.2794118 0.5000000), wk = 0.0022936 k( 308) = ( 0.2745098 0.2745098 0.5000000), wk = 0.0022936 k( 309) = ( 0.2696078 0.2696078 0.5000000), wk = 0.0022936 k( 310) = ( 0.2647059 0.2647059 0.5000000), wk = 0.0022936 k( 311) = ( 0.2598039 0.2598039 0.5000000), wk = 0.0022936 k( 312) = ( 0.2549020 0.2549020 0.5000000), wk = 0.0022936 k( 313) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0022936 k( 314) = ( 0.2450980 0.2450980 0.5000000), wk = 0.0022936 k( 315) = ( 0.2401961 0.2401961 0.5000000), wk = 0.0022936 k( 316) = ( 0.2352941 0.2352941 0.5000000), wk = 0.0022936 k( 317) = ( 0.2303922 0.2303922 0.5000000), wk = 0.0022936 k( 318) = ( 0.2254902 0.2254902 0.5000000), wk = 0.0022936 k( 319) = ( 0.2205882 0.2205882 0.5000000), wk = 0.0022936 k( 320) = ( 0.2156863 0.2156863 0.5000000), wk = 0.0022936 k( 321) = ( 0.2107843 0.2107843 0.5000000), wk = 0.0022936 k( 322) = ( 0.2058823 0.2058823 0.5000000), wk = 0.0022936 k( 323) = ( 0.2009804 0.2009804 0.5000000), wk = 0.0022936 k( 324) = ( 0.1960784 0.1960784 0.5000000), wk = 0.0022936 k( 325) = ( 0.1911765 0.1911765 0.5000000), wk = 0.0022936 k( 326) = ( 0.1862745 0.1862745 0.5000000), wk = 0.0022936 k( 327) = ( 0.1813725 0.1813725 0.5000000), wk = 0.0022936 k( 328) = ( 0.1764706 0.1764706 0.5000000), wk = 0.0022936 k( 329) = ( 0.1715686 0.1715686 0.5000000), wk = 0.0022936 k( 330) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0022936 k( 331) = ( 0.1617647 0.1617647 0.5000000), wk = 0.0022936 k( 332) = ( 0.1568627 0.1568627 0.5000000), wk = 0.0022936 k( 333) = ( 0.1519608 0.1519608 0.5000000), wk = 0.0022936 k( 334) = ( 0.1470588 0.1470588 0.5000000), wk = 0.0022936 k( 335) = ( 0.1421569 0.1421569 0.5000000), wk = 0.0022936 k( 336) = ( 0.1372549 0.1372549 0.5000000), wk = 0.0022936 k( 337) = ( 0.1323529 0.1323529 0.5000000), wk = 0.0022936 k( 338) = ( 0.1274510 0.1274510 0.5000000), wk = 0.0022936 k( 339) = ( 0.1225490 0.1225490 0.5000000), wk = 0.0022936 k( 340) = ( 0.1176471 0.1176471 0.5000000), wk = 0.0022936 k( 341) = ( 0.1127451 0.1127451 0.5000000), wk = 0.0022936 k( 342) = ( 0.1078431 0.1078431 0.5000000), wk = 0.0022936 k( 343) = ( 0.1029412 0.1029412 0.5000000), wk = 0.0022936 k( 344) = ( 0.0980392 0.0980392 0.5000000), wk = 0.0022936 k( 345) = ( 0.0931373 0.0931373 0.5000000), wk = 0.0022936 k( 346) = ( 0.0882353 0.0882353 0.5000000), wk = 0.0022936 k( 347) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0022936 k( 348) = ( 0.0784314 0.0784314 0.5000000), wk = 0.0022936 k( 349) = ( 0.0735294 0.0735294 0.5000000), wk = 0.0022936 k( 350) = ( 0.0686275 0.0686274 0.5000000), wk = 0.0022936 k( 351) = ( 0.0637255 0.0637255 0.5000000), wk = 0.0022936 k( 352) = ( 0.0588235 0.0588235 0.5000000), wk = 0.0022936 k( 353) = ( 0.0539216 0.0539216 0.5000000), wk = 0.0022936 k( 354) = ( 0.0490196 0.0490196 0.5000000), wk = 0.0022936 k( 355) = ( 0.0441177 0.0441176 0.5000000), wk = 0.0022936 k( 356) = ( 0.0392157 0.0392157 0.5000000), wk = 0.0022936 k( 357) = ( 0.0343137 0.0343137 0.5000000), wk = 0.0022936 k( 358) = ( 0.0294118 0.0294118 0.5000000), wk = 0.0022936 k( 359) = ( 0.0245098 0.0245098 0.5000000), wk = 0.0022936 k( 360) = ( 0.0196078 0.0196078 0.5000000), wk = 0.0022936 k( 361) = ( 0.0147059 0.0147059 0.5000000), wk = 0.0022936 k( 362) = ( 0.0098039 0.0098039 0.5000000), wk = 0.0022936 k( 363) = ( 0.0049020 0.0049020 0.5000000), wk = 0.0022936 k( 364) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022936 k( 365) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0022936 k( 366) = ( 0.5000000 -0.0000000 0.4857143), wk = 0.0022936 k( 367) = ( 0.5000000 -0.0000000 0.4714286), wk = 0.0022936 k( 368) = ( 0.5000000 -0.0000000 0.4571429), wk = 0.0022936 k( 369) = ( 0.5000000 -0.0000000 0.4428571), wk = 0.0022936 k( 370) = ( 0.5000000 -0.0000000 0.4285714), wk = 0.0022936 k( 371) = ( 0.5000000 -0.0000000 0.4142857), wk = 0.0022936 k( 372) = ( 0.5000000 -0.0000000 0.4000000), wk = 0.0022936 k( 373) = ( 0.5000000 -0.0000000 0.3857143), wk = 0.0022936 k( 374) = ( 0.5000000 -0.0000000 0.3714286), wk = 0.0022936 k( 375) = ( 0.5000000 -0.0000000 0.3571429), wk = 0.0022936 k( 376) = ( 0.5000000 -0.0000000 0.3428571), wk = 0.0022936 k( 377) = ( 0.5000000 -0.0000000 0.3285714), wk = 0.0022936 k( 378) = ( 0.5000000 -0.0000000 0.3142857), wk = 0.0022936 k( 379) = ( 0.5000000 -0.0000000 0.3000000), wk = 0.0022936 k( 380) = ( 0.5000000 -0.0000000 0.2857143), wk = 0.0022936 k( 381) = ( 0.5000000 -0.0000000 0.2714286), wk = 0.0022936 k( 382) = ( 0.5000000 -0.0000000 0.2571429), wk = 0.0022936 k( 383) = ( 0.5000000 -0.0000000 0.2428571), wk = 0.0022936 k( 384) = ( 0.5000000 -0.0000000 0.2285714), wk = 0.0022936 k( 385) = ( 0.5000000 -0.0000000 0.2142857), wk = 0.0022936 k( 386) = ( 0.5000000 -0.0000000 0.2000000), wk = 0.0022936 k( 387) = ( 0.5000000 -0.0000000 0.1857143), wk = 0.0022936 k( 388) = ( 0.5000000 -0.0000000 0.1714286), wk = 0.0022936 k( 389) = ( 0.5000000 -0.0000000 0.1571429), wk = 0.0022936 k( 390) = ( 0.5000000 -0.0000000 0.1428571), wk = 0.0022936 k( 391) = ( 0.5000000 -0.0000000 0.1285714), wk = 0.0022936 k( 392) = ( 0.5000000 -0.0000000 0.1142857), wk = 0.0022936 k( 393) = ( 0.5000000 -0.0000000 0.1000000), wk = 0.0022936 k( 394) = ( 0.5000000 -0.0000000 0.0857143), wk = 0.0022936 k( 395) = ( 0.5000000 -0.0000000 0.0714286), wk = 0.0022936 k( 396) = ( 0.5000000 -0.0000000 0.0571429), wk = 0.0022936 k( 397) = ( 0.5000000 -0.0000000 0.0428571), wk = 0.0022936 k( 398) = ( 0.5000000 -0.0000000 0.0285714), wk = 0.0022936 k( 399) = ( 0.5000000 -0.0000000 0.0142857), wk = 0.0022936 k( 400) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0022936 k( 401) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0022936 k( 402) = ( 0.3333333 0.3333333 0.0142857), wk = 0.0022936 k( 403) = ( 0.3333333 0.3333333 0.0285714), wk = 0.0022936 k( 404) = ( 0.3333333 0.3333333 0.0428571), wk = 0.0022936 k( 405) = ( 0.3333333 0.3333333 0.0571429), wk = 0.0022936 k( 406) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0022936 k( 407) = ( 0.3333333 0.3333333 0.0857143), wk = 0.0022936 k( 408) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0022936 k( 409) = ( 0.3333333 0.3333333 0.1142857), wk = 0.0022936 k( 410) = ( 0.3333333 0.3333333 0.1285714), wk = 0.0022936 k( 411) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0022936 k( 412) = ( 0.3333333 0.3333333 0.1571429), wk = 0.0022936 k( 413) = ( 0.3333333 0.3333333 0.1714286), wk = 0.0022936 k( 414) = ( 0.3333333 0.3333333 0.1857143), wk = 0.0022936 k( 415) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0022936 k( 416) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0022936 k( 417) = ( 0.3333333 0.3333333 0.2285714), wk = 0.0022936 k( 418) = ( 0.3333333 0.3333333 0.2428571), wk = 0.0022936 k( 419) = ( 0.3333333 0.3333333 0.2571429), wk = 0.0022936 k( 420) = ( 0.3333333 0.3333333 0.2714286), wk = 0.0022936 k( 421) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0022936 k( 422) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0022936 k( 423) = ( 0.3333333 0.3333333 0.3142857), wk = 0.0022936 k( 424) = ( 0.3333333 0.3333333 0.3285714), wk = 0.0022936 k( 425) = ( 0.3333333 0.3333333 0.3428571), wk = 0.0022936 k( 426) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0022936 k( 427) = ( 0.3333333 0.3333333 0.3714286), wk = 0.0022936 k( 428) = ( 0.3333333 0.3333333 0.3857143), wk = 0.0022936 k( 429) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0022936 k( 430) = ( 0.3333333 0.3333333 0.4142857), wk = 0.0022936 k( 431) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0022936 k( 432) = ( 0.3333333 0.3333333 0.4428571), wk = 0.0022936 k( 433) = ( 0.3333333 0.3333333 0.4571429), wk = 0.0022936 k( 434) = ( 0.3333333 0.3333333 0.4714286), wk = 0.0022936 k( 435) = ( 0.3333333 0.3333333 0.4857143), wk = 0.0022936 k( 436) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0022936 Dense grid: 25669 G-vectors FFT dimensions: ( 36, 36, 50) Smooth grid: 11289 G-vectors FFT dimensions: ( 25, 25, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 84, 30) NL pseudopotentials 0.04 Mb ( 42, 62) Each V/rho on FFT grid 0.04 Mb ( 2592) Each G-vector array 0.01 Mb ( 716) G-vector shells 0.00 Mb ( 365) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.15 Mb ( 84, 120) Each subspace H/S matrix 0.01 Mb ( 30, 30) Each matrix 0.06 Mb ( 62, 2, 30) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./NiO2.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 1.7 secs Computing kpt #: 2 total cpu time spent up to now is 1.8 secs Computing kpt #: 3 total cpu time spent up to now is 1.9 secs Computing kpt #: 4 total cpu time spent up to now is 2.0 secs Computing kpt #: 5 total cpu time spent up to now is 2.1 secs Computing kpt #: 6 total cpu time spent up to now is 2.2 secs Computing kpt #: 7 total cpu time spent up to now is 2.3 secs Computing kpt #: 8 total cpu time spent up to now is 2.4 secs Computing kpt #: 9 total cpu time spent up to now is 2.5 secs Computing kpt #: 10 total cpu time spent up to now is 2.6 secs Computing kpt #: 11 total cpu time spent up to now is 2.7 secs Computing kpt #: 12 total cpu time spent up to now is 2.7 secs Computing kpt #: 13 total cpu time spent up to now is 2.8 secs Computing kpt #: 14 total cpu time spent up to now is 2.9 secs Computing kpt #: 15 total cpu time spent up to now is 3.0 secs Computing kpt #: 16 total cpu time spent up to now is 3.1 secs Computing kpt #: 17 total cpu time spent up to now is 3.2 secs Computing kpt #: 18 total cpu time spent up to now is 3.3 secs Computing kpt #: 19 total cpu time spent up to now is 3.4 secs Computing kpt #: 20 total cpu time spent up to now is 3.5 secs Computing kpt #: 21 total cpu time spent up to now is 3.7 secs Computing kpt #: 22 total cpu time spent up to now is 3.8 secs Computing kpt #: 23 total cpu time spent up to now is 3.9 secs Computing kpt #: 24 total cpu time spent up to now is 4.0 secs Computing kpt #: 25 total cpu time spent up to now is 4.1 secs Computing kpt #: 26 total cpu time spent up to now is 4.2 secs Computing kpt #: 27 total cpu time spent up to now is 4.3 secs Computing kpt #: 28 total cpu time spent up to now is 4.5 secs Computing kpt #: 29 total cpu time spent up to now is 4.6 secs Computing kpt #: 30 total cpu time spent up to now is 4.7 secs Computing kpt #: 31 total cpu time spent up to now is 4.9 secs Computing kpt #: 32 total cpu time spent up to now is 5.0 secs Computing kpt #: 33 total cpu time spent up to now is 5.2 secs Computing kpt #: 34 total cpu time spent up to now is 5.3 secs Computing kpt #: 35 total cpu time spent up to now is 5.5 secs Computing kpt #: 36 total cpu time spent up to now is 6.1 secs Computing kpt #: 37 total cpu time spent up to now is 6.3 secs Computing kpt #: 38 total cpu time spent up to now is 6.4 secs Computing kpt #: 39 total cpu time spent up to now is 6.6 secs Computing kpt #: 40 total cpu time spent up to now is 6.8 secs Computing kpt #: 41 total cpu time spent up to now is 6.9 secs Computing kpt #: 42 total cpu time spent up to now is 7.0 secs Computing kpt #: 43 total cpu time spent up to now is 7.2 secs Computing kpt #: 44 total cpu time spent up to now is 7.3 secs Computing kpt #: 45 total cpu time spent up to now is 7.4 secs Computing kpt #: 46 total cpu time spent up to now is 7.6 secs Computing kpt #: 47 total cpu time spent up to now is 7.7 secs Computing kpt #: 48 total cpu time spent up to now is 7.8 secs Computing kpt #: 49 total cpu time spent up to now is 7.9 secs Computing kpt #: 50 total cpu time spent up to now is 8.0 secs Computing kpt #: 51 total cpu time spent up to now is 8.1 secs Computing kpt #: 52 total cpu time spent up to now is 8.3 secs Computing kpt #: 53 total cpu time spent up to now is 8.4 secs Computing kpt #: 54 total cpu time spent up to now is 8.5 secs Computing kpt #: 55 total cpu time spent up to now is 8.6 secs Computing kpt #: 56 total cpu time spent up to now is 8.7 secs Computing kpt #: 57 total cpu time spent up to now is 8.8 secs Computing kpt #: 58 total cpu time spent up to now is 8.9 secs Computing kpt #: 59 total cpu time spent up to now is 9.0 secs Computing kpt #: 60 total cpu time spent up to now is 9.1 secs Computing kpt #: 61 total cpu time spent up to now is 9.2 secs Computing kpt #: 62 total cpu time spent up to now is 9.3 secs Computing kpt #: 63 total cpu time spent up to now is 9.4 secs Computing kpt #: 64 total cpu time spent up to now is 9.5 secs Computing kpt #: 65 total cpu time spent up to now is 9.6 secs Computing kpt #: 66 total cpu time spent up to now is 9.7 secs Computing kpt #: 67 total cpu time spent up to now is 9.8 secs Computing kpt #: 68 total cpu time spent up to now is 9.9 secs Computing kpt #: 69 total cpu time spent up to now is 10.0 secs Computing kpt #: 70 total cpu time spent up to now is 10.1 secs Computing kpt #: 71 total cpu time spent up to now is 10.2 secs Computing kpt #: 72 total cpu time spent up to now is 10.3 secs Computing kpt #: 73 total cpu time spent up to now is 10.4 secs Computing kpt #: 74 total cpu time spent up to now is 10.5 secs Computing kpt #: 75 total cpu time spent up to now is 10.7 secs Computing kpt #: 76 total cpu time spent up to now is 10.8 secs Computing kpt #: 77 total cpu time spent up to now is 10.9 secs Computing kpt #: 78 total cpu time spent up to now is 11.0 secs Computing kpt #: 79 total cpu time spent up to now is 11.1 secs Computing kpt #: 80 total cpu time spent up to now is 11.2 secs Computing kpt #: 81 total cpu time spent up to now is 11.3 secs Computing kpt #: 82 total cpu time spent up to now is 11.4 secs Computing kpt #: 83 total cpu time spent up to now is 11.5 secs Computing kpt #: 84 total cpu time spent up to now is 11.6 secs Computing kpt #: 85 total cpu time spent up to now is 11.8 secs Computing kpt #: 86 total cpu time spent up to now is 11.9 secs Computing kpt #: 87 total cpu time spent up to now is 12.0 secs Computing kpt #: 88 total cpu time spent up to now is 12.1 secs Computing kpt #: 89 total cpu time spent up to now is 12.2 secs Computing kpt #: 90 total cpu time spent up to now is 12.4 secs Computing kpt #: 91 total cpu time spent up to now is 12.5 secs Computing kpt #: 92 total cpu time spent up to now is 12.6 secs Computing kpt #: 93 total cpu time spent up to now is 12.8 secs Computing kpt #: 94 total cpu time spent up to now is 12.9 secs Computing kpt #: 95 total cpu time spent up to now is 13.1 secs Computing kpt #: 96 total cpu time spent up to now is 13.3 secs Computing kpt #: 97 total cpu time spent up to now is 13.4 secs Computing kpt #: 98 total cpu time spent up to now is 13.6 secs Computing kpt #: 99 total cpu time spent up to now is 13.7 secs Computing kpt #: 100 total cpu time spent up to now is 13.8 secs Computing kpt #: 101 total cpu time spent up to now is 14.0 secs Computing kpt #: 102 total cpu time spent up to now is 14.1 secs Computing kpt #: 103 total cpu time spent up to now is 14.2 secs Computing kpt #: 104 total cpu time spent up to now is 14.3 secs Computing kpt #: 105 total cpu time spent up to now is 14.5 secs Computing kpt #: 106 total cpu time spent up to now is 14.6 secs Computing kpt #: 107 total cpu time spent up to now is 14.7 secs Computing kpt #: 108 total cpu time spent up to now is 14.8 secs Computing kpt #: 109 total cpu time spent up to now is 14.9 secs Computing kpt #: 110 total cpu time spent up to now is 15.0 secs Computing kpt #: 111 total cpu time spent up to now is 15.2 secs Computing kpt #: 112 total cpu time spent up to now is 15.3 secs Computing kpt #: 113 total cpu time spent up to now is 15.4 secs Computing kpt #: 114 total cpu time spent up to now is 15.6 secs Computing kpt #: 115 total cpu time spent up to now is 15.8 secs Computing kpt #: 116 total cpu time spent up to now is 15.9 secs Computing kpt #: 117 total cpu time spent up to now is 16.1 secs Computing kpt #: 118 total cpu time spent up to now is 16.3 secs Computing kpt #: 119 total cpu time spent up to now is 16.5 secs Computing kpt #: 120 total cpu time spent up to now is 16.7 secs Computing kpt #: 121 total cpu time spent up to now is 16.9 secs Computing kpt #: 122 total cpu time spent up to now is 17.1 secs Computing kpt #: 123 total cpu time spent up to now is 17.2 secs Computing kpt #: 124 total cpu time spent up to now is 17.4 secs Computing kpt #: 125 total cpu time spent up to now is 17.5 secs Computing kpt #: 126 total cpu time spent up to now is 17.7 secs Computing kpt #: 127 total cpu time spent up to now is 17.9 secs Computing kpt #: 128 total cpu time spent up to now is 18.2 secs Computing kpt #: 129 total cpu time spent up to now is 18.4 secs Computing kpt #: 130 total cpu time spent up to now is 18.6 secs Computing kpt #: 131 total cpu time spent up to now is 18.8 secs Computing kpt #: 132 total cpu time spent up to now is 18.9 secs Computing kpt #: 133 total cpu time spent up to now is 19.1 secs Computing kpt #: 134 total cpu time spent up to now is 19.2 secs Computing kpt #: 135 total cpu time spent up to now is 19.4 secs Computing kpt #: 136 total cpu time spent up to now is 19.5 secs Computing kpt #: 137 total cpu time spent up to now is 19.6 secs Computing kpt #: 138 total cpu time spent up to now is 19.7 secs Computing kpt #: 139 total cpu time spent up to now is 19.8 secs Computing kpt #: 140 total cpu time spent up to now is 20.0 secs Computing kpt #: 141 total cpu time spent up to now is 20.1 secs Computing kpt #: 142 total cpu time spent up to now is 20.2 secs Computing kpt #: 143 total cpu time spent up to now is 20.3 secs Computing kpt #: 144 total cpu time spent up to now is 20.4 secs Computing kpt #: 145 total cpu time spent up to now is 20.5 secs Computing kpt #: 146 total cpu time spent up to now is 20.6 secs Computing kpt #: 147 total cpu time spent up to now is 20.7 secs Computing kpt #: 148 total cpu time spent up to now is 20.8 secs Computing kpt #: 149 total cpu time spent up to now is 20.9 secs Computing kpt #: 150 total cpu time spent up to now is 21.0 secs Computing kpt #: 151 total cpu time spent up to now is 21.1 secs Computing kpt #: 152 total cpu time spent up to now is 21.2 secs Computing kpt #: 153 total cpu time spent up to now is 21.3 secs Computing kpt #: 154 total cpu time spent up to now is 21.4 secs Computing kpt #: 155 total cpu time spent up to now is 21.5 secs Computing kpt #: 156 total cpu time spent up to now is 21.5 secs Computing kpt #: 157 total cpu time spent up to now is 21.6 secs Computing kpt #: 158 total cpu time spent up to now is 21.7 secs Computing kpt #: 159 total cpu time spent up to now is 21.8 secs Computing kpt #: 160 total cpu time spent up to now is 21.9 secs Computing kpt #: 161 total cpu time spent up to now is 22.0 secs Computing kpt #: 162 total cpu time spent up to now is 22.1 secs Computing kpt #: 163 total cpu time spent up to now is 22.2 secs Computing kpt #: 164 total cpu time spent up to now is 22.3 secs Computing kpt #: 165 total cpu time spent up to now is 22.4 secs Computing kpt #: 166 total cpu time spent up to now is 22.5 secs Computing kpt #: 167 total cpu time spent up to now is 22.6 secs Computing kpt #: 168 total cpu time spent up to now is 22.7 secs Computing kpt #: 169 total cpu time spent up to now is 22.8 secs Computing kpt #: 170 total cpu time spent up to now is 22.9 secs Computing kpt #: 171 total cpu time spent up to now is 23.0 secs Computing kpt #: 172 total cpu time spent up to now is 23.1 secs Computing kpt #: 173 total cpu time spent up to now is 23.2 secs Computing kpt #: 174 total cpu time spent up to now is 23.3 secs Computing kpt #: 175 total cpu time spent up to now is 23.5 secs Computing kpt #: 176 total cpu time spent up to now is 23.6 secs Computing kpt #: 177 total cpu time spent up to now is 23.7 secs Computing kpt #: 178 total cpu time spent up to now is 23.8 secs Computing kpt #: 179 total cpu time spent up to now is 23.9 secs Computing kpt #: 180 total cpu time spent up to now is 24.0 secs Computing kpt #: 181 total cpu time spent up to now is 24.1 secs Computing kpt #: 182 total cpu time spent up to now is 24.2 secs Computing kpt #: 183 total cpu time spent up to now is 24.3 secs Computing kpt #: 184 total cpu time spent up to now is 24.4 secs Computing kpt #: 185 total cpu time spent up to now is 24.5 secs Computing kpt #: 186 total cpu time spent up to now is 24.6 secs Computing kpt #: 187 total cpu time spent up to now is 24.7 secs Computing kpt #: 188 total cpu time spent up to now is 24.8 secs Computing kpt #: 189 total cpu time spent up to now is 24.9 secs Computing kpt #: 190 total cpu time spent up to now is 25.0 secs Computing kpt #: 191 total cpu time spent up to now is 25.1 secs Computing kpt #: 192 total cpu time spent up to now is 25.2 secs Computing kpt #: 193 total cpu time spent up to now is 25.3 secs Computing kpt #: 194 total cpu time spent up to now is 25.4 secs Computing kpt #: 195 total cpu time spent up to now is 25.5 secs Computing kpt #: 196 total cpu time spent up to now is 25.6 secs Computing kpt #: 197 total cpu time spent up to now is 25.7 secs Computing kpt #: 198 total cpu time spent up to now is 25.8 secs Computing kpt #: 199 total cpu time spent up to now is 25.9 secs Computing kpt #: 200 total cpu time spent up to now is 26.0 secs Computing kpt #: 201 total cpu time spent up to now is 26.0 secs Computing kpt #: 202 total cpu time spent up to now is 26.1 secs Computing kpt #: 203 total cpu time spent up to now is 26.2 secs Computing kpt #: 204 total cpu time spent up to now is 26.3 secs Computing kpt #: 205 total cpu time spent up to now is 26.4 secs Computing kpt #: 206 total cpu time spent up to now is 26.5 secs Computing kpt #: 207 total cpu time spent up to now is 26.6 secs Computing kpt #: 208 total cpu time spent up to now is 26.7 secs Computing kpt #: 209 total cpu time spent up to now is 26.8 secs Computing kpt #: 210 total cpu time spent up to now is 26.9 secs Computing kpt #: 211 total cpu time spent up to now is 27.0 secs Computing kpt #: 212 total cpu time spent up to now is 27.1 secs Computing kpt #: 213 total cpu time spent up to now is 27.2 secs Computing kpt #: 214 total cpu time spent up to now is 27.2 secs Computing kpt #: 215 total cpu time spent up to now is 27.3 secs Computing kpt #: 216 total cpu time spent up to now is 27.4 secs Computing kpt #: 217 total cpu time spent up to now is 27.5 secs Computing kpt #: 218 total cpu time spent up to now is 27.6 secs Computing kpt #: 219 total cpu time spent up to now is 27.7 secs Computing kpt #: 220 total cpu time spent up to now is 27.8 secs Computing kpt #: 221 total cpu time spent up to now is 27.9 secs Computing kpt #: 222 total cpu time spent up to now is 28.0 secs Computing kpt #: 223 total cpu time spent up to now is 28.1 secs Computing kpt #: 224 total cpu time spent up to now is 28.2 secs Computing kpt #: 225 total cpu time spent up to now is 28.3 secs Computing kpt #: 226 total cpu time spent up to now is 28.4 secs Computing kpt #: 227 total cpu time spent up to now is 28.5 secs Computing kpt #: 228 total cpu time spent up to now is 28.6 secs Computing kpt #: 229 total cpu time spent up to now is 28.7 secs Computing kpt #: 230 total cpu time spent up to now is 28.8 secs Computing kpt #: 231 total cpu time spent up to now is 29.0 secs Computing kpt #: 232 total cpu time spent up to now is 29.1 secs Computing kpt #: 233 total cpu time spent up to now is 29.2 secs Computing kpt #: 234 total cpu time spent up to now is 29.3 secs Computing kpt #: 235 total cpu time spent up to now is 29.4 secs Computing kpt #: 236 total cpu time spent up to now is 29.6 secs Computing kpt #: 237 total cpu time spent up to now is 29.7 secs Computing kpt #: 238 total cpu time spent up to now is 29.8 secs Computing kpt #: 239 total cpu time spent up to now is 29.9 secs Computing kpt #: 240 total cpu time spent up to now is 30.1 secs Computing kpt #: 241 total cpu time spent up to now is 30.2 secs Computing kpt #: 242 total cpu time spent up to now is 30.3 secs Computing kpt #: 243 total cpu time spent up to now is 30.4 secs Computing kpt #: 244 total cpu time spent up to now is 30.6 secs Computing kpt #: 245 total cpu time spent up to now is 30.7 secs Computing kpt #: 246 total cpu time spent up to now is 30.8 secs Computing kpt #: 247 total cpu time spent up to now is 30.9 secs Computing kpt #: 248 total cpu time spent up to now is 31.0 secs Computing kpt #: 249 total cpu time spent up to now is 31.2 secs Computing kpt #: 250 total cpu time spent up to now is 31.3 secs Computing kpt #: 251 total cpu time spent up to now is 31.4 secs Computing kpt #: 252 total cpu time spent up to now is 31.5 secs Computing kpt #: 253 total cpu time spent up to now is 31.6 secs Computing kpt #: 254 total cpu time spent up to now is 31.7 secs Computing kpt #: 255 total cpu time spent up to now is 31.8 secs Computing kpt #: 256 total cpu time spent up to now is 31.9 secs Computing kpt #: 257 total cpu time spent up to now is 32.0 secs Computing kpt #: 258 total cpu time spent up to now is 32.1 secs Computing kpt #: 259 total cpu time spent up to now is 32.2 secs Computing kpt #: 260 total cpu time spent up to now is 32.4 secs Computing kpt #: 261 total cpu time spent up to now is 32.5 secs Computing kpt #: 262 total cpu time spent up to now is 32.6 secs Computing kpt #: 263 total cpu time spent up to now is 32.7 secs Computing kpt #: 264 total cpu time spent up to now is 32.8 secs Computing kpt #: 265 total cpu time spent up to now is 32.9 secs Computing kpt #: 266 total cpu time spent up to now is 33.0 secs Computing kpt #: 267 total cpu time spent up to now is 33.1 secs Computing kpt #: 268 total cpu time spent up to now is 33.2 secs Computing kpt #: 269 total cpu time spent up to now is 33.3 secs Computing kpt #: 270 total cpu time spent up to now is 33.5 secs Computing kpt #: 271 total cpu time spent up to now is 33.6 secs Computing kpt #: 272 total cpu time spent up to now is 33.7 secs Computing kpt #: 273 total cpu time spent up to now is 33.8 secs Computing kpt #: 274 total cpu time spent up to now is 33.9 secs Computing kpt #: 275 total cpu time spent up to now is 34.0 secs Computing kpt #: 276 total cpu time spent up to now is 34.2 secs Computing kpt #: 277 total cpu time spent up to now is 34.3 secs Computing kpt #: 278 total cpu time spent up to now is 34.4 secs Computing kpt #: 279 total cpu time spent up to now is 34.6 secs Computing kpt #: 280 total cpu time spent up to now is 34.7 secs Computing kpt #: 281 total cpu time spent up to now is 34.8 secs Computing kpt #: 282 total cpu time spent up to now is 34.9 secs Computing kpt #: 283 total cpu time spent up to now is 35.1 secs Computing kpt #: 284 total cpu time spent up to now is 35.2 secs Computing kpt #: 285 total cpu time spent up to now is 35.3 secs Computing kpt #: 286 total cpu time spent up to now is 35.5 secs Computing kpt #: 287 total cpu time spent up to now is 35.6 secs Computing kpt #: 288 total cpu time spent up to now is 35.7 secs Computing kpt #: 289 total cpu time spent up to now is 35.9 secs Computing kpt #: 290 total cpu time spent up to now is 36.0 secs Computing kpt #: 291 total cpu time spent up to now is 36.1 secs Computing kpt #: 292 total cpu time spent up to now is 36.3 secs Computing kpt #: 293 total cpu time spent up to now is 36.4 secs Computing kpt #: 294 total cpu time spent up to now is 36.5 secs Computing kpt #: 295 total cpu time spent up to now is 36.7 secs Computing kpt #: 296 total cpu time spent up to now is 36.9 secs Computing kpt #: 297 total cpu time spent up to now is 37.2 secs Computing kpt #: 298 total cpu time spent up to now is 37.3 secs Computing kpt #: 299 total cpu time spent up to now is 37.5 secs Computing kpt #: 300 total cpu time spent up to now is 37.6 secs Computing kpt #: 301 total cpu time spent up to now is 37.7 secs Computing kpt #: 302 total cpu time spent up to now is 37.9 secs Computing kpt #: 303 total cpu time spent up to now is 38.0 secs Computing kpt #: 304 total cpu time spent up to now is 38.1 secs Computing kpt #: 305 total cpu time spent up to now is 38.3 secs Computing kpt #: 306 total cpu time spent up to now is 38.4 secs Computing kpt #: 307 total cpu time spent up to now is 38.5 secs Computing kpt #: 308 total cpu time spent up to now is 38.7 secs Computing kpt #: 309 total cpu time spent up to now is 38.8 secs Computing kpt #: 310 total cpu time spent up to now is 39.0 secs Computing kpt #: 311 total cpu time spent up to now is 39.1 secs Computing kpt #: 312 total cpu time spent up to now is 39.3 secs Computing kpt #: 313 total cpu time spent up to now is 39.4 secs Computing kpt #: 314 total cpu time spent up to now is 39.6 secs Computing kpt #: 315 total cpu time spent up to now is 39.7 secs Computing kpt #: 316 total cpu time spent up to now is 39.8 secs Computing kpt #: 317 total cpu time spent up to now is 40.0 secs Computing kpt #: 318 total cpu time spent up to now is 40.1 secs Computing kpt #: 319 total cpu time spent up to now is 40.2 secs Computing kpt #: 320 total cpu time spent up to now is 40.4 secs Computing kpt #: 321 total cpu time spent up to now is 40.5 secs Computing kpt #: 322 total cpu time spent up to now is 40.6 secs Computing kpt #: 323 total cpu time spent up to now is 40.8 secs Computing kpt #: 324 total cpu time spent up to now is 41.2 secs Computing kpt #: 325 total cpu time spent up to now is 41.3 secs Computing kpt #: 326 total cpu time spent up to now is 41.4 secs Computing kpt #: 327 total cpu time spent up to now is 41.5 secs Computing kpt #: 328 total cpu time spent up to now is 41.6 secs Computing kpt #: 329 total cpu time spent up to now is 41.8 secs Computing kpt #: 330 total cpu time spent up to now is 41.9 secs Computing kpt #: 331 total cpu time spent up to now is 42.0 secs Computing kpt #: 332 total cpu time spent up to now is 42.1 secs Computing kpt #: 333 total cpu time spent up to now is 42.2 secs Computing kpt #: 334 total cpu time spent up to now is 42.3 secs Computing kpt #: 335 total cpu time spent up to now is 42.4 secs Computing kpt #: 336 total cpu time spent up to now is 42.5 secs Computing kpt #: 337 total cpu time spent up to now is 42.6 secs Computing kpt #: 338 total cpu time spent up to now is 42.7 secs Computing kpt #: 339 total cpu time spent up to now is 42.8 secs Computing kpt #: 340 total cpu time spent up to now is 42.9 secs Computing kpt #: 341 total cpu time spent up to now is 43.0 secs Computing kpt #: 342 total cpu time spent up to now is 43.1 secs Computing kpt #: 343 total cpu time spent up to now is 43.2 secs Computing kpt #: 344 total cpu time spent up to now is 43.3 secs Computing kpt #: 345 total cpu time spent up to now is 43.4 secs Computing kpt #: 346 total cpu time spent up to now is 43.5 secs Computing kpt #: 347 total cpu time spent up to now is 43.6 secs Computing kpt #: 348 total cpu time spent up to now is 43.6 secs Computing kpt #: 349 total cpu time spent up to now is 43.7 secs Computing kpt #: 350 total cpu time spent up to now is 43.8 secs Computing kpt #: 351 total cpu time spent up to now is 43.9 secs Computing kpt #: 352 total cpu time spent up to now is 44.0 secs Computing kpt #: 353 total cpu time spent up to now is 44.1 secs Computing kpt #: 354 total cpu time spent up to now is 44.2 secs Computing kpt #: 355 total cpu time spent up to now is 44.3 secs Computing kpt #: 356 total cpu time spent up to now is 44.4 secs Computing kpt #: 357 total cpu time spent up to now is 44.5 secs Computing kpt #: 358 total cpu time spent up to now is 44.6 secs Computing kpt #: 359 total cpu time spent up to now is 44.7 secs Computing kpt #: 360 total cpu time spent up to now is 44.7 secs Computing kpt #: 361 total cpu time spent up to now is 44.8 secs Computing kpt #: 362 total cpu time spent up to now is 44.9 secs Computing kpt #: 363 total cpu time spent up to now is 45.0 secs Computing kpt #: 364 total cpu time spent up to now is 45.1 secs Computing kpt #: 365 total cpu time spent up to now is 45.2 secs Computing kpt #: 366 total cpu time spent up to now is 45.3 secs Computing kpt #: 367 total cpu time spent up to now is 45.4 secs Computing kpt #: 368 total cpu time spent up to now is 45.6 secs Computing kpt #: 369 total cpu time spent up to now is 45.7 secs Computing kpt #: 370 total cpu time spent up to now is 45.8 secs Computing kpt #: 371 total cpu time spent up to now is 45.9 secs Computing kpt #: 372 total cpu time spent up to now is 46.0 secs Computing kpt #: 373 total cpu time spent up to now is 46.1 secs Computing kpt #: 374 total cpu time spent up to now is 46.2 secs Computing kpt #: 375 total cpu time spent up to now is 46.3 secs Computing kpt #: 376 total cpu time spent up to now is 46.5 secs Computing kpt #: 377 total cpu time spent up to now is 46.6 secs Computing kpt #: 378 total cpu time spent up to now is 46.7 secs Computing kpt #: 379 total cpu time spent up to now is 46.8 secs Computing kpt #: 380 total cpu time spent up to now is 46.9 secs Computing kpt #: 381 total cpu time spent up to now is 47.1 secs Computing kpt #: 382 total cpu time spent up to now is 47.2 secs Computing kpt #: 383 total cpu time spent up to now is 47.3 secs Computing kpt #: 384 total cpu time spent up to now is 47.4 secs Computing kpt #: 385 total cpu time spent up to now is 47.5 secs Computing kpt #: 386 total cpu time spent up to now is 47.7 secs Computing kpt #: 387 total cpu time spent up to now is 47.8 secs Computing kpt #: 388 total cpu time spent up to now is 47.9 secs Computing kpt #: 389 total cpu time spent up to now is 48.0 secs Computing kpt #: 390 total cpu time spent up to now is 48.1 secs Computing kpt #: 391 total cpu time spent up to now is 48.2 secs Computing kpt #: 392 total cpu time spent up to now is 48.3 secs Computing kpt #: 393 total cpu time spent up to now is 48.4 secs Computing kpt #: 394 total cpu time spent up to now is 48.6 secs Computing kpt #: 395 total cpu time spent up to now is 48.7 secs Computing kpt #: 396 total cpu time spent up to now is 48.8 secs Computing kpt #: 397 total cpu time spent up to now is 48.9 secs Computing kpt #: 398 total cpu time spent up to now is 49.0 secs Computing kpt #: 399 total cpu time spent up to now is 49.1 secs Computing kpt #: 400 total cpu time spent up to now is 49.2 secs Computing kpt #: 401 total cpu time spent up to now is 49.3 secs Computing kpt #: 402 total cpu time spent up to now is 49.5 secs Computing kpt #: 403 total cpu time spent up to now is 49.6 secs Computing kpt #: 404 total cpu time spent up to now is 49.8 secs Computing kpt #: 405 total cpu time spent up to now is 49.9 secs Computing kpt #: 406 total cpu time spent up to now is 50.1 secs Computing kpt #: 407 total cpu time spent up to now is 50.3 secs Computing kpt #: 408 total cpu time spent up to now is 50.4 secs Computing kpt #: 409 total cpu time spent up to now is 50.6 secs Computing kpt #: 410 total cpu time spent up to now is 50.7 secs Computing kpt #: 411 total cpu time spent up to now is 50.9 secs Computing kpt #: 412 total cpu time spent up to now is 51.0 secs Computing kpt #: 413 total cpu time spent up to now is 51.2 secs Computing kpt #: 414 total cpu time spent up to now is 51.3 secs Computing kpt #: 415 total cpu time spent up to now is 51.5 secs Computing kpt #: 416 total cpu time spent up to now is 51.6 secs Computing kpt #: 417 total cpu time spent up to now is 51.8 secs Computing kpt #: 418 total cpu time spent up to now is 52.0 secs Computing kpt #: 419 total cpu time spent up to now is 52.1 secs Computing kpt #: 420 total cpu time spent up to now is 52.3 secs Computing kpt #: 421 total cpu time spent up to now is 52.4 secs Computing kpt #: 422 total cpu time spent up to now is 52.6 secs Computing kpt #: 423 total cpu time spent up to now is 52.7 secs Computing kpt #: 424 total cpu time spent up to now is 52.9 secs Computing kpt #: 425 total cpu time spent up to now is 53.0 secs Computing kpt #: 426 total cpu time spent up to now is 53.2 secs Computing kpt #: 427 total cpu time spent up to now is 53.3 secs Computing kpt #: 428 total cpu time spent up to now is 53.5 secs Computing kpt #: 429 total cpu time spent up to now is 53.7 secs Computing kpt #: 430 total cpu time spent up to now is 53.8 secs Computing kpt #: 431 total cpu time spent up to now is 54.0 secs Computing kpt #: 432 total cpu time spent up to now is 54.1 secs Computing kpt #: 433 total cpu time spent up to now is 54.3 secs Computing kpt #: 434 total cpu time spent up to now is 54.4 secs Computing kpt #: 435 total cpu time spent up to now is 54.6 secs Computing kpt #: 436 total cpu time spent up to now is 54.7 secs ethr = 4.55E-08, avg # of iterations = 15.5 total cpu time spent up to now is 54.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1423 PWs) bands (ev): -14.2334 -14.2334 -13.0499 -13.0499 -1.1023 -1.1023 -0.1897 -0.1897 -0.1388 -0.1388 1.6578 1.6578 1.6765 1.6765 2.4204 2.4204 2.4838 2.4838 2.5156 2.5156 3.0154 3.0154 4.1848 4.1848 4.2126 4.2126 8.1813 8.1813 12.7761 12.7761 k = 0.0085 0.0049-0.0000 ( 1425 PWs) bands (ev): -14.2329 -14.2329 -13.0498 -13.0498 -1.1014 -1.1014 -0.1896 -0.1896 -0.1387 -0.1387 1.6568 1.6568 1.6754 1.6754 2.4143 2.4143 2.4864 2.4864 2.5175 2.5175 3.0149 3.0149 4.1843 4.1843 4.2121 4.2121 8.1845 8.1845 12.7790 12.7790 k = 0.0169 0.0098-0.0000 ( 1429 PWs) bands (ev): -14.2314 -14.2314 -13.0497 -13.0497 -1.0989 -1.0989 -0.1894 -0.1894 -0.1385 -0.1385 1.6536 1.6536 1.6722 1.6722 2.3989 2.3989 2.4917 2.4917 2.5229 2.5229 3.0135 3.0135 4.1829 4.1829 4.2109 4.2109 8.1941 8.1941 12.7877 12.7877 k = 0.0254 0.0147-0.0000 ( 1435 PWs) bands (ev): -14.2290 -14.2290 -13.0495 -13.0495 -1.0947 -1.0947 -0.1890 -0.1890 -0.1381 -0.1381 1.6481 1.6481 1.6667 1.6667 2.3780 2.3780 2.4967 2.4967 2.5310 2.5310 3.0112 3.0112 4.1806 4.1806 4.2089 4.2089 8.2100 8.2100 12.8022 12.8022 k = 0.0339 0.0196-0.0000 ( 1431 PWs) bands (ev): -14.2256 -14.2256 -13.0493 -13.0493 -1.0888 -1.0888 -0.1885 -0.1885 -0.1373 -0.1373 1.6404 1.6404 1.6594 1.6594 2.3538 2.3538 2.5013 2.5013 2.5402 2.5402 3.0079 3.0079 4.1772 4.1772 4.2064 4.2064 8.2321 8.2321 12.8224 12.8224 k = 0.0424 0.0245-0.0000 ( 1435 PWs) bands (ev): -14.2212 -14.2212 -13.0490 -13.0490 -1.0813 -1.0813 -0.1880 -0.1880 -0.1361 -0.1361 1.6300 1.6300 1.6500 1.6500 2.3273 2.3273 2.5057 2.5057 2.5493 2.5493 3.0037 3.0037 4.1726 4.1726 4.2037 4.2037 8.2604 8.2604 12.8482 12.8482 k = 0.0508 0.0294-0.0000 ( 1437 PWs) bands (ev): -14.2158 -14.2158 -13.0486 -13.0486 -1.0722 -1.0722 -0.1875 -0.1875 -0.1345 -0.1345 1.6167 1.6167 1.6389 1.6389 2.2992 2.2992 2.5101 2.5101 2.5578 2.5578 2.9983 2.9983 4.1666 4.1666 4.2008 4.2008 8.2945 8.2945 12.8796 12.8796 k = 0.0593 0.0342-0.0000 ( 1441 PWs) bands (ev): -14.2095 -14.2095 -13.0481 -13.0481 -1.0614 -1.0614 -0.1872 -0.1872 -0.1324 -0.1324 1.5998 1.5998 1.6265 1.6265 2.2701 2.2701 2.5146 2.5146 2.5653 2.5653 2.9919 2.9919 4.1592 4.1592 4.1979 4.1979 8.3344 8.3344 12.9164 12.9164 k = 0.0678 0.0391-0.0000 ( 1445 PWs) bands (ev): -14.2022 -14.2022 -13.0476 -13.0476 -1.0490 -1.0490 -0.1872 -0.1872 -0.1297 -0.1297 1.5791 1.5791 1.6130 1.6130 2.2407 2.2407 2.5192 2.5192 2.5719 2.5719 2.9842 2.9842 4.1506 4.1506 4.1951 4.1951 8.3797 8.3797 12.9584 12.9584 k = 0.0763 0.0440-0.0000 ( 1445 PWs) bands (ev): -14.1941 -14.1941 -13.0470 -13.0470 -1.0349 -1.0349 -0.1873 -0.1873 -0.1262 -0.1262 1.5541 1.5541 1.5985 1.5985 2.2115 2.2115 2.5237 2.5237 2.5775 2.5775 2.9754 2.9754 4.1409 4.1409 4.1924 4.1924 8.4302 8.4302 13.0056 13.0056 k = 0.0847 0.0489-0.0000 ( 1449 PWs) bands (ev): -14.1850 -14.1850 -13.0464 -13.0464 -1.0194 -1.0194 -0.1878 -0.1878 -0.1220 -0.1220 1.5247 1.5247 1.5832 1.5832 2.1829 2.1829 2.5280 2.5280 2.5822 2.5822 2.9651 2.9651 4.1302 4.1302 4.1897 4.1897 8.4857 8.4857 13.0578 13.0578 k = 0.0932 0.0538-0.0000 ( 1441 PWs) bands (ev): -14.1750 -14.1750 -13.0458 -13.0458 -1.0022 -1.0022 -0.1884 -0.1884 -0.1171 -0.1171 1.4906 1.4906 1.5672 1.5672 2.1558 2.1558 2.5321 2.5321 2.5861 2.5861 2.9534 2.9534 4.1188 4.1188 4.1872 4.1872 8.5459 8.5459 13.1147 13.1147 k = 0.1017 0.0587-0.0000 ( 1437 PWs) bands (ev): -14.1641 -14.1641 -13.0451 -13.0451 -0.9836 -0.9836 -0.1893 -0.1893 -0.1114 -0.1114 1.4518 1.4518 1.5505 1.5505 2.1301 2.1301 2.5356 2.5356 2.5891 2.5891 2.9402 2.9402 4.1069 4.1069 4.1849 4.1849 8.6105 8.6105 13.1761 13.1761 k = 0.1102 0.0636-0.0000 ( 1441 PWs) bands (ev): -14.1524 -14.1524 -13.0444 -13.0444 -0.9635 -0.9635 -0.1905 -0.1905 -0.1051 -0.1051 1.4083 1.4083 1.5332 1.5332 2.1063 2.1063 2.5385 2.5385 2.5912 2.5912 2.9253 2.9253 4.0946 4.0946 4.1826 4.1826 8.6791 8.6791 13.2419 13.2419 k = 0.1186 0.0685-0.0000 ( 1441 PWs) bands (ev): -14.1398 -14.1398 -13.0436 -13.0436 -0.9419 -0.9419 -0.1917 -0.1917 -0.0982 -0.0982 1.3604 1.3604 1.5155 1.5155 2.0845 2.0845 2.5408 2.5408 2.5926 2.5926 2.9087 2.9087 4.0821 4.0821 4.1805 4.1805 8.7515 8.7515 13.3119 13.3119 k = 0.1271 0.0734-0.0000 ( 1441 PWs) bands (ev): -14.1264 -14.1264 -13.0429 -13.0429 -0.9190 -0.9190 -0.1929 -0.1929 -0.0907 -0.0907 1.3081 1.3081 1.4975 1.4975 2.0647 2.0647 2.5422 2.5422 2.5932 2.5932 2.8904 2.8904 4.0697 4.0697 4.1786 4.1786 8.8274 8.8274 13.3858 13.3858 k = 0.1356 0.0783-0.0000 ( 1445 PWs) bands (ev): -14.1122 -14.1122 -13.0421 -13.0421 -0.8948 -0.8948 -0.1942 -0.1942 -0.0827 -0.0827 1.2520 1.2520 1.4792 1.4792 2.0468 2.0468 2.5426 2.5426 2.5928 2.5928 2.8704 2.8704 4.0574 4.0574 4.1770 4.1770 8.9065 8.9065 13.4634 13.4634 k = 0.1441 0.0832-0.0000 ( 1445 PWs) bands (ev): -14.0973 -14.0973 -13.0414 -13.0414 -0.8693 -0.8693 -0.1953 -0.1953 -0.0742 -0.0742 1.1926 1.1926 1.4609 1.4609 2.0307 2.0307 2.5421 2.5421 2.5916 2.5916 2.8486 2.8486 4.0456 4.0456 4.1756 4.1756 8.9884 8.9884 13.5444 13.5444 k = 0.1525 0.0881-0.0000 ( 1441 PWs) bands (ev): -14.0816 -14.0816 -13.0406 -13.0406 -0.8426 -0.8426 -0.1962 -0.1962 -0.0652 -0.0652 1.1302 1.1302 1.4426 1.4426 2.0163 2.0163 2.5404 2.5404 2.5893 2.5893 2.8254 2.8254 4.0342 4.0342 4.1745 4.1745 9.0731 9.0731 13.6286 13.6286 k = 0.1610 0.0930-0.0000 ( 1437 PWs) bands (ev): -14.0652 -14.0652 -13.0399 -13.0399 -0.8148 -0.8148 -0.1969 -0.1969 -0.0559 -0.0559 1.0654 1.0654 1.4244 1.4244 2.0032 2.0032 2.5375 2.5375 2.5858 2.5858 2.8008 2.8008 4.0234 4.0234 4.1737 4.1737 9.1601 9.1601 13.7158 13.7158 k = 0.1695 0.0979-0.0000 ( 1433 PWs) bands (ev): -14.0481 -14.0481 -13.0393 -13.0393 -0.7860 -0.7860 -0.1972 -0.1972 -0.0462 -0.0462 0.9986 0.9986 1.4064 1.4064 1.9914 1.9914 2.5332 2.5332 2.5807 2.5807 2.7753 2.7753 4.0133 4.0133 4.1734 4.1734 9.2492 9.2492 13.8056 13.8056 k = 0.1780 0.1027-0.0000 ( 1437 PWs) bands (ev): -14.0304 -14.0304 -13.0387 -13.0387 -0.7564 -0.7564 -0.1972 -0.1972 -0.0363 -0.0363 0.9302 0.9302 1.3888 1.3888 1.9805 1.9805 2.5272 2.5272 2.5740 2.5740 2.7494 2.7494 4.0038 4.0038 4.1733 4.1733 9.3401 9.3401 13.8979 13.8979 k = 0.1864 0.1076-0.0000 ( 1437 PWs) bands (ev): -14.0121 -14.0121 -13.0381 -13.0381 -0.7260 -0.7260 -0.1966 -0.1966 -0.0261 -0.0261 0.8607 0.8607 1.3716 1.3716 1.9705 1.9705 2.5190 2.5190 2.5652 2.5652 2.7239 2.7239 3.9952 3.9952 4.1737 4.1737 9.4326 9.4326 13.9923 13.9923 k = 0.1949 0.1125-0.0000 ( 1435 PWs) bands (ev): -13.9932 -13.9932 -13.0377 -13.0377 -0.6952 -0.6952 -0.1955 -0.1955 -0.0157 -0.0157 0.7906 0.7906 1.3549 1.3549 1.9611 1.9611 2.5080 2.5080 2.5545 2.5545 2.6996 2.6996 3.9873 3.9873 4.1746 4.1746 9.5265 9.5265 14.0886 14.0886 k = 0.2034 0.1174-0.0000 ( 1435 PWs) bands (ev): -13.9737 -13.9737 -13.0373 -13.0373 -0.6640 -0.6640 -0.1935 -0.1935 -0.0052 -0.0052 0.7204 0.7204 1.3389 1.3389 1.9522 1.9522 2.4928 2.4928 2.5421 2.5421 2.6775 2.6775 3.9802 3.9802 4.1758 4.1758 9.6216 9.6216 14.1864 14.1864 k = 0.2119 0.1223-0.0000 ( 1435 PWs) bands (ev): -13.9538 -13.9538 -13.0370 -13.0370 -0.6330 -0.6330 -0.1907 -0.1907 0.0054 0.0054 0.6503 0.6503 1.3236 1.3236 1.9436 1.9436 2.4724 2.4724 2.5289 2.5289 2.6582 2.6582 3.9738 3.9738 4.1775 4.1775 9.7177 9.7177 14.2854 14.2854 k = 0.2203 0.1272-0.0000 ( 1439 PWs) bands (ev): -13.9334 -13.9334 -13.0369 -13.0369 -0.6023 -0.6023 -0.1867 -0.1867 0.0159 0.0159 0.5810 0.5810 1.3090 1.3090 1.9352 1.9352 2.4462 2.4462 2.5156 2.5156 2.6416 2.6416 3.9681 3.9681 4.1796 4.1796 9.8144 9.8144 14.3853 14.3853 k = 0.2288 0.1321-0.0000 ( 1435 PWs) bands (ev): -13.9125 -13.9125 -13.0369 -13.0369 -0.5726 -0.5726 -0.1813 -0.1813 0.0265 0.0265 0.5129 0.5129 1.2953 1.2953 1.9268 1.9268 2.4149 2.4149 2.5021 2.5021 2.6273 2.6273 3.9631 3.9631 4.1821 4.1821 9.9118 9.9118 14.4855 14.4855 k = 0.2373 0.1370-0.0000 ( 1433 PWs) bands (ev): -13.8913 -13.8913 -13.0370 -13.0370 -0.5446 -0.5446 -0.1743 -0.1743 0.0370 0.0370 0.4465 0.4465 1.2827 1.2827 1.9182 1.9182 2.3797 2.3797 2.4882 2.4882 2.6147 2.6147 3.9586 3.9586 4.1851 4.1851 10.0095 10.0095 14.5856 14.5856 k = 0.2458 0.1419-0.0000 ( 1433 PWs) bands (ev): -13.8697 -13.8697 -13.0373 -13.0373 -0.5190 -0.5190 -0.1650 -0.1650 0.0473 0.0473 0.3824 0.3824 1.2710 1.2710 1.9093 1.9093 2.3418 2.3418 2.4737 2.4737 2.6032 2.6032 3.9547 3.9547 4.1884 4.1884 10.1075 10.1075 14.6847 14.6847 k = 0.2542 0.1468-0.0000 ( 1429 PWs) bands (ev): -13.8478 -13.8478 -13.0378 -13.0378 -0.4969 -0.4969 -0.1531 -0.1531 0.0574 0.0574 0.3214 0.3214 1.2605 1.2605 1.8998 1.8998 2.3021 2.3021 2.4584 2.4584 2.5923 2.5923 3.9513 3.9513 4.1920 4.1920 10.2056 10.2056 14.7818 14.7818 k = 0.2627 0.1517-0.0000 ( 1433 PWs) bands (ev): -13.8257 -13.8257 -13.0384 -13.0384 -0.4794 -0.4794 -0.1382 -0.1382 0.0672 0.0672 0.2643 0.2643 1.2512 1.2512 1.8893 1.8893 2.2614 2.2614 2.4421 2.4421 2.5817 2.5817 3.9482 3.9482 4.1960 4.1960 10.3035 10.3035 14.8749 14.8749 k = 0.2712 0.1566-0.0000 ( 1439 PWs) bands (ev): -13.8034 -13.8034 -13.0393 -13.0393 -0.4677 -0.4677 -0.1198 -0.1198 0.0766 0.0766 0.2120 0.2120 1.2431 1.2431 1.8775 1.8775 2.2207 2.2207 2.4249 2.4249 2.5712 2.5712 3.9455 3.9455 4.2003 4.2003 10.4012 10.4012 14.9607 14.9607 k = 0.2797 0.1615-0.0000 ( 1433 PWs) bands (ev): -13.7809 -13.7809 -13.0404 -13.0404 -0.4629 -0.4629 -0.0978 -0.0978 0.0856 0.0856 0.1658 0.1658 1.2363 1.2363 1.8640 1.8640 2.1807 2.1807 2.4068 2.4068 2.5607 2.5607 3.9431 3.9431 4.2048 4.2048 10.4986 10.4986 15.0320 15.0320 k = 0.2881 0.1664-0.0000 ( 1431 PWs) bands (ev): -13.7583 -13.7583 -13.0417 -13.0417 -0.4658 -0.4658 -0.0725 -0.0725 0.0933 0.0933 0.1273 0.1273 1.2308 1.2308 1.8482 1.8482 2.1422 2.1422 2.3878 2.3878 2.5500 2.5500 3.9410 3.9410 4.2096 4.2096 10.5955 10.5955 15.0755 15.0755 k = 0.2966 0.1712-0.0000 ( 1435 PWs) bands (ev): -13.7356 -13.7356 -13.0433 -13.0433 -0.4766 -0.4766 -0.0447 -0.0447 0.0896 0.0896 0.1079 0.1079 1.2268 1.2268 1.8295 1.8295 2.1062 2.1062 2.3678 2.3678 2.5389 2.5389 3.9391 3.9391 4.2145 4.2145 10.6918 10.6918 15.0735 15.0735 k = 0.3051 0.1761-0.0000 ( 1435 PWs) bands (ev): -13.7129 -13.7129 -13.0451 -13.0451 -0.4950 -0.4950 -0.0162 -0.0162 0.0704 0.0704 0.1132 0.1132 1.2241 1.2241 1.8073 1.8073 2.0733 2.0733 2.3471 2.3471 2.5276 2.5276 3.9373 3.9373 4.2196 4.2196 10.7875 10.7875 15.0234 15.0234 k = 0.3136 0.1810-0.0000 ( 1431 PWs) bands (ev): -13.6902 -13.6902 -13.0473 -13.0473 -0.5203 -0.5203 0.0078 0.0078 0.0627 0.0627 0.1207 0.1207 1.2229 1.2229 1.7814 1.7814 2.0442 2.0442 2.3257 2.3257 2.5160 2.5160 3.9357 3.9357 4.2248 4.2248 10.8824 10.8824 14.9422 14.9422 k = 0.3220 0.1859-0.0000 ( 1429 PWs) bands (ev): -13.6676 -13.6676 -13.0497 -13.0497 -0.5513 -0.5513 0.0175 0.0175 0.0767 0.0767 0.1286 0.1286 1.2231 1.2231 1.7517 1.7517 2.0190 2.0190 2.3035 2.3035 2.5040 2.5040 3.9343 3.9343 4.2301 4.2301 10.9765 10.9765 14.8459 14.8459 k = 0.3305 0.1908-0.0000 ( 1429 PWs) bands (ev): -13.6452 -13.6452 -13.0524 -13.0524 -0.5866 -0.5866 0.0187 0.0187 0.1034 0.1034 0.1385 0.1385 1.2247 1.2247 1.7186 1.7186 1.9974 1.9974 2.2807 2.2807 2.4916 2.4916 3.9329 3.9329 4.2354 4.2354 11.0696 11.0696 14.7432 14.7432 k = 0.3390 0.1957-0.0000 ( 1433 PWs) bands (ev): -13.6229 -13.6229 -13.0555 -13.0555 -0.6248 -0.6248 0.0208 0.0208 0.1254 0.1254 0.1573 0.1573 1.2276 1.2276 1.6830 1.6830 1.9789 1.9789 2.2574 2.2574 2.4789 2.4789 3.9317 3.9317 4.2406 4.2406 11.1618 11.1618 14.6380 14.6380 k = 0.3475 0.2006-0.0000 ( 1429 PWs) bands (ev): -13.6008 -13.6008 -13.0588 -13.0588 -0.6647 -0.6647 0.0256 0.0256 0.1362 0.1362 0.1882 0.1882 1.2320 1.2320 1.6456 1.6456 1.9629 1.9629 2.2337 2.2337 2.4659 2.4659 3.9305 3.9305 4.2459 4.2459 11.2531 11.2531 14.5323 14.5323 k = 0.3559 0.2055-0.0000 ( 1427 PWs) bands (ev): -13.5791 -13.5791 -13.0626 -13.0626 -0.7054 -0.7054 0.0333 0.0333 0.1426 0.1426 0.2230 0.2230 1.2377 1.2377 1.6074 1.6074 1.9487 1.9487 2.2096 2.2096 2.4527 2.4527 3.9294 3.9294 4.2511 4.2511 11.3432 11.3432 14.4272 14.4272 k = 0.3644 0.2104-0.0000 ( 1427 PWs) bands (ev): -13.5576 -13.5576 -13.0666 -13.0666 -0.7460 -0.7460 0.0435 0.0435 0.1476 0.1476 0.2582 0.2582 1.2445 1.2445 1.5691 1.5691 1.9358 1.9358 2.1854 2.1854 2.4393 2.4393 3.9283 3.9283 4.2561 4.2561 11.4323 11.4323 14.3233 14.3233 k = 0.3729 0.2153-0.0000 ( 1427 PWs) bands (ev): -13.5366 -13.5366 -13.0710 -13.0710 -0.7860 -0.7860 0.0559 0.0559 0.1519 0.1519 0.2926 0.2926 1.2524 1.2524 1.5314 1.5314 1.9238 1.9238 2.1611 2.1611 2.4258 2.4258 3.9273 3.9273 4.2610 4.2610 11.5203 11.5203 14.2210 14.2210 k = 0.3814 0.2202-0.0000 ( 1427 PWs) bands (ev): -13.5160 -13.5160 -13.0757 -13.0757 -0.8247 -0.8247 0.0700 0.0700 0.1557 0.1557 0.3255 0.3255 1.2613 1.2613 1.4950 1.4950 1.9123 1.9123 2.1368 2.1368 2.4124 2.4124 3.9263 3.9263 4.2657 4.2657 11.6072 11.6072 14.1204 14.1204 k = 0.3898 0.2251-0.0000 ( 1419 PWs) bands (ev): -13.4959 -13.4959 -13.0808 -13.0808 -0.8619 -0.8619 0.0856 0.0856 0.1593 0.1593 0.3562 0.3562 1.2711 1.2711 1.4606 1.4606 1.9012 1.9012 2.1127 2.1127 2.3991 2.3991 3.9255 3.9255 4.2703 4.2703 11.6930 11.6930 14.0217 14.0217 k = 0.3983 0.2300-0.0000 ( 1419 PWs) bands (ev): -13.4764 -13.4764 -13.0861 -13.0861 -0.8973 -0.8973 0.1022 0.1022 0.1631 0.1631 0.3841 0.3841 1.2813 1.2813 1.4286 1.4286 1.8902 1.8902 2.0889 2.0889 2.3860 2.3860 3.9246 3.9246 4.2745 4.2745 11.7776 11.7776 13.9250 13.9250 k = 0.4068 0.2349-0.0000 ( 1419 PWs) bands (ev): -13.4575 -13.4575 -13.0918 -13.0918 -0.9305 -0.9305 0.1187 0.1187 0.1677 0.1677 0.4088 0.4088 1.2918 1.2918 1.3999 1.3999 1.8792 1.8792 2.0655 2.0655 2.3734 2.3734 3.9238 3.9238 4.2786 4.2786 11.8611 11.8611 13.8304 13.8304 k = 0.4153 0.2397-0.0000 ( 1415 PWs) bands (ev): -13.4394 -13.4394 -13.0977 -13.0977 -0.9613 -0.9613 0.1338 0.1338 0.1749 0.1749 0.4296 0.4296 1.3017 1.3017 1.3755 1.3755 1.8682 1.8682 2.0429 2.0429 2.3612 2.3612 3.9231 3.9231 4.2824 4.2824 11.9433 11.9433 13.7380 13.7380 k = 0.4237 0.2446-0.0000 ( 1417 PWs) bands (ev): -13.4221 -13.4221 -13.1038 -13.1038 -0.9896 -0.9896 0.1449 0.1449 0.1866 0.1866 0.4462 0.4462 1.3091 1.3091 1.3573 1.3573 1.8572 1.8572 2.0211 2.0211 2.3498 2.3498 3.9224 3.9224 4.2858 4.2858 12.0242 12.0242 13.6477 13.6477 k = 0.4322 0.2495-0.0000 ( 1417 PWs) bands (ev): -13.4058 -13.4058 -13.1100 -13.1100 -1.0153 -1.0153 0.1514 0.1514 0.2036 0.2036 0.4580 0.4580 1.3095 1.3095 1.3500 1.3500 1.8462 1.8462 2.0004 2.0004 2.3391 2.3391 3.9218 3.9218 4.2889 4.2889 12.1037 12.1037 13.5599 13.5599 k = 0.4407 0.2544-0.0000 ( 1416 PWs) bands (ev): -13.3905 -13.3905 -13.1163 -13.1163 -1.0382 -1.0382 0.1549 0.1549 0.2240 0.2240 0.4650 0.4650 1.3024 1.3024 1.3537 1.3537 1.8355 1.8355 1.9811 1.9811 2.3294 2.3294 3.9213 3.9213 4.2917 4.2917 12.1814 12.1814 13.4748 13.4748 k = 0.4492 0.2593-0.0000 ( 1416 PWs) bands (ev): -13.3765 -13.3765 -13.1224 -13.1224 -1.0583 -1.0583 0.1570 0.1570 0.2462 0.2462 0.4671 0.4671 1.2939 1.2939 1.3620 1.3620 1.8253 1.8253 1.9635 1.9635 2.3207 2.3207 3.9208 3.9208 4.2942 4.2942 12.2571 12.2571 13.3927 13.3927 k = 0.4576 0.2642-0.0000 ( 1412 PWs) bands (ev): -13.3639 -13.3639 -13.1283 -13.1283 -1.0754 -1.0754 0.1584 0.1584 0.2693 0.2693 0.4645 0.4645 1.2870 1.2870 1.3711 1.3711 1.8157 1.8157 1.9479 1.9479 2.3133 2.3133 3.9205 3.9205 4.2963 4.2963 12.3300 12.3300 13.3144 13.3144 k = 0.4661 0.2691-0.0000 ( 1412 PWs) bands (ev): -13.3530 -13.3530 -13.1337 -13.1337 -1.0894 -1.0894 0.1593 0.1593 0.2926 0.2926 0.4576 0.4576 1.2822 1.2822 1.3796 1.3796 1.8071 1.8071 1.9345 1.9345 2.3070 2.3070 3.9201 3.9201 4.2981 4.2981 12.3989 12.3989 13.2411 13.2411 k = 0.4746 0.2740-0.0000 ( 1410 PWs) bands (ev): -13.3441 -13.3441 -13.1383 -13.1383 -1.1004 -1.1004 0.1598 0.1598 0.3155 0.3155 0.4472 0.4472 1.2792 1.2792 1.3868 1.3868 1.7999 1.7999 1.9238 1.9238 2.3021 2.3021 3.9199 3.9199 4.2994 4.2994 12.4616 12.4616 13.1750 13.1750 k = 0.4831 0.2789-0.0000 ( 1410 PWs) bands (ev): -13.3374 -13.3374 -13.1419 -13.1419 -1.1083 -1.1083 0.1602 0.1602 0.3371 0.3371 0.4343 0.4343 1.2776 1.2776 1.3923 1.3923 1.7945 1.7945 1.9158 1.9158 2.2986 2.2986 3.9197 3.9197 4.3004 4.3004 12.5143 12.5143 13.1198 13.1198 k = 0.4915 0.2838-0.0000 ( 1410 PWs) bands (ev): -13.3332 -13.3332 -13.1441 -13.1441 -1.1130 -1.1130 0.1604 0.1604 0.3553 0.3553 0.4213 0.4213 1.2769 1.2769 1.3958 1.3958 1.7911 1.7911 1.9109 1.9109 2.2964 2.2964 3.9196 3.9196 4.3010 4.3010 12.5509 12.5509 13.0816 13.0816 k = 0.5000 0.2887-0.0000 ( 1410 PWs) bands (ev): -13.3318 -13.3318 -13.1449 -13.1449 -1.1146 -1.1146 0.1605 0.1605 0.3636 0.3636 0.4147 0.4147 1.2767 1.2767 1.3969 1.3969 1.7899 1.7899 1.9093 1.9093 2.2957 2.2957 3.9196 3.9196 4.3012 4.3012 12.5644 12.5644 13.0677 13.0677 k = 0.5000 0.2887-0.0000 ( 1410 PWs) bands (ev): -13.3318 -13.3318 -13.1449 -13.1449 -1.1146 -1.1146 0.1605 0.1605 0.3636 0.3636 0.4147 0.4147 1.2767 1.2767 1.3969 1.3969 1.7899 1.7899 1.9093 1.9093 2.2957 2.2957 3.9196 3.9196 4.3012 4.3012 12.5644 12.5644 13.0677 13.0677 k = 0.4951 0.2972-0.0000 ( 1414 PWs) bands (ev): -13.3317 -13.3317 -13.1449 -13.1449 -1.1138 -1.1138 0.1576 0.1576 0.3636 0.3636 0.4175 0.4175 1.2768 1.2768 1.3906 1.3906 1.7933 1.7933 1.9103 1.9103 2.2968 2.2968 3.9191 3.9191 4.2996 4.2996 12.5652 12.5652 13.0701 13.0701 k = 0.4902 0.3057-0.0000 ( 1408 PWs) bands (ev): -13.3312 -13.3312 -13.1447 -13.1447 -1.1113 -1.1113 0.1498 0.1498 0.3640 0.3640 0.4253 0.4253 1.2770 1.2770 1.3725 1.3725 1.8031 1.8031 1.9137 1.9137 2.3004 2.3004 3.9178 3.9178 4.2949 4.2949 12.5678 12.5678 13.0772 13.0772 k = 0.4853 0.3141-0.0000 ( 1408 PWs) bands (ev): -13.3304 -13.3304 -13.1445 -13.1445 -1.1071 -1.1071 0.1376 0.1376 0.3650 0.3650 0.4370 0.4370 1.2770 1.2770 1.3449 1.3449 1.8170 1.8170 1.9192 1.9192 2.3064 2.3064 3.9155 3.9155 4.2870 4.2870 12.5720 12.5720 13.0890 13.0890 k = 0.4804 0.3226-0.0000 ( 1404 PWs) bands (ev): -13.3292 -13.3292 -13.1442 -13.1442 -1.1013 -1.1013 0.1222 0.1222 0.3668 0.3668 0.4515 0.4515 1.2745 1.2745 1.3123 1.3123 1.8330 1.8330 1.9269 1.9269 2.3147 2.3147 3.9123 3.9123 4.2762 4.2762 12.5779 12.5779 13.1054 13.1054 k = 0.4755 0.3311-0.0000 ( 1408 PWs) bands (ev): -13.3278 -13.3278 -13.1438 -13.1438 -1.0939 -1.0939 0.1042 0.1042 0.3693 0.3693 0.4676 0.4676 1.2543 1.2543 1.2919 1.2919 1.8494 1.8494 1.9364 1.9364 2.3253 2.3253 3.9082 3.9082 4.2623 4.2623 12.5853 12.5853 13.1264 13.1264 k = 0.4706 0.3396-0.0000 ( 1412 PWs) bands (ev): -13.3260 -13.3260 -13.1434 -13.1434 -1.0849 -1.0849 0.0847 0.0847 0.3726 0.3726 0.4846 0.4846 1.2115 1.2115 1.2899 1.2899 1.8651 1.8651 1.9478 1.9478 2.3380 2.3380 3.9032 3.9032 4.2457 4.2457 12.5942 12.5942 13.1518 13.1518 k = 0.4657 0.3481-0.0000 ( 1404 PWs) bands (ev): -13.3239 -13.3239 -13.1428 -13.1428 -1.0743 -1.0743 0.0643 0.0643 0.3768 0.3768 0.5020 0.5020 1.1618 1.1618 1.2920 1.2920 1.8796 1.8796 1.9609 1.9609 2.3528 2.3528 3.8974 3.8974 4.2265 4.2265 12.6047 12.6047 13.1814 13.1814 k = 0.4608 0.3566-0.0000 ( 1404 PWs) bands (ev): -13.3215 -13.3215 -13.1423 -13.1423 -1.0621 -1.0621 0.0432 0.0432 0.3816 0.3816 0.5193 0.5193 1.1085 1.1085 1.2954 1.2954 1.8924 1.8924 1.9751 1.9751 2.3693 2.3693 3.8907 3.8907 4.2048 4.2048 12.6164 12.6164 13.2152 13.2152 k = 0.4559 0.3651-0.0000 ( 1408 PWs) bands (ev): -13.3188 -13.3188 -13.1417 -13.1417 -1.0483 -1.0483 0.0218 0.0218 0.3871 0.3871 0.5361 0.5361 1.0528 1.0528 1.2997 1.2997 1.9034 1.9034 1.9904 1.9904 2.3871 2.3871 3.8833 3.8833 4.1808 4.1808 12.6294 12.6294 13.2530 13.2530 k = 0.4510 0.3736-0.0000 ( 1408 PWs) bands (ev): -13.3158 -13.3158 -13.1410 -13.1410 -1.0330 -1.0330 0.0005 0.0005 0.3931 0.3931 0.5522 0.5522 0.9952 0.9952 1.3050 1.3050 1.9128 1.9128 2.0068 2.0068 2.4060 2.4060 3.8751 3.8751 4.1547 4.1547 12.6435 12.6435 13.2945 13.2945 k = 0.4461 0.3821-0.0000 ( 1408 PWs) bands (ev): -13.3125 -13.3125 -13.1404 -13.1404 -1.0162 -1.0162 -0.0206 -0.0206 0.3998 0.3998 0.5675 0.5675 0.9362 0.9362 1.3111 1.3111 1.9205 1.9205 2.0242 2.0242 2.4256 2.4256 3.8661 3.8661 4.1269 4.1269 12.6587 12.6587 13.3395 13.3395 k = 0.4412 0.3906-0.0000 ( 1408 PWs) bands (ev): -13.3089 -13.3089 -13.1398 -13.1398 -0.9980 -0.9980 -0.0414 -0.0414 0.4071 0.4071 0.5818 0.5818 0.8761 0.8761 1.3179 1.3179 1.9264 1.9264 2.0426 2.0426 2.4454 2.4454 3.8565 3.8565 4.0975 4.0975 12.6747 12.6747 13.3879 13.3879 k = 0.4363 0.3991-0.0000 ( 1408 PWs) bands (ev): -13.3051 -13.3051 -13.1393 -13.1393 -0.9783 -0.9783 -0.0617 -0.0617 0.4148 0.4148 0.5949 0.5949 0.8154 0.8154 1.3255 1.3255 1.9308 1.9308 2.0621 2.0621 2.4652 2.4652 3.8463 3.8463 4.0668 4.0668 12.6916 12.6916 13.4395 13.4395 k = 0.4314 0.4075-0.0000 ( 1408 PWs) bands (ev): -13.3010 -13.3010 -13.1388 -13.1388 -0.9573 -0.9573 -0.0814 -0.0814 0.4230 0.4230 0.6067 0.6067 0.7542 0.7542 1.3338 1.3338 1.9337 1.9337 2.0825 2.0825 2.4846 2.4846 3.8354 3.8354 4.0351 4.0351 12.7090 12.7090 13.4939 13.4939 k = 0.4265 0.4160-0.0000 ( 1404 PWs) bands (ev): -13.2966 -13.2966 -13.1383 -13.1383 -0.9349 -0.9349 -0.1004 -0.1004 0.4316 0.4316 0.6169 0.6169 0.6933 0.6933 1.3427 1.3427 1.9353 1.9353 2.1039 2.1039 2.5032 2.5032 3.8241 3.8241 4.0028 4.0028 12.7270 12.7270 13.5511 13.5511 k = 0.4216 0.4245-0.0000 ( 1408 PWs) bands (ev): -13.2920 -13.2920 -13.1380 -13.1380 -0.9113 -0.9113 -0.1187 -0.1187 0.4404 0.4404 0.6195 0.6195 0.6389 0.6389 1.3521 1.3521 1.9357 1.9357 2.1260 2.1260 2.5209 2.5209 3.8123 3.8123 3.9700 3.9700 12.7454 12.7454 13.6107 13.6107 k = 0.4167 0.4330-0.0000 ( 1412 PWs) bands (ev): -13.2872 -13.2872 -13.1378 -13.1378 -0.8864 -0.8864 -0.1361 -0.1361 0.4487 0.4487 0.5686 0.5686 0.6376 0.6376 1.3619 1.3619 1.9351 1.9351 2.1487 2.1487 2.5375 2.5375 3.8002 3.8002 3.9372 3.9372 12.7641 12.7641 13.6725 13.6725 k = 0.4118 0.4415-0.0000 ( 1412 PWs) bands (ev): -13.2821 -13.2821 -13.1378 -13.1378 -0.8604 -0.8604 -0.1525 -0.1525 0.4544 0.4544 0.5120 0.5120 0.6443 0.6443 1.3719 1.3719 1.9337 1.9337 2.1720 2.1720 2.5527 2.5527 3.7877 3.7877 3.9047 3.9047 12.7829 12.7829 13.7363 13.7363 k = 0.4069 0.4500-0.0000 ( 1410 PWs) bands (ev): -13.2768 -13.2768 -13.1380 -13.1380 -0.8332 -0.8332 -0.1679 -0.1679 0.4336 0.4336 0.4822 0.4822 0.6503 0.6503 1.3820 1.3820 1.9315 1.9315 2.1957 2.1957 2.5663 2.5663 3.7750 3.7750 3.8727 3.8727 12.8017 12.8017 13.8020 13.8020 k = 0.4020 0.4585-0.0000 ( 1412 PWs) bands (ev): -13.2714 -13.2714 -13.1383 -13.1383 -0.8051 -0.8051 -0.1824 -0.1824 0.3793 0.3793 0.4865 0.4865 0.6555 0.6555 1.3921 1.3921 1.9288 1.9288 2.2196 2.2196 2.5783 2.5783 3.7621 3.7621 3.8417 3.8417 12.8204 12.8204 13.8692 13.8692 k = 0.3971 0.4670-0.0000 ( 1412 PWs) bands (ev): -13.2657 -13.2657 -13.1390 -13.1390 -0.7760 -0.7760 -0.1958 -0.1958 0.3212 0.3212 0.4957 0.4957 0.6597 0.6597 1.4020 1.4020 1.9255 1.9255 2.2437 2.2437 2.5885 2.5885 3.7491 3.7491 3.8120 3.8120 12.8389 12.8389 13.9379 13.9379 k = 0.3922 0.4755-0.0000 ( 1412 PWs) bands (ev): -13.2599 -13.2599 -13.1398 -13.1398 -0.7460 -0.7460 -0.2081 -0.2081 0.2631 0.2631 0.5058 0.5058 0.6632 0.6632 1.4115 1.4115 1.9219 1.9219 2.2677 2.2677 2.5969 2.5969 3.7360 3.7360 3.7840 3.7840 12.8570 12.8570 14.0078 14.0078 k = 0.3873 0.4840-0.0000 ( 1416 PWs) bands (ev): -13.2540 -13.2540 -13.1410 -13.1410 -0.7153 -0.7153 -0.2192 -0.2192 0.2059 0.2059 0.5162 0.5162 0.6658 0.6658 1.4205 1.4205 1.9180 1.9180 2.2915 2.2915 2.6032 2.6032 3.7228 3.7228 3.7582 3.7582 12.8746 12.8746 14.0788 14.0788 k = 0.3824 0.4924-0.0000 ( 1414 PWs) bands (ev): -13.2479 -13.2479 -13.1426 -13.1426 -0.6840 -0.6840 -0.2292 -0.2292 0.1499 0.1499 0.5267 0.5267 0.6677 0.6677 1.4289 1.4289 1.9139 1.9139 2.3151 2.3151 2.6075 2.6075 3.7091 3.7091 3.7351 3.7351 12.8917 12.8917 14.1507 14.1507 k = 0.3775 0.5009-0.0000 ( 1414 PWs) bands (ev): -13.2416 -13.2416 -13.1444 -13.1444 -0.6521 -0.6521 -0.2380 -0.2380 0.0953 0.0953 0.5370 0.5370 0.6690 0.6690 1.4366 1.4366 1.9097 1.9097 2.3381 2.3381 2.6098 2.6098 3.6945 3.6945 3.7157 3.7157 12.9080 12.9080 14.2233 14.2233 k = 0.3725 0.5094-0.0000 ( 1410 PWs) bands (ev): -13.2353 -13.2353 -13.1467 -13.1467 -0.6198 -0.6198 -0.2456 -0.2456 0.0424 0.0424 0.5472 0.5472 0.6697 0.6697 1.4434 1.4434 1.9056 1.9056 2.3606 2.3606 2.6100 2.6100 3.6793 3.6793 3.7000 3.7000 12.9235 12.9235 14.2966 14.2966 k = 0.3676 0.5179-0.0000 ( 1410 PWs) bands (ev): -13.2288 -13.2288 -13.1494 -13.1494 -0.5873 -0.5873 -0.2520 -0.2520 -0.0087 -0.0087 0.5569 0.5569 0.6699 0.6699 1.4493 1.4493 1.9015 1.9015 2.3824 2.3824 2.6082 2.6082 3.6644 3.6644 3.6872 3.6872 12.9380 12.9380 14.3704 14.3704 k = 0.3627 0.5264-0.0000 ( 1416 PWs) bands (ev): -13.2223 -13.2223 -13.1525 -13.1525 -0.5548 -0.5548 -0.2572 -0.2572 -0.0576 -0.0576 0.5659 0.5659 0.6697 0.6697 1.4543 1.4543 1.8976 1.8976 2.4033 2.4033 2.6043 2.6043 3.6513 3.6513 3.6762 3.6762 12.9513 12.9513 14.4446 14.4446 k = 0.3578 0.5349-0.0000 ( 1412 PWs) bands (ev): -13.2157 -13.2157 -13.1561 -13.1561 -0.5227 -0.5227 -0.2611 -0.2611 -0.1040 -0.1040 0.5742 0.5742 0.6692 0.6692 1.4584 1.4584 1.8941 1.8941 2.4234 2.4234 2.5986 2.5986 3.6405 3.6405 3.6665 3.6665 12.9633 12.9633 14.5191 14.5191 k = 0.3529 0.5434-0.0000 ( 1416 PWs) bands (ev): -13.2091 -13.2091 -13.1602 -13.1602 -0.4913 -0.4913 -0.2640 -0.2640 -0.1474 -0.1474 0.5815 0.5815 0.6685 0.6685 1.4615 1.4615 1.8909 1.8909 2.4421 2.4421 2.5913 2.5913 3.6323 3.6323 3.6580 3.6580 12.9737 12.9737 14.5939 14.5939 k = 0.3480 0.5519-0.0000 ( 1416 PWs) bands (ev): -13.2024 -13.2024 -13.1649 -13.1649 -0.4616 -0.4616 -0.2659 -0.2659 -0.1867 -0.1867 0.5876 0.5876 0.6678 0.6678 1.4637 1.4637 1.8882 1.8882 2.4593 2.4593 2.5827 2.5827 3.6269 3.6269 3.6506 3.6506 12.9824 12.9824 14.6688 14.6688 k = 0.3431 0.5604-0.0000 ( 1420 PWs) bands (ev): -13.1958 -13.1958 -13.1701 -13.1701 -0.4352 -0.4352 -0.2673 -0.2673 -0.2198 -0.2198 0.5921 0.5921 0.6672 0.6672 1.4651 1.4651 1.8862 1.8862 2.4742 2.4742 2.5738 2.5738 3.6241 3.6241 3.6444 3.6444 12.9889 12.9889 14.7435 14.7435 k = 0.3382 0.5689-0.0000 ( 1428 PWs) bands (ev): -13.1891 -13.1891 -13.1758 -13.1758 -0.4154 -0.4154 -0.2698 -0.2698 -0.2421 -0.2421 0.5949 0.5949 0.6668 0.6668 1.4659 1.4659 1.8849 1.8849 2.4852 2.4852 2.5662 2.5662 3.6233 3.6233 3.6398 3.6398 12.9931 12.9931 14.8174 14.8174 k = 0.3333 0.5774-0.0000 ( 1428 PWs) bands (ev): -13.1837 -13.1837 -13.1809 -13.1809 -0.4077 -0.4077 -0.2726 -0.2726 -0.2486 -0.2486 0.5959 0.5959 0.6667 0.6667 1.4661 1.4661 1.8844 1.8844 2.4895 2.4895 2.5630 2.5630 3.6235 3.6235 3.6378 3.6378 12.9946 12.9946 14.8741 14.8742 k = 0.3333 0.5774-0.0000 ( 1428 PWs) bands (ev): -13.1837 -13.1837 -13.1809 -13.1809 -0.4077 -0.4077 -0.2726 -0.2726 -0.2486 -0.2486 0.5959 0.5959 0.6667 0.6667 1.4661 1.4661 1.8844 1.8844 2.4895 2.4895 2.5630 2.5630 3.6235 3.6235 3.6378 3.6378 12.9946 12.9946 14.8741 14.8741 k = 0.3284 0.5689-0.0000 ( 1424 PWs) bands (ev): -13.1894 -13.1894 -13.1755 -13.1755 -0.4151 -0.4151 -0.2682 -0.2682 -0.2440 -0.2440 0.5949 0.5949 0.6668 0.6668 1.4659 1.4659 1.8849 1.8849 2.4850 2.4850 2.5664 2.5664 3.6229 3.6229 3.6402 3.6402 12.9930 12.9930 14.8193 14.8193 k = 0.3235 0.5604-0.0000 ( 1420 PWs) bands (ev): -13.1970 -13.1970 -13.1689 -13.1689 -0.4329 -0.4329 -0.2592 -0.2592 -0.2304 -0.2304 0.5922 0.5922 0.6668 0.6668 1.4656 1.4656 1.8865 1.8865 2.4731 2.4731 2.5754 2.5754 3.6212 3.6212 3.6467 3.6467 12.9878 12.9878 14.7518 14.7518 k = 0.3186 0.5519-0.0000 ( 1416 PWs) bands (ev): -13.2053 -13.2053 -13.1624 -13.1624 -0.4549 -0.4549 -0.2510 -0.2510 -0.2090 -0.2090 0.5879 0.5879 0.6665 0.6665 1.4652 1.4652 1.8892 1.8892 2.4567 2.4567 2.5872 2.5872 3.6196 3.6196 3.6562 3.6562 12.9785 12.9785 14.6884 14.6884 k = 0.3137 0.5434-0.0000 ( 1416 PWs) bands (ev): -13.2142 -13.2142 -13.1559 -13.1559 -0.4776 -0.4776 -0.2432 -0.2432 -0.1836 -0.1836 0.5822 0.5822 0.6655 0.6655 1.4651 1.4651 1.8931 1.8931 2.4374 2.4374 2.6002 2.6002 3.6183 3.6183 3.6678 3.6678 12.9646 12.9646 14.6304 14.6304 k = 0.3088 0.5349-0.0000 ( 1416 PWs) bands (ev): -13.2238 -13.2238 -13.1494 -13.1494 -0.4993 -0.4993 -0.2350 -0.2350 -0.1568 -0.1568 0.5753 0.5753 0.6637 0.6637 1.4653 1.4653 1.8982 1.8982 2.4164 2.4164 2.6137 2.6137 3.6178 3.6178 3.6812 3.6812 12.9456 12.9456 14.5786 14.5786 k = 0.3039 0.5264-0.0000 ( 1420 PWs) bands (ev): -13.2342 -13.2342 -13.1431 -13.1431 -0.5193 -0.5193 -0.2262 -0.2262 -0.1299 -0.1299 0.5675 0.5675 0.6607 0.6607 1.4662 1.4662 1.9046 1.9046 2.3943 2.3943 2.6273 2.6273 3.6178 3.6178 3.6961 3.6961 12.9211 12.9211 14.5336 14.5336 k = 0.2990 0.5179-0.0000 ( 1422 PWs) bands (ev): -13.2452 -13.2452 -13.1369 -13.1369 -0.5371 -0.5371 -0.2167 -0.2167 -0.1035 -0.1035 0.5590 0.5590 0.6565 0.6565 1.4678 1.4678 1.9123 1.9123 2.3714 2.3714 2.6409 2.6409 3.6185 3.6185 3.7121 3.7121 12.8908 12.8908 14.4958 14.4958 k = 0.2941 0.5094-0.0000 ( 1420 PWs) bands (ev): -13.2569 -13.2569 -13.1308 -13.1308 -0.5523 -0.5523 -0.2065 -0.2065 -0.0780 -0.0780 0.5500 0.5500 0.6508 0.6508 1.4703 1.4703 1.9214 1.9214 2.3480 2.3480 2.6543 2.6543 3.6199 3.6199 3.7292 3.7292 12.8545 12.8545 14.4656 14.4656 k = 0.2892 0.5009-0.0000 ( 1420 PWs) bands (ev): -13.2693 -13.2693 -13.1248 -13.1248 -0.5650 -0.5650 -0.1958 -0.1958 -0.0537 -0.0537 0.5407 0.5407 0.6437 0.6437 1.4739 1.4739 1.9318 1.9318 2.3246 2.3246 2.6676 2.6676 3.6219 3.6219 3.7470 3.7470 12.8120 12.8120 14.4431 14.4431 k = 0.2843 0.4924-0.0000 ( 1424 PWs) bands (ev): -13.2824 -13.2824 -13.1190 -13.1190 -0.5750 -0.5750 -0.1848 -0.1848 -0.0308 -0.0308 0.5313 0.5313 0.6350 0.6350 1.4786 1.4786 1.9434 1.9434 2.3012 2.3012 2.6806 2.6806 3.6245 3.6245 3.7652 3.7652 12.7634 12.7634 14.4283 14.4283 k = 0.2794 0.4840-0.0000 ( 1428 PWs) bands (ev): -13.2963 -13.2963 -13.1133 -13.1133 -0.5821 -0.5821 -0.1735 -0.1735 -0.0095 -0.0095 0.5220 0.5220 0.6249 0.6249 1.4847 1.4847 1.9561 1.9561 2.2783 2.2783 2.6934 2.6934 3.6278 3.6278 3.7838 3.7838 12.7090 12.7090 14.4212 14.4212 k = 0.2745 0.4755-0.0000 ( 1428 PWs) bands (ev): -13.3108 -13.3108 -13.1078 -13.1078 -0.5865 -0.5865 -0.1622 -0.1622 0.0100 0.0100 0.5133 0.5133 0.6133 0.6133 1.4921 1.4921 1.9698 1.9698 2.2561 2.2561 2.7059 2.7059 3.6317 3.6317 3.8025 3.8025 12.6491 12.6491 14.4215 14.4215 k = 0.2696 0.4670-0.0000 ( 1428 PWs) bands (ev): -13.3259 -13.3259 -13.1025 -13.1025 -0.5880 -0.5880 -0.1510 -0.1510 0.0274 0.0274 0.5053 0.5053 0.6003 0.6003 1.5009 1.5009 1.9843 1.9843 2.2350 2.2350 2.7181 2.7181 3.6361 3.6361 3.8211 3.8211 12.5841 12.5841 14.4289 14.4289 k = 0.2647 0.4585-0.0000 ( 1426 PWs) bands (ev): -13.3418 -13.3418 -13.0973 -13.0973 -0.5867 -0.5867 -0.1402 -0.1402 0.0428 0.0428 0.4983 0.4983 0.5861 0.5861 1.5113 1.5113 1.9990 1.9990 2.2154 2.2154 2.7300 2.7300 3.6412 3.6412 3.8396 3.8396 12.5145 12.5145 14.4429 14.4429 k = 0.2598 0.4500-0.0000 ( 1428 PWs) bands (ev): -13.3583 -13.3583 -13.0924 -13.0924 -0.5825 -0.5825 -0.1300 -0.1300 0.0558 0.0558 0.4926 0.4926 0.5710 0.5710 1.5231 1.5231 2.0135 2.0135 2.1979 2.1979 2.7415 2.7415 3.6469 3.6469 3.8578 3.8578 12.4406 12.4406 14.4632 14.4632 k = 0.2549 0.4415-0.0000 ( 1428 PWs) bands (ev): -13.3754 -13.3754 -13.0876 -13.0876 -0.5755 -0.5755 -0.1207 -0.1207 0.0664 0.0664 0.4883 0.4883 0.5552 0.5552 1.5364 1.5364 2.0268 2.0268 2.1834 2.1834 2.7525 2.7525 3.6531 3.6531 3.8755 3.8755 12.3631 12.3631 14.4895 14.4895 k = 0.2500 0.4330-0.0000 ( 1428 PWs) bands (ev): -13.3931 -13.3931 -13.0830 -13.0830 -0.5657 -0.5657 -0.1126 -0.1126 0.0743 0.0743 0.4853 0.4853 0.5395 0.5395 1.5513 1.5513 2.0375 2.0375 2.1734 2.1734 2.7632 2.7632 3.6600 3.6600 3.8927 3.8927 12.2822 12.2822 14.5214 14.5214 k = 0.2451 0.4245-0.0000 ( 1428 PWs) bands (ev): -13.4114 -13.4114 -13.0787 -13.0787 -0.5532 -0.5532 -0.1057 -0.1057 0.0794 0.0794 0.4827 0.4827 0.5253 0.5253 1.5677 1.5677 2.0439 2.0439 2.1695 2.1695 2.7734 2.7734 3.6675 3.6675 3.9092 3.9092 12.1984 12.1984 14.5586 14.5586 k = 0.2402 0.4160-0.0000 ( 1428 PWs) bands (ev): -13.4303 -13.4303 -13.0745 -13.0745 -0.5380 -0.5380 -0.1004 -0.1004 0.0815 0.0815 0.4781 0.4781 0.5156 0.5156 1.5855 1.5855 2.0450 2.0450 2.1727 2.1727 2.7831 2.7831 3.6756 3.6756 3.9250 3.9250 12.1120 12.1120 14.6008 14.6008 k = 0.2353 0.4075-0.0000 ( 1428 PWs) bands (ev): -13.4497 -13.4497 -13.0706 -13.0706 -0.5203 -0.5203 -0.0967 -0.0967 0.0804 0.0804 0.4683 0.4683 0.5141 0.5141 1.6049 1.6049 2.0412 2.0412 2.1823 2.1823 2.7922 2.7922 3.6844 3.6844 3.9401 3.9401 12.0234 12.0234 14.6479 14.6479 k = 0.2304 0.3991-0.0000 ( 1432 PWs) bands (ev): -13.4696 -13.4696 -13.0669 -13.0669 -0.5002 -0.5002 -0.0946 -0.0946 0.0760 0.0760 0.4546 0.4546 0.5197 0.5197 1.6258 1.6258 2.0342 2.0342 2.1966 2.1966 2.8009 2.8009 3.6937 3.6937 3.9542 3.9542 11.9327 11.9327 14.6995 14.6995 k = 0.2255 0.3906-0.0000 ( 1434 PWs) bands (ev): -13.4900 -13.4900 -13.0634 -13.0634 -0.4778 -0.4778 -0.0942 -0.0942 0.0682 0.0682 0.4399 0.4399 0.5301 0.5301 1.6480 1.6480 2.0257 2.0257 2.2139 2.2139 2.8089 2.8089 3.7038 3.7038 3.9675 3.9675 11.8402 11.8402 14.7555 14.7555 k = 0.2206 0.3821-0.0000 ( 1430 PWs) bands (ev): -13.5107 -13.5107 -13.0601 -13.0601 -0.4533 -0.4533 -0.0953 -0.0953 0.0571 0.0571 0.4257 0.4257 0.5442 0.5442 1.6717 1.6717 2.0168 2.0168 2.2329 2.2329 2.8165 2.8165 3.7145 3.7145 3.9799 3.9799 11.7461 11.7461 14.8159 14.8159 k = 0.2157 0.3736-0.0000 ( 1434 PWs) bands (ev): -13.5319 -13.5319 -13.0571 -13.0571 -0.4269 -0.4269 -0.0978 -0.0978 0.0427 0.0427 0.4125 0.4125 0.5612 0.5612 1.6967 1.6967 2.0080 2.0080 2.2527 2.2527 2.8234 2.8234 3.7258 3.7258 3.9912 3.9912 11.6506 11.6506 14.8805 14.8805 k = 0.2108 0.3651-0.0000 ( 1434 PWs) bands (ev): -13.5535 -13.5535 -13.0542 -13.0542 -0.3991 -0.3991 -0.1016 -0.1016 0.0254 0.0254 0.4007 0.4007 0.5810 0.5810 1.7230 1.7230 1.9999 1.9999 2.2731 2.2731 2.8297 2.8297 3.7377 3.7377 4.0017 4.0017 11.5539 11.5539 14.9492 14.9492 k = 0.2059 0.3566-0.0000 ( 1435 PWs) bands (ev): -13.5753 -13.5753 -13.0516 -13.0516 -0.3703 -0.3703 -0.1064 -0.1064 0.0056 0.0056 0.3906 0.3906 0.6031 0.6031 1.7505 1.7505 1.9925 1.9925 2.2935 2.2935 2.8355 2.8355 3.7503 3.7503 4.0111 4.0111 11.4561 11.4561 15.0219 15.0219 k = 0.2010 0.3481-0.0000 ( 1439 PWs) bands (ev): -13.5975 -13.5975 -13.0493 -13.0493 -0.3413 -0.3413 -0.1122 -0.1122 -0.0159 -0.0159 0.3824 0.3824 0.6273 0.6273 1.7790 1.7790 1.9862 1.9862 2.3138 2.3138 2.8405 2.8405 3.7635 3.7635 4.0196 4.0196 11.3573 11.3573 15.0984 15.0984 k = 0.1961 0.3396-0.0000 ( 1439 PWs) bands (ev): -13.6198 -13.6198 -13.0471 -13.0471 -0.3130 -0.3130 -0.1186 -0.1186 -0.0380 -0.0380 0.3762 0.3762 0.6533 0.6533 1.8084 1.8084 1.9810 1.9810 2.3337 2.3337 2.8450 2.8450 3.7772 3.7772 4.0272 4.0272 11.2576 11.2576 15.1789 15.1789 k = 0.1912 0.3311-0.0000 ( 1441 PWs) bands (ev): -13.6424 -13.6424 -13.0451 -13.0451 -0.2876 -0.2876 -0.1255 -0.1255 -0.0587 -0.0587 0.3724 0.3724 0.6810 0.6810 1.8385 1.8385 1.9772 1.9772 2.3531 2.3531 2.8489 2.8489 3.7915 3.7915 4.0338 4.0338 11.1572 11.1572 15.2629 15.2629 k = 0.1863 0.3226-0.0000 ( 1441 PWs) bands (ev): -13.6651 -13.6651 -13.0434 -13.0434 -0.2681 -0.2681 -0.1328 -0.1328 -0.0753 -0.0753 0.3712 0.3712 0.7100 0.7100 1.8685 1.8685 1.9754 1.9754 2.3719 2.3719 2.8521 2.8521 3.8063 3.8063 4.0395 4.0395 11.0562 11.0562 15.3503 15.3503 k = 0.1814 0.3141-0.0000 ( 1441 PWs) bands (ev): -13.6879 -13.6879 -13.0418 -13.0418 -0.2594 -0.2594 -0.1395 -0.1395 -0.0839 -0.0839 0.3731 0.3731 0.7401 0.7401 1.8971 1.8971 1.9768 1.9768 2.3900 2.3900 2.8548 2.8548 3.8216 3.8216 4.0445 4.0445 10.9547 10.9547 15.4395 15.4395 k = 0.1765 0.3057-0.0000 ( 1433 PWs) bands (ev): -13.7107 -13.7107 -13.0405 -13.0405 -0.2649 -0.2649 -0.1453 -0.1453 -0.0818 -0.0818 0.3788 0.3788 0.7714 0.7714 1.9209 1.9209 1.9847 1.9847 2.4075 2.4075 2.8569 2.8569 3.8372 3.8372 4.0486 4.0486 10.8527 10.8527 15.4922 15.4922 k = 0.1716 0.2972-0.0000 ( 1435 PWs) bands (ev): -13.7336 -13.7336 -13.0393 -13.0393 -0.2830 -0.2830 -0.1509 -0.1509 -0.0707 -0.0707 0.3891 0.3891 0.8033 0.8033 1.9355 1.9355 2.0033 2.0033 2.4240 2.4240 2.8585 2.8585 3.8533 3.8533 4.0519 4.0519 10.7504 10.7504 15.3996 15.3996 k = 0.1667 0.2887-0.0000 ( 1435 PWs) bands (ev): -13.7564 -13.7564 -13.0383 -13.0383 -0.3090 -0.3090 -0.1566 -0.1566 -0.0554 -0.0554 0.4045 0.4045 0.8360 0.8360 1.9421 1.9421 2.0313 2.0313 2.4397 2.4397 2.8595 2.8595 3.8696 3.8696 4.0546 4.0546 10.6479 10.6479 15.2911 15.2911 k = 0.1618 0.2802-0.0000 ( 1431 PWs) bands (ev): -13.7791 -13.7791 -13.0375 -13.0375 -0.3396 -0.3396 -0.1621 -0.1621 -0.0398 -0.0398 0.4258 0.4258 0.8692 0.8692 1.9453 1.9453 2.0640 2.0640 2.4546 2.4546 2.8601 2.8601 3.8861 3.8861 4.0567 4.0567 10.5452 10.5452 15.1808 15.1808 k = 0.1569 0.2717-0.0000 ( 1433 PWs) bands (ev): -13.8017 -13.8017 -13.0369 -13.0369 -0.3728 -0.3728 -0.1674 -0.1674 -0.0263 -0.0263 0.4533 0.4533 0.9027 0.9027 1.9473 1.9473 2.0988 2.0988 2.4686 2.4686 2.8602 2.8602 3.9028 3.9028 4.0582 4.0582 10.4425 10.4425 15.0699 15.0699 k = 0.1520 0.2632-0.0000 ( 1429 PWs) bands (ev): -13.8242 -13.8242 -13.0364 -13.0364 -0.4074 -0.4074 -0.1723 -0.1723 -0.0160 -0.0160 0.4869 0.4869 0.9366 0.9366 1.9491 1.9491 2.1347 2.1347 2.4817 2.4817 2.8600 2.8600 3.9196 3.9196 4.0594 4.0594 10.3400 10.3400 14.9591 14.9591 k = 0.1471 0.2547-0.0000 ( 1429 PWs) bands (ev): -13.8464 -13.8464 -13.0361 -13.0361 -0.4429 -0.4429 -0.1768 -0.1768 -0.0092 -0.0092 0.5263 0.5263 0.9705 0.9705 1.9510 1.9510 2.1710 2.1710 2.4940 2.4940 2.8595 2.8595 3.9364 3.9364 4.0602 4.0602 10.2376 10.2376 14.8485 14.8485 k = 0.1422 0.2462-0.0000 ( 1425 PWs) bands (ev): -13.8684 -13.8684 -13.0359 -13.0359 -0.4787 -0.4787 -0.1809 -0.1809 -0.0056 -0.0056 0.5708 0.5708 1.0045 1.0045 1.9533 1.9533 2.2073 2.2073 2.5054 2.5054 2.8587 2.8587 3.9530 3.9530 4.0608 4.0608 10.1356 10.1356 14.7385 14.7385 k = 0.1373 0.2377-0.0000 ( 1431 PWs) bands (ev): -13.8900 -13.8900 -13.0359 -13.0359 -0.5146 -0.5146 -0.1844 -0.1844 -0.0050 -0.0050 0.6195 0.6195 1.0385 1.0385 1.9559 1.9559 2.2434 2.2434 2.5159 2.5159 2.8579 2.8579 3.9694 3.9694 4.0614 4.0614 10.0340 10.0340 14.6294 14.6294 k = 0.1324 0.2292-0.0000 ( 1431 PWs) bands (ev): -13.9113 -13.9113 -13.0360 -13.0360 -0.5503 -0.5503 -0.1875 -0.1875 -0.0068 -0.0068 0.6718 0.6718 1.0723 1.0723 1.9591 1.9591 2.2788 2.2788 2.5257 2.5257 2.8570 2.8570 3.9856 3.9856 4.0620 4.0620 9.9330 9.9330 14.5214 14.5214 k = 0.1275 0.2208-0.0000 ( 1435 PWs) bands (ev): -13.9323 -13.9323 -13.0362 -13.0362 -0.5856 -0.5856 -0.1900 -0.1900 -0.0104 -0.0104 0.7268 0.7268 1.1059 1.1059 1.9628 1.9628 2.3132 2.3132 2.5347 2.5347 2.8564 2.8564 4.0013 4.0013 4.0628 4.0628 9.8328 9.8328 14.4148 14.4148 k = 0.1225 0.2123-0.0000 ( 1435 PWs) bands (ev): -13.9528 -13.9528 -13.0365 -13.0365 -0.6204 -0.6204 -0.1921 -0.1921 -0.0154 -0.0154 0.7841 0.7841 1.1393 1.1393 1.9672 1.9672 2.3463 2.3463 2.5430 2.5430 2.8560 2.8560 4.0164 4.0164 4.0641 4.0641 9.7334 9.7334 14.3096 14.3096 k = 0.1176 0.2038-0.0000 ( 1435 PWs) bands (ev): -13.9728 -13.9728 -13.0368 -13.0368 -0.6546 -0.6546 -0.1937 -0.1937 -0.0216 -0.0216 0.8428 0.8428 1.1723 1.1723 1.9722 1.9722 2.3777 2.3777 2.5506 2.5506 2.8563 2.8563 4.0304 4.0304 4.0663 4.0663 9.6352 9.6352 14.2063 14.2063 k = 0.1127 0.1953-0.0000 ( 1435 PWs) bands (ev): -13.9923 -13.9923 -13.0373 -13.0373 -0.6880 -0.6880 -0.1949 -0.1949 -0.0286 -0.0286 0.9025 0.9025 1.2050 1.2050 1.9779 1.9779 2.4069 2.4069 2.5576 2.5576 2.8573 2.8573 4.0428 4.0428 4.0701 4.0701 9.5381 9.5381 14.1049 14.1049 k = 0.1078 0.1868-0.0000 ( 1439 PWs) bands (ev): -14.0113 -14.0113 -13.0379 -13.0379 -0.7206 -0.7206 -0.1956 -0.1956 -0.0362 -0.0362 0.9627 0.9627 1.2371 1.2371 1.9845 1.9845 2.4336 2.4336 2.5639 2.5639 2.8593 2.8593 4.0525 4.0525 4.0765 4.0765 9.4425 9.4425 14.0056 14.0056 k = 0.1029 0.1783-0.0000 ( 1439 PWs) bands (ev): -14.0297 -14.0297 -13.0385 -13.0385 -0.7522 -0.7522 -0.1959 -0.1959 -0.0442 -0.0442 1.0228 1.0228 1.2687 1.2687 1.9920 1.9920 2.4573 2.4573 2.5698 2.5698 2.8625 2.8625 4.0594 4.0594 4.0858 4.0858 9.3485 9.3485 13.9088 13.9088 k = 0.0980 0.1698-0.0000 ( 1435 PWs) bands (ev): -14.0475 -14.0475 -13.0391 -13.0391 -0.7828 -0.7828 -0.1958 -0.1958 -0.0523 -0.0523 1.0825 1.0825 1.2998 1.2998 2.0007 2.0007 2.4778 2.4778 2.5751 2.5751 2.8672 2.8672 4.0647 4.0647 4.0967 4.0967 9.2562 9.2562 13.8145 13.8145 k = 0.0931 0.1613-0.0000 ( 1439 PWs) bands (ev): -14.0646 -14.0646 -13.0398 -13.0398 -0.8123 -0.8123 -0.1955 -0.1955 -0.0606 -0.0606 1.1410 1.1410 1.3301 1.3301 2.0106 2.0106 2.4947 2.4947 2.5798 2.5798 2.8733 2.8733 4.0696 4.0696 4.1080 4.1080 9.1661 9.1661 13.7230 13.7230 k = 0.0882 0.1528-0.0000 ( 1447 PWs) bands (ev): -14.0811 -14.0811 -13.0405 -13.0405 -0.8406 -0.8406 -0.1950 -0.1950 -0.0688 -0.0688 1.1980 1.1980 1.3597 1.3597 2.0219 2.0219 2.5081 2.5081 2.5839 2.5839 2.8810 2.8810 4.0748 4.0748 4.1189 4.1189 9.0781 9.0781 13.6345 13.6345 k = 0.0833 0.1443-0.0000 ( 1453 PWs) bands (ev): -14.0968 -14.0968 -13.0413 -13.0413 -0.8678 -0.8678 -0.1943 -0.1943 -0.0769 -0.0769 1.2529 1.2529 1.3887 1.3887 2.0348 2.0348 2.5182 2.5182 2.5870 2.5870 2.8901 2.8901 4.0806 4.0806 4.1294 4.1294 8.9927 8.9927 13.5492 13.5492 k = 0.0784 0.1358-0.0000 ( 1449 PWs) bands (ev): -14.1118 -14.1118 -13.0421 -13.0421 -0.8936 -0.8936 -0.1933 -0.1933 -0.0847 -0.0847 1.3053 1.3053 1.4168 1.4168 2.0497 2.0497 2.5253 2.5253 2.5895 2.5895 2.9004 2.9004 4.0870 4.0870 4.1393 4.1393 8.9100 8.9100 13.4673 13.4673 k = 0.0735 0.1274-0.0000 ( 1449 PWs) bands (ev): -14.1260 -14.1260 -13.0428 -13.0428 -0.9181 -0.9181 -0.1922 -0.1922 -0.0922 -0.0922 1.3546 1.3546 1.4440 1.4440 2.0665 2.0665 2.5297 2.5297 2.5909 2.5909 2.9115 2.9115 4.0941 4.0941 4.1484 4.1484 8.8304 8.8304 13.3890 13.3890 k = 0.0686 0.1189-0.0000 ( 1449 PWs) bands (ev): -14.1395 -14.1395 -13.0436 -13.0436 -0.9412 -0.9412 -0.1911 -0.1911 -0.0992 -0.0992 1.4003 1.4003 1.4703 1.4703 2.0855 2.0855 2.5320 2.5320 2.5913 2.5913 2.9231 2.9231 4.1017 4.1017 4.1568 4.1568 8.7540 8.7540 13.3145 13.3145 k = 0.0637 0.1104-0.0000 ( 1449 PWs) bands (ev): -14.1521 -14.1521 -13.0443 -13.0443 -0.9629 -0.9629 -0.1901 -0.1901 -0.1058 -0.1058 1.4421 1.4421 1.4957 1.4957 2.1067 2.1067 2.5325 2.5325 2.5906 2.5906 2.9347 2.9347 4.1099 4.1099 4.1645 4.1645 8.6812 8.6812 13.2441 13.2441 k = 0.0588 0.1019-0.0000 ( 1445 PWs) bands (ev): -14.1639 -14.1639 -13.0450 -13.0450 -0.9831 -0.9831 -0.1891 -0.1891 -0.1119 -0.1119 1.4796 1.4796 1.5200 1.5200 2.1301 2.1301 2.5315 2.5315 2.5888 2.5888 2.9461 2.9461 4.1185 4.1185 4.1714 4.1714 8.6122 8.6122 13.1778 13.1778 k = 0.0539 0.0934-0.0000 ( 1445 PWs) bands (ev): -14.1748 -14.1748 -13.0457 -13.0457 -1.0018 -1.0018 -0.1883 -0.1883 -0.1173 -0.1173 1.5125 1.5125 1.5434 1.5434 2.1555 2.1555 2.5294 2.5294 2.5861 2.5861 2.9569 2.9569 4.1273 4.1273 4.1776 4.1776 8.5474 8.5474 13.1161 13.1161 k = 0.0490 0.0849-0.0000 ( 1445 PWs) bands (ev): -14.1848 -14.1848 -13.0464 -13.0464 -1.0190 -1.0190 -0.1877 -0.1877 -0.1221 -0.1221 1.5410 1.5410 1.5657 1.5657 2.1827 2.1827 2.5264 2.5264 2.5824 2.5824 2.9671 2.9671 4.1361 4.1361 4.1832 4.1832 8.4869 8.4869 13.0589 13.0589 k = 0.0441 0.0764-0.0000 ( 1449 PWs) bands (ev): -14.1939 -14.1939 -13.0470 -13.0470 -1.0347 -1.0347 -0.1873 -0.1873 -0.1263 -0.1263 1.5651 1.5651 1.5865 1.5865 2.2111 2.2111 2.5227 2.5227 2.5777 2.5777 2.9764 2.9764 4.1446 4.1446 4.1881 4.1881 8.4312 8.4312 13.0065 13.0065 k = 0.0392 0.0679-0.0000 ( 1445 PWs) bands (ev): -14.2021 -14.2021 -13.0476 -13.0476 -1.0488 -1.0488 -0.1871 -0.1871 -0.1297 -0.1297 1.5857 1.5857 1.6057 1.6057 2.2403 2.2403 2.5186 2.5186 2.5721 2.5721 2.9847 2.9847 4.1528 4.1528 4.1925 4.1925 8.3805 8.3805 12.9591 12.9591 k = 0.0343 0.0594-0.0000 ( 1445 PWs) bands (ev): -14.2094 -14.2094 -13.0481 -13.0481 -1.0612 -1.0612 -0.1873 -0.1873 -0.1324 -0.1324 1.6032 1.6032 1.6226 1.6226 2.2698 2.2698 2.5143 2.5143 2.5655 2.5655 2.9920 2.9920 4.1604 4.1604 4.1965 4.1965 8.3350 8.3350 12.9169 12.9169 k = 0.0294 0.0509-0.0000 ( 1449 PWs) bands (ev): -14.2157 -14.2157 -13.0486 -13.0486 -1.0721 -1.0721 -0.1876 -0.1876 -0.1346 -0.1346 1.6180 1.6180 1.6371 1.6371 2.2988 2.2988 2.5099 2.5099 2.5579 2.5579 2.9983 2.9983 4.1670 4.1670 4.2001 4.2001 8.2949 8.2949 12.8800 12.8800 k = 0.0245 0.0425-0.0000 ( 1439 PWs) bands (ev): -14.2211 -14.2211 -13.0490 -13.0490 -1.0813 -1.0813 -0.1880 -0.1880 -0.1362 -0.1362 1.6304 1.6304 1.6492 1.6492 2.3271 2.3271 2.5056 2.5056 2.5494 2.5494 3.0036 3.0036 4.1727 4.1727 4.2034 4.2034 8.2607 8.2607 12.8485 12.8485 k = 0.0196 0.0340-0.0000 ( 1431 PWs) bands (ev): -14.2255 -14.2255 -13.0493 -13.0493 -1.0888 -1.0888 -0.1885 -0.1885 -0.1372 -0.1372 1.6405 1.6405 1.6591 1.6591 2.3537 2.3537 2.5013 2.5013 2.5403 2.5403 3.0079 3.0079 4.1773 4.1773 4.2064 4.2064 8.2323 8.2323 12.8226 12.8226 k = 0.0147 0.0255-0.0000 ( 1431 PWs) bands (ev): -14.2290 -14.2290 -13.0495 -13.0495 -1.0947 -1.0947 -0.1890 -0.1890 -0.1380 -0.1380 1.6481 1.6481 1.6667 1.6667 2.3779 2.3779 2.4967 2.4967 2.5311 2.5311 3.0112 3.0112 4.1806 4.1806 4.2089 4.2089 8.2101 8.2101 12.8023 12.8023 k = 0.0098 0.0170-0.0000 ( 1427 PWs) bands (ev): -14.2314 -14.2314 -13.0497 -13.0497 -1.0989 -1.0989 -0.1894 -0.1894 -0.1385 -0.1385 1.6536 1.6536 1.6722 1.6722 2.3989 2.3989 2.4917 2.4917 2.5230 2.5230 3.0135 3.0135 4.1829 4.1829 4.2109 4.2109 8.1941 8.1941 12.7878 12.7878 k = 0.0049 0.0085-0.0000 ( 1425 PWs) bands (ev): -14.2329 -14.2329 -13.0498 -13.0498 -1.1014 -1.1014 -0.1896 -0.1896 -0.1387 -0.1387 1.6568 1.6568 1.6754 1.6754 2.4143 2.4143 2.4864 2.4864 2.5175 2.5175 3.0149 3.0149 4.1843 4.1843 4.2121 4.2121 8.1845 8.1845 12.7790 12.7790 k = 0.0000 0.0000 0.0000 ( 1423 PWs) bands (ev): -14.2334 -14.2334 -13.0499 -13.0499 -1.1023 -1.1023 -0.1897 -0.1897 -0.1388 -0.1388 1.6578 1.6578 1.6765 1.6765 2.4204 2.4204 2.4838 2.4838 2.5156 2.5156 3.0154 3.0154 4.1848 4.1848 4.2126 4.2126 8.1813 8.1813 12.7761 12.7761 k = 0.0000 0.0000 0.0000 ( 1423 PWs) bands (ev): -14.2334 -14.2334 -13.0499 -13.0499 -1.1023 -1.1023 -0.1897 -0.1897 -0.1388 -0.1388 1.6578 1.6578 1.6765 1.6765 2.4204 2.4204 2.4838 2.4838 2.5156 2.5156 3.0154 3.0154 4.1848 4.1848 4.2126 4.2126 8.1813 8.1813 12.7761 12.7761 k = 0.0000 0.0000 0.0096 ( 1423 PWs) bands (ev): -14.2330 -14.2330 -13.0504 -13.0504 -1.1011 -1.1011 -0.1896 -0.1896 -0.1387 -0.1387 1.6578 1.6578 1.6765 1.6765 2.4199 2.4199 2.4835 2.4835 2.5154 2.5154 3.0135 3.0135 4.1850 4.1850 4.2129 4.2129 8.1839 8.1839 12.7746 12.7746 k = 0.0000 0.0000 0.0193 ( 1417 PWs) bands (ev): -14.2317 -14.2317 -13.0521 -13.0521 -1.0975 -1.0975 -0.1894 -0.1894 -0.1385 -0.1385 1.6579 1.6579 1.6765 1.6765 2.4184 2.4184 2.4827 2.4827 2.5145 2.5145 3.0078 3.0078 4.1858 4.1858 4.2136 4.2136 8.1918 8.1918 12.7699 12.7699 k = 0.0000 0.0000 0.0289 ( 1417 PWs) bands (ev): -14.2296 -14.2296 -13.0548 -13.0548 -1.0915 -1.0915 -0.1890 -0.1890 -0.1381 -0.1381 1.6578 1.6578 1.6765 1.6765 2.4158 2.4158 2.4813 2.4813 2.5130 2.5130 2.9984 2.9984 4.1871 4.1871 4.2149 4.2149 8.2050 8.2050 12.7621 12.7621 k = 0.0000 0.0000 0.0385 ( 1411 PWs) bands (ev): -14.2267 -14.2267 -13.0587 -13.0587 -1.0832 -1.0832 -0.1885 -0.1885 -0.1376 -0.1376 1.6578 1.6578 1.6764 1.6764 2.4122 2.4122 2.4793 2.4793 2.5110 2.5110 2.9856 2.9856 4.1889 4.1889 4.2167 4.2167 8.2232 8.2232 12.7513 12.7513 k = 0.0000 0.0000 0.0482 ( 1411 PWs) bands (ev): -14.2230 -14.2230 -13.0636 -13.0636 -1.0726 -1.0726 -0.1878 -0.1878 -0.1369 -0.1369 1.6577 1.6577 1.6763 1.6763 2.4072 2.4072 2.4768 2.4768 2.5084 2.5084 2.9694 2.9694 4.1912 4.1912 4.2189 4.2189 8.2464 8.2464 12.7375 12.7375 k = 0.0000 0.0000 0.0578 ( 1423 PWs) bands (ev): -14.2185 -14.2185 -13.0696 -13.0696 -1.0597 -1.0597 -0.1871 -0.1871 -0.1361 -0.1361 1.6575 1.6575 1.6761 1.6761 2.4006 2.4006 2.4738 2.4738 2.5053 2.5053 2.9504 2.9504 4.1939 4.1939 4.2215 4.2215 8.2744 8.2744 12.7206 12.7206 k = 0.0000 0.0000 0.0674 ( 1435 PWs) bands (ev): -14.2131 -14.2131 -13.0766 -13.0766 -1.0446 -1.0446 -0.1863 -0.1863 -0.1352 -0.1352 1.6572 1.6572 1.6757 1.6757 2.3925 2.3925 2.4703 2.4703 2.5017 2.5017 2.9289 2.9289 4.1970 4.1970 4.2245 4.2245 8.3070 8.3070 12.7007 12.7007 k = 0.0000 0.0000 0.0771 ( 1435 PWs) bands (ev): -14.2070 -14.2070 -13.0846 -13.0846 -1.0273 -1.0273 -0.1852 -0.1852 -0.1341 -0.1341 1.6570 1.6570 1.6756 1.6756 2.3825 2.3825 2.4664 2.4664 2.4977 2.4977 2.9054 2.9054 4.2006 4.2006 4.2280 4.2280 8.3439 8.3439 12.6780 12.6780 k = 0.0000 0.0000 0.0867 ( 1441 PWs) bands (ev): -14.2002 -14.2002 -13.0936 -13.0936 -1.0079 -1.0079 -0.1840 -0.1840 -0.1329 -0.1329 1.6568 1.6568 1.6753 1.6753 2.3703 2.3703 2.4621 2.4621 2.4932 2.4932 2.8803 2.8803 4.2046 4.2046 4.2319 4.2319 8.3848 8.3848 12.6524 12.6524 k = 0.0000 0.0000 0.0964 ( 1441 PWs) bands (ev): -14.1925 -14.1925 -13.1035 -13.1035 -0.9864 -0.9864 -0.1827 -0.1827 -0.1316 -0.1316 1.6566 1.6566 1.6751 1.6751 2.3556 2.3556 2.4574 2.4574 2.4884 2.4884 2.8544 2.8544 4.2089 4.2089 4.2360 4.2360 8.4296 8.4296 12.6240 12.6240 k = 0.0000 0.0000 0.1060 ( 1441 PWs) bands (ev): -14.1842 -14.1842 -13.1142 -13.1142 -0.9629 -0.9629 -0.1813 -0.1813 -0.1302 -0.1302 1.6564 1.6564 1.6749 1.6749 2.3382 2.3382 2.4523 2.4523 2.4832 2.4832 2.8283 2.8283 4.2135 4.2135 4.2405 4.2405 8.4779 8.4779 12.5930 12.5930 k = 0.0000 0.0000 0.1156 ( 1435 PWs) bands (ev): -14.1752 -14.1752 -13.1259 -13.1259 -0.9375 -0.9375 -0.1798 -0.1798 -0.1286 -0.1286 1.6563 1.6563 1.6747 1.6747 2.3176 2.3176 2.4470 2.4470 2.4778 2.4778 2.8027 2.8027 4.2184 4.2184 4.2452 4.2452 8.5293 8.5293 12.5595 12.5595 k = 0.0000 0.0000 0.1253 ( 1435 PWs) bands (ev): -14.1655 -14.1655 -13.1383 -13.1383 -0.9103 -0.9103 -0.1782 -0.1782 -0.1270 -0.1270 1.6561 1.6561 1.6745 1.6745 2.2935 2.2935 2.4414 2.4414 2.4720 2.4720 2.7780 2.7780 4.2234 4.2234 4.2502 4.2502 8.5836 8.5836 12.5235 12.5235 k = 0.0000 0.0000 0.1349 ( 1435 PWs) bands (ev): -14.1552 -14.1552 -13.1514 -13.1514 -0.8814 -0.8814 -0.1766 -0.1766 -0.1253 -0.1253 1.6559 1.6559 1.6742 1.6742 2.2658 2.2658 2.4356 2.4356 2.4661 2.4661 2.7549 2.7549 4.2287 4.2287 4.2553 4.2553 8.6405 8.6405 12.4852 12.4852 k = 0.0000 0.0000 0.1445 ( 1435 PWs) bands (ev): -14.1443 -14.1443 -13.1652 -13.1652 -0.8509 -0.8509 -0.1750 -0.1750 -0.1236 -0.1236 1.6556 1.6556 1.6740 1.6740 2.2344 2.2344 2.4297 2.4297 2.4601 2.4601 2.7337 2.7337 4.2340 4.2340 4.2605 4.2605 8.6996 8.6996 12.4448 12.4448 k = 0.0000 0.0000 0.1542 ( 1435 PWs) bands (ev): -14.1329 -14.1329 -13.1796 -13.1796 -0.8191 -0.8191 -0.1733 -0.1733 -0.1218 -0.1218 1.6554 1.6554 1.6737 1.6737 2.1994 2.1994 2.4236 2.4236 2.4539 2.4539 2.7146 2.7146 4.2395 4.2395 4.2658 4.2658 8.7605 8.7605 12.4024 12.4024 k = 0.0000 0.0000 0.1638 ( 1435 PWs) bands (ev): -14.1209 -14.1209 -13.1945 -13.1945 -0.7860 -0.7860 -0.1715 -0.1715 -0.1200 -0.1200 1.6551 1.6551 1.6734 1.6734 2.1611 2.1611 2.4174 2.4174 2.4477 2.4477 2.6978 2.6978 4.2450 4.2450 4.2711 4.2711 8.8230 8.8230 12.3583 12.3583 k = 0.0000 0.0000 0.1734 ( 1423 PWs) bands (ev): -14.1086 -14.1086 -13.2098 -13.2098 -0.7518 -0.7518 -0.1697 -0.1697 -0.1181 -0.1181 1.6550 1.6550 1.6733 1.6733 2.1199 2.1199 2.4113 2.4113 2.4415 2.4415 2.6831 2.6831 4.2504 4.2504 4.2765 4.2765 8.8866 8.8866 12.3126 12.3126 k = 0.0000 0.0000 0.1831 ( 1423 PWs) bands (ev): -14.0958 -14.0958 -13.2255 -13.2255 -0.7166 -0.7166 -0.1680 -0.1680 -0.1163 -0.1163 1.6547 1.6547 1.6731 1.6731 2.0763 2.0763 2.4052 2.4052 2.4353 2.4353 2.6704 2.6704 4.2559 4.2559 4.2817 4.2817 8.9510 8.9510 12.2657 12.2657 k = 0.0000 0.0000 0.1927 ( 1423 PWs) bands (ev): -14.0828 -14.0828 -13.2415 -13.2415 -0.6809 -0.6809 -0.1663 -0.1663 -0.1144 -0.1144 1.6544 1.6544 1.6728 1.6728 2.0308 2.0308 2.3992 2.3992 2.4293 2.4293 2.6595 2.6595 4.2612 4.2612 4.2869 4.2869 9.0158 9.0158 12.2177 12.2177 k = 0.0000 0.0000 0.2023 ( 1423 PWs) bands (ev): -14.0695 -14.0695 -13.2577 -13.2577 -0.6446 -0.6446 -0.1646 -0.1646 -0.1127 -0.1127 1.6541 1.6541 1.6726 1.6726 1.9841 1.9841 2.3933 2.3933 2.4234 2.4234 2.6501 2.6501 4.2664 4.2664 4.2920 4.2920 9.0805 9.0805 12.1691 12.1691 k = 0.0000 0.0000 0.2120 ( 1423 PWs) bands (ev): -14.0562 -14.0562 -13.2738 -13.2738 -0.6082 -0.6082 -0.1629 -0.1629 -0.1109 -0.1109 1.6537 1.6537 1.6723 1.6723 1.9368 1.9368 2.3876 2.3876 2.4176 2.4176 2.6421 2.6421 4.2714 4.2714 4.2969 4.2969 9.1448 9.1448 12.1201 12.1201 k = 0.0000 0.0000 0.2216 ( 1423 PWs) bands (ev): -14.0427 -14.0427 -13.2899 -13.2899 -0.5719 -0.5719 -0.1613 -0.1613 -0.1092 -0.1092 1.6532 1.6532 1.6721 1.6721 1.8895 1.8895 2.3822 2.3822 2.4122 2.4122 2.6353 2.6353 4.2762 4.2762 4.3016 4.3016 9.2081 9.2081 12.0712 12.0712 k = 0.0000 0.0000 0.2312 ( 1423 PWs) bands (ev): -14.0294 -14.0294 -13.3058 -13.3058 -0.5361 -0.5361 -0.1598 -0.1598 -0.1076 -0.1076 1.6526 1.6526 1.6719 1.6719 1.8429 1.8429 2.3770 2.3770 2.4070 2.4070 2.6295 2.6295 4.2807 4.2807 4.3060 4.3060 9.2700 9.2700 12.0228 12.0228 k = 0.0000 0.0000 0.2409 ( 1423 PWs) bands (ev): -14.0163 -14.0163 -13.3213 -13.3213 -0.5011 -0.5011 -0.1584 -0.1584 -0.1060 -0.1060 1.6517 1.6517 1.6716 1.6716 1.7977 1.7977 2.3721 2.3721 2.4021 2.4021 2.6246 2.6246 4.2850 4.2850 4.3102 4.3102 9.3299 9.3299 11.9753 11.9753 k = 0.0000 0.0000 0.2505 ( 1417 PWs) bands (ev): -14.0036 -14.0036 -13.3363 -13.3363 -0.4672 -0.4672 -0.1570 -0.1570 -0.1046 -0.1046 1.6503 1.6503 1.6715 1.6715 1.7548 1.7548 2.3675 2.3675 2.3975 2.3975 2.6206 2.6206 4.2889 4.2889 4.3140 4.3140 9.3873 9.3873 11.9293 11.9293 k = 0.0000 0.0000 0.2602 ( 1405 PWs) bands (ev): -13.9913 -13.9913 -13.3506 -13.3506 -0.4349 -0.4349 -0.1558 -0.1558 -0.1032 -0.1032 1.6475 1.6475 1.6714 1.6714 1.7158 1.7158 2.3634 2.3634 2.3934 2.3934 2.6172 2.6172 4.2926 4.2926 4.3176 4.3176 9.4416 9.4416 11.8854 11.8854 k = 0.0000 0.0000 0.2698 ( 1393 PWs) bands (ev): -13.9798 -13.9798 -13.3639 -13.3639 -0.4049 -0.4049 -0.1545 -0.1545 -0.1018 -0.1018 1.6399 1.6399 1.6714 1.6714 1.6844 1.6844 2.3597 2.3597 2.3896 2.3896 2.6143 2.6143 4.2959 4.2959 4.3209 4.3209 9.4919 9.4919 11.8442 11.8442 k = 0.0000 0.0000 0.2794 ( 1393 PWs) bands (ev): -13.9693 -13.9693 -13.3761 -13.3761 -0.3775 -0.3775 -0.1536 -0.1536 -0.1006 -0.1006 1.6212 1.6212 1.6677 1.6677 1.6712 1.6712 2.3564 2.3564 2.3863 2.3863 2.6118 2.6118 4.2988 4.2988 4.3237 4.3237 9.5376 9.5376 11.8064 11.8064 k = 0.0000 0.0000 0.2891 ( 1393 PWs) bands (ev): -13.9598 -13.9598 -13.3870 -13.3870 -0.3532 -0.3532 -0.1527 -0.1527 -0.0996 -0.0996 1.5956 1.5956 1.6619 1.6619 1.6711 1.6711 2.3535 2.3535 2.3835 2.3835 2.6098 2.6098 4.3013 4.3013 4.3261 4.3261 9.5780 9.5780 11.7728 11.7728 k = 0.0000 0.0000 0.2987 ( 1393 PWs) bands (ev): -13.9517 -13.9517 -13.3962 -13.3962 -0.3325 -0.3325 -0.1520 -0.1520 -0.0988 -0.0988 1.5712 1.5712 1.6597 1.6597 1.6710 1.6710 2.3512 2.3512 2.3812 2.3812 2.6083 2.6083 4.3033 4.3033 4.3281 4.3281 9.6124 9.6124 11.7440 11.7440 k = 0.0000 0.0000 0.3083 ( 1387 PWs) bands (ev): -13.9451 -13.9451 -13.4037 -13.4037 -0.3159 -0.3159 -0.1515 -0.1515 -0.0981 -0.0981 1.5510 1.5510 1.6587 1.6587 1.6710 1.6710 2.3493 2.3493 2.3793 2.3793 2.6071 2.6071 4.3049 4.3049 4.3297 4.3297 9.6400 9.6400 11.7208 11.7208 k = 0.0000 0.0000 0.3180 ( 1387 PWs) bands (ev): -13.9403 -13.9403 -13.4092 -13.4092 -0.3037 -0.3037 -0.1511 -0.1511 -0.0975 -0.0975 1.5360 1.5360 1.6581 1.6581 1.6710 1.6710 2.3480 2.3480 2.3780 2.3780 2.6063 2.6063 4.3061 4.3061 4.3308 4.3308 9.6602 9.6602 11.7037 11.7037 k = 0.0000 0.0000 0.3276 ( 1388 PWs) bands (ev): -13.9373 -13.9373 -13.4126 -13.4126 -0.2962 -0.2962 -0.1508 -0.1508 -0.0972 -0.0972 1.5268 1.5268 1.6578 1.6578 1.6709 1.6709 2.3472 2.3472 2.3772 2.3772 2.6057 2.6057 4.3068 4.3068 4.3315 4.3315 9.6726 9.6726 11.6932 11.6932 k = 0.0000 0.0000 0.3372 ( 1388 PWs) bands (ev): -13.9363 -13.9363 -13.4137 -13.4137 -0.2937 -0.2937 -0.1507 -0.1507 -0.0971 -0.0971 1.5237 1.5237 1.6577 1.6577 1.6709 1.6709 2.3469 2.3469 2.3769 2.3769 2.6056 2.6056 4.3070 4.3070 4.3317 4.3317 9.6767 9.6767 11.6896 11.6896 k = 0.0000 0.0000 0.3372 ( 1388 PWs) bands (ev): -13.9363 -13.9363 -13.4137 -13.4137 -0.2937 -0.2937 -0.1507 -0.1507 -0.0971 -0.0971 1.5237 1.5237 1.6577 1.6577 1.6709 1.6709 2.3469 2.3469 2.3769 2.3769 2.6056 2.6056 4.3070 4.3070 4.3317 4.3317 9.6767 9.6767 11.6896 11.6896 k = 0.0085 0.0049 0.3372 ( 1388 PWs) bands (ev): -13.9359 -13.9359 -13.4136 -13.4136 -0.2934 -0.2934 -0.1512 -0.1512 -0.0976 -0.0976 1.5253 1.5253 1.6566 1.6566 1.6696 1.6696 2.3441 2.3441 2.3745 2.3745 2.6114 2.6114 4.3058 4.3058 4.3306 4.3306 9.6784 9.6784 11.6923 11.6923 k = 0.0169 0.0098 0.3372 ( 1392 PWs) bands (ev): -13.9346 -13.9346 -13.4131 -13.4131 -0.2923 -0.2923 -0.1528 -0.1528 -0.0989 -0.0989 1.5299 1.5299 1.6531 1.6531 1.6657 1.6657 2.3326 2.3326 2.3718 2.3718 2.6274 2.6274 4.3020 4.3020 4.3274 4.3274 9.6837 9.6837 11.7002 11.7002 k = 0.0254 0.0147 0.3372 ( 1396 PWs) bands (ev): -13.9325 -13.9325 -13.4123 -13.4123 -0.2905 -0.2905 -0.1558 -0.1558 -0.1007 -0.1007 1.5373 1.5373 1.6475 1.6475 1.6593 1.6593 2.3115 2.3115 2.3734 2.3734 2.6500 2.6500 4.2949 4.2949 4.3230 4.3230 9.6923 9.6923 11.7133 11.7133 k = 0.0339 0.0196 0.3372 ( 1400 PWs) bands (ev): -13.9295 -13.9295 -13.4111 -13.4111 -0.2880 -0.2880 -0.1606 -0.1606 -0.1023 -0.1023 1.5466 1.5466 1.6401 1.6401 1.6506 1.6506 2.2845 2.2845 2.3784 2.3784 2.6763 2.6763 4.2839 4.2839 4.3181 4.3181 9.7044 9.7044 11.7315 11.7315 k = 0.0424 0.0245 0.3372 ( 1404 PWs) bands (ev): -13.9257 -13.9257 -13.4097 -13.4097 -0.2848 -0.2848 -0.1678 -0.1678 -0.1031 -0.1031 1.5561 1.5561 1.6323 1.6323 1.6401 1.6401 2.2551 2.2551 2.3855 2.3855 2.7042 2.7042 4.2687 4.2687 4.3130 4.3130 9.7199 9.7199 11.7548 11.7548 k = 0.0508 0.0294 0.3372 ( 1412 PWs) bands (ev): -13.9211 -13.9211 -13.4079 -13.4079 -0.2810 -0.2810 -0.1776 -0.1776 -0.1029 -0.1029 1.5613 1.5613 1.6246 1.6246 1.6313 1.6313 2.2251 2.2251 2.3942 2.3942 2.7325 2.7325 4.2497 4.2497 4.3077 4.3077 9.7386 9.7386 11.7830 11.7830 k = 0.0593 0.0342 0.3372 ( 1412 PWs) bands (ev): -13.9156 -13.9156 -13.4058 -13.4058 -0.2766 -0.2766 -0.1896 -0.1896 -0.1014 -0.1014 1.5559 1.5559 1.6117 1.6117 1.6360 1.6360 2.1956 2.1956 2.4042 2.4042 2.7605 2.7605 4.2271 4.2271 4.3021 4.3021 9.7606 9.7606 11.8159 11.8159 k = 0.0678 0.0391 0.3372 ( 1414 PWs) bands (ev): -13.9094 -13.9094 -13.4035 -13.4035 -0.2718 -0.2718 -0.2036 -0.2036 -0.0990 -0.0990 1.5391 1.5391 1.5964 1.5964 1.6517 1.6517 2.1676 2.1676 2.4150 2.4150 2.7875 2.7875 4.2013 4.2013 4.2960 4.2960 9.7857 9.7857 11.8535 11.8535 k = 0.0763 0.0440 0.3372 ( 1414 PWs) bands (ev): -13.9024 -13.9024 -13.4008 -13.4008 -0.2668 -0.2668 -0.2192 -0.2192 -0.0956 -0.0956 1.5146 1.5146 1.5801 1.5801 1.6738 1.6738 2.1414 2.1414 2.4265 2.4265 2.8132 2.8132 4.1725 4.1725 4.2894 4.2894 9.8138 9.8138 11.8954 11.8954 k = 0.0847 0.0489 0.3372 ( 1414 PWs) bands (ev): -13.8945 -13.8945 -13.3978 -13.3978 -0.2623 -0.2623 -0.2354 -0.2354 -0.0913 -0.0913 1.4846 1.4846 1.5628 1.5628 1.6996 1.6996 2.1175 2.1175 2.4384 2.4384 2.8373 2.8373 4.1411 4.1411 4.2823 4.2823 9.8449 9.8449 11.9416 11.9416 k = 0.0932 0.0538 0.3372 ( 1414 PWs) bands (ev): -13.8860 -13.8860 -13.3946 -13.3946 -0.2639 -0.2639 -0.2462 -0.2462 -0.0865 -0.0865 1.4503 1.4503 1.5448 1.5448 1.7279 1.7279 2.0959 2.0959 2.4505 2.4505 2.8596 2.8596 4.1074 4.1074 4.2747 4.2747 9.8788 9.8788 11.9918 11.9918 k = 0.1017 0.0587 0.3372 ( 1412 PWs) bands (ev): -13.8767 -13.8767 -13.3910 -13.3910 -0.2792 -0.2792 -0.2442 -0.2442 -0.0809 -0.0809 1.4123 1.4123 1.5264 1.5264 1.7582 1.7582 2.0767 2.0767 2.4626 2.4626 2.8799 2.8799 4.0718 4.0718 4.2667 4.2667 9.9154 9.9154 12.0457 12.0457 k = 0.1102 0.0636 0.3372 ( 1412 PWs) bands (ev): -13.8666 -13.8666 -13.3872 -13.3872 -0.2986 -0.2986 -0.2386 -0.2386 -0.0749 -0.0749 1.3715 1.3715 1.5076 1.5076 1.7899 1.7899 2.0597 2.0597 2.4745 2.4745 2.8980 2.8980 4.0345 4.0345 4.2583 4.2583 9.9546 9.9546 12.1031 12.1031 k = 0.1186 0.0685 0.3372 ( 1412 PWs) bands (ev): -13.8559 -13.8559 -13.3832 -13.3832 -0.3190 -0.3190 -0.2325 -0.2325 -0.0685 -0.0685 1.3283 1.3283 1.4887 1.4887 1.8227 1.8227 2.0448 2.0448 2.4861 2.4861 2.9137 2.9137 3.9961 3.9961 4.2496 4.2496 9.9961 9.9961 12.1638 12.1638 k = 0.1271 0.0734 0.3372 ( 1412 PWs) bands (ev): -13.8445 -13.8445 -13.3789 -13.3789 -0.3399 -0.3399 -0.2265 -0.2265 -0.0617 -0.0617 1.2834 1.2834 1.4697 1.4697 1.8561 1.8561 2.0319 2.0319 2.4971 2.4971 2.9268 2.9268 3.9569 3.9569 4.2405 4.2405 10.0399 10.0399 12.2274 12.2274 k = 0.1356 0.0783 0.3372 ( 1416 PWs) bands (ev): -13.8324 -13.8324 -13.3744 -13.3744 -0.3611 -0.3611 -0.2208 -0.2208 -0.0545 -0.0545 1.2373 1.2373 1.4508 1.4508 1.8896 1.8896 2.0209 2.0209 2.5075 2.5075 2.9371 2.9371 3.9174 3.9174 4.2313 4.2313 10.0859 10.0859 12.2938 12.2938 k = 0.1441 0.0832 0.3372 ( 1420 PWs) bands (ev): -13.8198 -13.8198 -13.3697 -13.3697 -0.3823 -0.3823 -0.2156 -0.2156 -0.0472 -0.0472 1.1906 1.1906 1.4321 1.4321 1.9228 1.9228 2.0119 2.0119 2.5171 2.5171 2.9444 2.9444 3.8782 3.8782 4.2219 4.2219 10.1338 10.1338 12.3625 12.3625 k = 0.1525 0.0881 0.3372 ( 1424 PWs) bands (ev): -13.8065 -13.8065 -13.3648 -13.3648 -0.4033 -0.4033 -0.2113 -0.2113 -0.0396 -0.0396 1.1440 1.1440 1.4139 1.4139 1.9538 1.9538 2.0060 2.0060 2.5258 2.5258 2.9484 2.9484 3.8398 3.8398 4.2124 4.2124 10.1835 10.1835 12.4334 12.4334 k = 0.1610 0.0930 0.3372 ( 1428 PWs) bands (ev): -13.7927 -13.7927 -13.3597 -13.3597 -0.4241 -0.4241 -0.2081 -0.2081 -0.0319 -0.0319 1.0980 1.0980 1.3961 1.3961 1.9750 1.9750 2.0107 2.0107 2.5334 2.5334 2.9490 2.9490 3.8028 3.8028 4.2029 4.2029 10.2349 10.2349 12.5061 12.5061 k = 0.1695 0.0979 0.3372 ( 1428 PWs) bands (ev): -13.7783 -13.7783 -13.3545 -13.3545 -0.4446 -0.4446 -0.2062 -0.2062 -0.0240 -0.0240 1.0533 1.0533 1.3791 1.3791 1.9776 1.9776 2.0342 2.0342 2.5398 2.5398 2.9458 2.9458 3.7678 3.7678 4.1934 4.1934 10.2879 10.2879 12.5803 12.5803 k = 0.1780 0.1027 0.3372 ( 1426 PWs) bands (ev): -13.7635 -13.7635 -13.3490 -13.3490 -0.4646 -0.4646 -0.2060 -0.2060 -0.0161 -0.0161 1.0103 1.0103 1.3628 1.3628 1.9739 1.9739 2.0637 2.0637 2.5451 2.5451 2.9387 2.9387 3.7355 3.7355 4.1841 4.1841 10.3421 10.3421 12.6557 12.6557 k = 0.1864 0.1076 0.3372 ( 1426 PWs) bands (ev): -13.7482 -13.7482 -13.3435 -13.3435 -0.4841 -0.4841 -0.2078 -0.2078 -0.0083 -0.0083 0.9695 0.9695 1.3474 1.3474 1.9692 1.9692 2.0933 2.0933 2.5490 2.5490 2.9277 2.9277 3.7062 3.7062 4.1750 4.1750 10.3976 10.3976 12.7320 12.7320 k = 0.1949 0.1125 0.3372 ( 1430 PWs) bands (ev): -13.7325 -13.7325 -13.3378 -13.3378 -0.5032 -0.5032 -0.2118 -0.2118 -0.0005 -0.0005 0.9314 0.9314 1.3330 1.3330 1.9646 1.9646 2.1217 2.1217 2.5515 2.5515 2.9127 2.9127 3.6805 3.6805 4.1661 4.1661 10.4542 10.4542 12.8088 12.8088 k = 0.2034 0.1174 0.3372 ( 1426 PWs) bands (ev): -13.7163 -13.7163 -13.3320 -13.3320 -0.5217 -0.5217 -0.2183 -0.2183 0.0070 0.0070 0.8967 0.8967 1.3196 1.3196 1.9603 1.9603 2.1482 2.1482 2.5525 2.5525 2.8941 2.8941 3.6587 3.6587 4.1576 4.1576 10.5117 10.5117 12.8857 12.8857 k = 0.2119 0.1223 0.3372 ( 1430 PWs) bands (ev): -13.6999 -13.6999 -13.3262 -13.3262 -0.5397 -0.5397 -0.2275 -0.2275 0.0143 0.0143 0.8654 0.8654 1.3074 1.3074 1.9563 1.9563 2.1721 2.1721 2.5519 2.5519 2.8723 2.8723 3.6409 3.6409 4.1494 4.1494 10.5700 10.5700 12.9625 12.9625 k = 0.2203 0.1272 0.3372 ( 1430 PWs) bands (ev): -13.6831 -13.6831 -13.3203 -13.3203 -0.5573 -0.5573 -0.2394 -0.2394 0.0214 0.0214 0.8381 0.8381 1.2965 1.2965 1.9526 1.9526 2.1929 2.1929 2.5496 2.5496 2.8478 2.8478 3.6271 3.6271 4.1416 4.1416 10.6290 10.6290 13.0386 13.0386 k = 0.2288 0.1321 0.3372 ( 1430 PWs) bands (ev): -13.6661 -13.6661 -13.3143 -13.3143 -0.5745 -0.5745 -0.2540 -0.2540 0.0281 0.0281 0.8149 0.8149 1.2870 1.2870 1.9491 1.9491 2.2101 2.2101 2.5457 2.5457 2.8216 2.8216 3.6173 3.6173 4.1343 4.1343 10.6885 10.6885 13.1136 13.1136 k = 0.2373 0.1370 0.3372 ( 1430 PWs) bands (ev): -13.6489 -13.6489 -13.3083 -13.3083 -0.5914 -0.5914 -0.2711 -0.2711 0.0344 0.0344 0.7957 0.7957 1.2789 1.2789 1.9459 1.9459 2.2230 2.2230 2.5400 2.5400 2.7946 2.7946 3.6111 3.6111 4.1275 4.1275 10.7484 10.7484 13.1870 13.1870 k = 0.2458 0.1419 0.3372 ( 1430 PWs) bands (ev): -13.6315 -13.6315 -13.3024 -13.3024 -0.6082 -0.6082 -0.2904 -0.2904 0.0403 0.0403 0.7805 0.7805 1.2723 1.2723 1.9429 1.9429 2.2310 2.2310 2.5327 2.5327 2.7679 2.7679 3.6084 3.6084 4.1213 4.1213 10.8086 10.8086 13.2584 13.2584 k = 0.2542 0.1468 0.3372 ( 1430 PWs) bands (ev): -13.6139 -13.6139 -13.2964 -13.2964 -0.6252 -0.6252 -0.3113 -0.3113 0.0457 0.0457 0.7691 0.7691 1.2674 1.2674 1.9400 1.9400 2.2334 2.2334 2.5237 2.5237 2.7424 2.7424 3.6088 3.6088 4.1156 4.1156 10.8690 10.8690 13.3270 13.3270 k = 0.2627 0.1517 0.3372 ( 1426 PWs) bands (ev): -13.5963 -13.5963 -13.2905 -13.2905 -0.6427 -0.6427 -0.3332 -0.3332 0.0505 0.0505 0.7611 0.7611 1.2641 1.2641 1.9372 1.9372 2.2300 2.2300 2.5132 2.5132 2.7191 2.7191 3.6121 3.6121 4.1104 4.1104 10.9295 10.9295 13.3924 13.3924 k = 0.2712 0.1566 0.3372 ( 1430 PWs) bands (ev): -13.5786 -13.5786 -13.2846 -13.2846 -0.6611 -0.6611 -0.3553 -0.3553 0.0548 0.0548 0.7561 0.7561 1.2624 1.2624 1.9344 1.9344 2.2205 2.2205 2.5013 2.5013 2.6984 2.6984 3.6179 3.6179 4.1058 4.1058 10.9900 10.9900 13.4537 13.4537 k = 0.2797 0.1615 0.3372 ( 1426 PWs) bands (ev): -13.5609 -13.5609 -13.2788 -13.2788 -0.6806 -0.6806 -0.3768 -0.3768 0.0586 0.0586 0.7536 0.7536 1.2625 1.2625 1.9316 1.9316 2.2054 2.2054 2.4881 2.4881 2.6805 2.6805 3.6261 3.6261 4.1018 4.1018 11.0505 11.0505 13.5102 13.5102 k = 0.2881 0.1664 0.3372 ( 1426 PWs) bands (ev): -13.5433 -13.5433 -13.2731 -13.2731 -0.7018 -0.7018 -0.3969 -0.3969 0.0617 0.0617 0.7532 0.7532 1.2642 1.2642 1.9285 1.9285 2.1856 2.1856 2.4736 2.4736 2.6651 2.6651 3.6363 3.6363 4.0983 4.0983 11.1108 11.1108 13.5610 13.5610 k = 0.2966 0.1712 0.3372 ( 1426 PWs) bands (ev): -13.5257 -13.5257 -13.2675 -13.2675 -0.7248 -0.7248 -0.4149 -0.4149 0.0643 0.0643 0.7542 0.7542 1.2678 1.2678 1.9251 1.9251 2.1621 2.1621 2.4579 2.4579 2.6517 2.6517 3.6482 3.6482 4.0954 4.0954 11.1708 11.1708 13.6053 13.6053 k = 0.3051 0.1761 0.3372 ( 1426 PWs) bands (ev): -13.5083 -13.5083 -13.2621 -13.2621 -0.7500 -0.7500 -0.4302 -0.4302 0.0663 0.0663 0.7562 0.7562 1.2730 1.2730 1.9211 1.9211 2.1364 2.1364 2.4410 2.4410 2.6397 2.6397 3.6618 3.6618 4.0930 4.0930 11.2307 11.2307 13.6421 13.6421 k = 0.3136 0.1810 0.3372 ( 1426 PWs) bands (ev): -13.4911 -13.4911 -13.2569 -13.2569 -0.7771 -0.7771 -0.4424 -0.4424 0.0677 0.0677 0.7585 0.7585 1.2800 1.2800 1.9161 1.9161 2.1102 2.1102 2.4228 2.4228 2.6285 2.6285 3.6766 3.6766 4.0910 4.0910 11.2901 11.2901 13.6706 13.6706 k = 0.3220 0.1859 0.3372 ( 1426 PWs) bands (ev): -13.4741 -13.4741 -13.2518 -13.2518 -0.8061 -0.8061 -0.4515 -0.4515 0.0685 0.0685 0.7607 0.7607 1.2887 1.2887 1.9096 1.9096 2.0850 2.0850 2.4033 2.4033 2.6176 2.6176 3.6925 3.6925 4.0895 4.0895 11.3492 11.3492 13.6901 13.6901 k = 0.3305 0.1908 0.3372 ( 1422 PWs) bands (ev): -13.4574 -13.4574 -13.2470 -13.2470 -0.8365 -0.8365 -0.4575 -0.4575 0.0690 0.0690 0.7622 0.7622 1.2991 1.2991 1.9012 1.9012 2.0625 2.0625 2.3826 2.3826 2.6065 2.6065 3.7092 3.7092 4.0884 4.0884 11.4079 11.4079 13.7002 13.7002 k = 0.3390 0.1957 0.3372 ( 1418 PWs) bands (ev): -13.4411 -13.4411 -13.2423 -13.2423 -0.8678 -0.8678 -0.4605 -0.4605 0.0689 0.0689 0.7627 0.7627 1.3110 1.3110 1.8904 1.8904 2.0438 2.0438 2.3608 2.3608 2.5949 2.5949 3.7267 3.7267 4.0877 4.0877 11.4662 11.4662 13.7006 13.7006 k = 0.3475 0.2006 0.3372 ( 1418 PWs) bands (ev): -13.4250 -13.4250 -13.2380 -13.2380 -0.8998 -0.8998 -0.4610 -0.4610 0.0683 0.0683 0.7615 0.7615 1.3246 1.3246 1.8773 1.8773 2.0296 2.0296 2.3379 2.3379 2.5825 2.5825 3.7445 3.7445 4.0873 4.0873 11.5239 11.5239 13.6914 13.6914 k = 0.3559 0.2055 0.3372 ( 1418 PWs) bands (ev): -13.4094 -13.4094 -13.2339 -13.2339 -0.9319 -0.9319 -0.4590 -0.4590 0.0674 0.0674 0.7584 0.7584 1.3395 1.3395 1.8625 1.8625 2.0200 2.0200 2.3140 2.3140 2.5692 2.5692 3.7625 3.7625 4.0872 4.0872 11.5812 11.5812 13.6733 13.6733 k = 0.3644 0.2104 0.3372 ( 1416 PWs) bands (ev): -13.3943 -13.3943 -13.2302 -13.2302 -0.9637 -0.9637 -0.4548 -0.4548 0.0662 0.0662 0.7532 0.7532 1.3559 1.3559 1.8472 1.8472 2.0144 2.0144 2.2892 2.2892 2.5548 2.5548 3.7806 3.7806 4.0874 4.0874 11.6379 11.6379 13.6469 13.6469 k = 0.3729 0.2153 0.3372 ( 1414 PWs) bands (ev): -13.3796 -13.3796 -13.2268 -13.2268 -0.9949 -0.9949 -0.4487 -0.4487 0.0647 0.0647 0.7456 0.7456 1.3736 1.3736 1.8324 1.8324 2.0121 2.0121 2.2637 2.2637 2.5394 2.5394 3.7985 3.7985 4.0878 4.0878 11.6940 11.6940 13.6135 13.6135 k = 0.3814 0.2202 0.3372 ( 1418 PWs) bands (ev): -13.3654 -13.3654 -13.2237 -13.2237 -1.0252 -1.0252 -0.4410 -0.4410 0.0629 0.0629 0.7355 0.7355 1.3926 1.3926 1.8188 1.8188 2.0123 2.0123 2.2374 2.2374 2.5229 2.5229 3.8160 3.8160 4.0884 4.0884 11.7495 11.7495 13.5740 13.5740 k = 0.3898 0.2251 0.3372 ( 1418 PWs) bands (ev): -13.3517 -13.3517 -13.2210 -13.2210 -1.0542 -1.0542 -0.4318 -0.4318 0.0610 0.0610 0.7232 0.7232 1.4127 1.4127 1.8071 1.8071 2.0148 2.0148 2.2107 2.2107 2.5053 2.5053 3.8331 3.8331 4.0891 4.0891 11.8043 11.8043 13.5298 13.5298 k = 0.3983 0.2300 0.3372 ( 1418 PWs) bands (ev): -13.3387 -13.3387 -13.2187 -13.2187 -1.0819 -1.0819 -0.4215 -0.4215 0.0590 0.0590 0.7086 0.7086 1.4338 1.4338 1.7975 1.7975 2.0190 2.0190 2.1837 2.1837 2.4867 2.4867 3.8495 3.8495 4.0899 4.0899 11.8584 11.8584 13.4819 13.4819 k = 0.4068 0.2349 0.3372 ( 1422 PWs) bands (ev): -13.3262 -13.3262 -13.2168 -13.2168 -1.1080 -1.1080 -0.4102 -0.4102 0.0570 0.0570 0.6923 0.6923 1.4558 1.4558 1.7900 1.7900 2.0246 2.0246 2.1567 2.1567 2.4671 2.4671 3.8650 3.8650 4.0908 4.0908 11.9116 11.9116 13.4314 13.4314 k = 0.4153 0.2397 0.3372 ( 1418 PWs) bands (ev): -13.3144 -13.3144 -13.2154 -13.2154 -1.1322 -1.1322 -0.3982 -0.3982 0.0550 0.0550 0.6745 0.6745 1.4787 1.4787 1.7845 1.7845 2.0311 2.0311 2.1305 2.1305 2.4468 2.4468 3.8796 3.8796 4.0917 4.0917 11.9639 11.9639 13.3793 13.3793 k = 0.4237 0.2446 0.3372 ( 1422 PWs) bands (ev): -13.3033 -13.3033 -13.2144 -13.2144 -1.1546 -1.1546 -0.3858 -0.3858 0.0530 0.0530 0.6558 0.6558 1.5022 1.5022 1.7806 1.7806 2.0369 2.0369 2.1063 2.1063 2.4257 2.4257 3.8932 3.8932 4.0926 4.0926 12.0149 12.0149 13.3266 13.3266 k = 0.4322 0.2495 0.3372 ( 1420 PWs) bands (ev): -13.2928 -13.2928 -13.2140 -13.2140 -1.1749 -1.1749 -0.3733 -0.3733 0.0511 0.0511 0.6369 0.6369 1.5261 1.5261 1.7782 1.7782 2.0373 2.0373 2.0894 2.0894 2.4040 2.4040 3.9056 3.9056 4.0935 4.0935 12.0645 12.0645 13.2742 13.2742 k = 0.4407 0.2544 0.3372 ( 1420 PWs) bands (ev): -13.2830 -13.2830 -13.2140 -13.2140 -1.1930 -1.1930 -0.3610 -0.3610 0.0493 0.0493 0.6181 0.6181 1.5502 1.5502 1.7768 1.7768 2.0247 2.0247 2.0873 2.0873 2.3819 2.3819 3.9168 3.9168 4.0944 4.0944 12.1122 12.1122 13.2229 13.2229 k = 0.4492 0.2593 0.3372 ( 1422 PWs) bands (ev): -13.2740 -13.2740 -13.2145 -13.2145 -1.2089 -1.2089 -0.3493 -0.3493 0.0477 0.0477 0.6002 0.6002 1.5742 1.5742 1.7762 1.7762 2.0032 2.0032 2.0961 2.0961 2.3594 2.3594 3.9266 3.9266 4.0952 4.0952 12.1574 12.1574 13.1738 13.1738 k = 0.4576 0.2642 0.3372 ( 1422 PWs) bands (ev): -13.2657 -13.2657 -13.2155 -13.2155 -1.2225 -1.2225 -0.3386 -0.3386 0.0462 0.0462 0.5837 0.5837 1.5976 1.5976 1.7762 1.7762 1.9795 1.9795 2.1096 2.1096 2.3369 2.3369 3.9351 3.9351 4.0959 4.0959 12.1994 12.1994 13.1280 13.1280 k = 0.4661 0.2691 0.3372 ( 1420 PWs) bands (ev): -13.2581 -13.2581 -13.2170 -13.2170 -1.2337 -1.2337 -0.3291 -0.3291 0.0451 0.0451 0.5692 0.5692 1.6198 1.6198 1.7764 1.7764 1.9563 1.9563 2.1252 2.1252 2.3146 2.3146 3.9420 3.9420 4.0965 4.0965 12.2372 12.2372 13.0869 13.0869 k = 0.4746 0.2740 0.3372 ( 1416 PWs) bands (ev): -13.2515 -13.2515 -13.2190 -13.2190 -1.2424 -1.2424 -0.3213 -0.3213 0.0441 0.0441 0.5574 0.5574 1.6399 1.6399 1.7767 1.7767 1.9352 1.9352 2.1418 2.1418 2.2931 2.2931 3.9475 3.9475 4.0970 4.0970 12.2692 12.2692 13.0519 13.0519 k = 0.4831 0.2789 0.3372 ( 1416 PWs) bands (ev): -13.2459 -13.2459 -13.2212 -13.2212 -1.2487 -1.2487 -0.3154 -0.3154 0.0434 0.0434 0.5486 0.5486 1.6565 1.6565 1.7770 1.7770 1.9179 1.9179 2.1582 2.1582 2.2733 2.2733 3.9515 3.9515 4.0974 4.0974 12.2940 12.2940 13.0249 13.0249 k = 0.4915 0.2838 0.3372 ( 1414 PWs) bands (ev): -13.2418 -13.2418 -13.2233 -13.2233 -1.2525 -1.2525 -0.3118 -0.3118 0.0430 0.0430 0.5432 0.5432 1.6677 1.6677 1.7771 1.7771 1.9063 1.9063 2.1720 2.1720 2.2575 2.2575 3.9538 3.9538 4.0976 4.0976 12.3098 12.3098 13.0078 13.0078 k = 0.5000 0.2887 0.3372 ( 1416 PWs) bands (ev): -13.2402 -13.2402 -13.2243 -13.2243 -1.2537 -1.2537 -0.3106 -0.3106 0.0429 0.0429 0.5413 0.5413 1.6717 1.6717 1.7771 1.7771 1.9021 1.9021 2.1780 2.1780 2.2509 2.2509 3.9546 3.9546 4.0977 4.0977 12.3153 12.3153 13.0019 13.0019 k = 0.5000 0.2887 0.3372 ( 1416 PWs) bands (ev): -13.2402 -13.2402 -13.2243 -13.2243 -1.2537 -1.2537 -0.3106 -0.3106 0.0429 0.0429 0.5413 0.5413 1.6717 1.6717 1.7771 1.7771 1.9021 1.9021 2.1780 2.1780 2.2509 2.2509 3.9546 3.9546 4.0977 4.0977 12.3153 12.3153 13.0019 13.0019 k = 0.4951 0.2972 0.3372 ( 1416 PWs) bands (ev): -13.2400 -13.2400 -13.2242 -13.2242 -1.2528 -1.2528 -0.3114 -0.3114 0.0442 0.0442 0.5415 0.5415 1.6603 1.6603 1.7854 1.7854 1.9008 1.9008 2.1781 2.1781 2.2517 2.2517 3.9551 3.9551 4.0975 4.0975 12.3167 12.3167 13.0045 13.0045 k = 0.4902 0.3057 0.3372 ( 1416 PWs) bands (ev): -13.2396 -13.2396 -13.2240 -13.2240 -1.2498 -1.2498 -0.3139 -0.3139 0.0482 0.0482 0.5420 0.5420 1.6328 1.6328 1.8037 1.8037 1.8971 1.8971 2.1786 2.1786 2.2540 2.2540 3.9565 3.9565 4.0971 4.0971 12.3211 12.3211 13.0120 13.0120 k = 0.4853 0.3141 0.3372 ( 1416 PWs) bands (ev): -13.2390 -13.2390 -13.2236 -13.2236 -1.2450 -1.2450 -0.3180 -0.3180 0.0547 0.0547 0.5429 0.5429 1.5971 1.5971 1.8241 1.8241 1.8909 1.8909 2.1793 2.1793 2.2578 2.2578 3.9590 3.9590 4.0964 4.0964 12.3283 12.3283 13.0247 13.0247 k = 0.4804 0.3226 0.3372 ( 1416 PWs) bands (ev): -13.2381 -13.2381 -13.2231 -13.2231 -1.2382 -1.2382 -0.3234 -0.3234 0.0636 0.0636 0.5441 0.5441 1.5564 1.5564 1.8431 1.8431 1.8827 1.8827 2.1805 2.1805 2.2629 2.2629 3.9623 3.9623 4.0955 4.0955 12.3384 12.3384 13.0423 13.0423 k = 0.4755 0.3311 0.3372 ( 1420 PWs) bands (ev): -13.2369 -13.2369 -13.2225 -13.2225 -1.2295 -1.2295 -0.3299 -0.3299 0.0745 0.0745 0.5456 0.5456 1.5121 1.5121 1.8566 1.8566 1.8756 1.8756 2.1819 2.1819 2.2691 2.2691 3.9664 3.9664 4.0945 4.0945 12.3512 12.3512 13.0647 13.0647 k = 0.4706 0.3396 0.3372 ( 1428 PWs) bands (ev): -13.2355 -13.2355 -13.2217 -13.2217 -1.2190 -1.2190 -0.3374 -0.3374 0.0874 0.0874 0.5473 0.5473 1.4650 1.4650 1.8517 1.8517 1.8820 1.8820 2.1838 2.1838 2.2762 2.2762 3.9713 3.9713 4.0932 4.0932 12.3666 12.3666 13.0920 13.0920 k = 0.4657 0.3481 0.3372 ( 1428 PWs) bands (ev): -13.2338 -13.2338 -13.2207 -13.2207 -1.2065 -1.2065 -0.3456 -0.3456 0.1021 0.1021 0.5495 0.5495 1.4154 1.4154 1.8368 1.8368 1.8938 1.8938 2.1859 2.1859 2.2841 2.2841 3.9770 3.9770 4.0919 4.0919 12.3847 12.3847 13.1240 13.1240 k = 0.4608 0.3566 0.3372 ( 1428 PWs) bands (ev): -13.2319 -13.2319 -13.2197 -13.2197 -1.1921 -1.1921 -0.3544 -0.3544 0.1182 0.1182 0.5518 0.5518 1.3637 1.3637 1.8186 1.8186 1.9043 1.9043 2.1884 2.1884 2.2925 2.2925 3.9833 3.9833 4.0907 4.0907 12.4051 12.4051 13.1606 13.1606 k = 0.4559 0.3651 0.3372 ( 1432 PWs) bands (ev): -13.2298 -13.2298 -13.2185 -13.2185 -1.1760 -1.1760 -0.3635 -0.3635 0.1357 0.1357 0.5544 0.5544 1.3102 1.3102 1.7978 1.7978 1.9129 1.9129 2.1911 2.1911 2.3011 2.3011 3.9901 3.9901 4.0894 4.0894 12.4279 12.4279 13.2015 13.2015 k = 0.4510 0.3736 0.3372 ( 1432 PWs) bands (ev): -13.2276 -13.2276 -13.2172 -13.2172 -1.1580 -1.1580 -0.3727 -0.3727 0.1545 0.1545 0.5571 0.5571 1.2552 1.2552 1.7747 1.7747 1.9198 1.9198 2.1939 2.1939 2.3099 2.3099 3.9973 3.9973 4.0884 4.0884 12.4528 12.4528 13.2468 13.2468 k = 0.4461 0.3821 0.3372 ( 1428 PWs) bands (ev): -13.2251 -13.2251 -13.2158 -13.2158 -1.1383 -1.1383 -0.3821 -0.3821 0.1743 0.1743 0.5600 0.5600 1.1989 1.1989 1.7495 1.7495 1.9251 1.9251 2.1970 2.1970 2.3186 2.3186 4.0049 4.0049 4.0875 4.0875 12.4796 12.4796 13.2961 13.2961 k = 0.4412 0.3906 0.3372 ( 1426 PWs) bands (ev): -13.2225 -13.2225 -13.2143 -13.2143 -1.1168 -1.1168 -0.3914 -0.3914 0.1951 0.1951 0.5628 0.5628 1.1417 1.1417 1.7221 1.7221 1.9289 1.9289 2.2001 2.2001 2.3271 2.3271 4.0127 4.0127 4.0870 4.0870 12.5083 12.5083 13.3494 13.3494 k = 0.4363 0.3991 0.3372 ( 1426 PWs) bands (ev): -13.2198 -13.2198 -13.2126 -13.2126 -1.0937 -1.0937 -0.4005 -0.4005 0.2168 0.2168 0.5655 0.5655 1.0839 1.0839 1.6927 1.6927 1.9314 1.9314 2.2033 2.2033 2.3352 2.3352 4.0206 4.0206 4.0867 4.0867 12.5385 12.5385 13.4063 13.4063 k = 0.4314 0.4075 0.3372 ( 1426 PWs) bands (ev): -13.2169 -13.2169 -13.2109 -13.2109 -1.0689 -1.0689 -0.4095 -0.4095 0.2393 0.2393 0.5678 0.5678 1.0259 1.0259 1.6614 1.6614 1.9328 1.9328 2.2067 2.2067 2.3428 2.3428 4.0286 4.0286 4.0867 4.0867 12.5701 12.5701 13.4668 13.4668 k = 0.4265 0.4160 0.3372 ( 1426 PWs) bands (ev): -13.2140 -13.2140 -13.2091 -13.2091 -1.0426 -1.0426 -0.4181 -0.4181 0.2625 0.2625 0.5694 0.5694 0.9682 0.9682 1.6283 1.6283 1.9333 1.9333 2.2101 2.2101 2.3499 2.3499 4.0365 4.0365 4.0872 4.0872 12.6030 12.6030 13.5306 13.5306 k = 0.4216 0.4245 0.3372 ( 1426 PWs) bands (ev): -13.2110 -13.2110 -13.2072 -13.2072 -1.0148 -1.0148 -0.4265 -0.4265 0.2864 0.2864 0.5698 0.5698 0.9116 0.9116 1.5935 1.5935 1.9330 1.9330 2.2136 2.2136 2.3564 2.3564 4.0443 4.0443 4.0881 4.0881 12.6367 12.6367 13.5976 13.5976 k = 0.4167 0.4330 0.3372 ( 1414 PWs) bands (ev): -13.2080 -13.2080 -13.2052 -13.2052 -0.9856 -0.9856 -0.4344 -0.4344 0.3109 0.3109 0.5681 0.5681 0.8573 0.8573 1.5571 1.5571 1.9321 1.9321 2.2173 2.2173 2.3623 2.3623 4.0520 4.0520 4.0894 4.0894 12.6713 12.6713 13.6674 13.6674 k = 0.4118 0.4415 0.3372 ( 1406 PWs) bands (ev): -13.2052 -13.2052 -13.2029 -13.2029 -0.9550 -0.9550 -0.4419 -0.4419 0.3360 0.3360 0.5629 0.5629 0.8068 0.8068 1.5191 1.5191 1.9305 1.9305 2.2211 2.2211 2.3674 2.3674 4.0595 4.0595 4.0911 4.0911 12.7063 12.7063 13.7399 13.7399 k = 0.4069 0.4500 0.3372 ( 1410 PWs) bands (ev): -13.2026 -13.2026 -13.2005 -13.2005 -0.9233 -0.9233 -0.4490 -0.4490 0.3614 0.3614 0.5514 0.5514 0.7629 0.7629 1.4798 1.4798 1.9284 1.9284 2.2250 2.2250 2.3717 2.3717 4.0665 4.0665 4.0932 4.0932 12.7416 12.7416 13.8148 13.8148 k = 0.4020 0.4585 0.3372 ( 1410 PWs) bands (ev): -13.2003 -13.2003 -13.1977 -13.1977 -0.8905 -0.8905 -0.4556 -0.4556 0.3870 0.3870 0.5313 0.5313 0.7289 0.7289 1.4393 1.4393 1.9259 1.9259 2.2290 2.2290 2.3753 2.3753 4.0732 4.0732 4.0956 4.0956 12.7769 12.7769 13.8919 13.8919 k = 0.3971 0.4670 0.3372 ( 1410 PWs) bands (ev): -13.1981 -13.1981 -13.1948 -13.1948 -0.8567 -0.8567 -0.4617 -0.4617 0.4119 0.4119 0.5016 0.5016 0.7064 0.7064 1.3977 1.3977 1.9232 1.9232 2.2332 2.2332 2.3782 2.3782 4.0795 4.0795 4.0983 4.0983 12.8120 12.8120 13.9710 13.9710 k = 0.3922 0.4755 0.3372 ( 1410 PWs) bands (ev): -13.1960 -13.1960 -13.1920 -13.1920 -0.8221 -0.8221 -0.4673 -0.4673 0.4291 0.4291 0.4711 0.4711 0.6941 0.6941 1.3553 1.3553 1.9201 1.9201 2.2376 2.2376 2.3803 2.3803 4.0854 4.0854 4.1012 4.1012 12.8467 12.8467 14.0518 14.0518 k = 0.3873 0.4840 0.3372 ( 1410 PWs) bands (ev): -13.1940 -13.1940 -13.1893 -13.1893 -0.7870 -0.7870 -0.4723 -0.4723 0.4042 0.4042 0.4775 0.4775 0.6887 0.6887 1.3122 1.3122 1.9169 1.9169 2.2421 2.2421 2.3817 2.3817 4.0908 4.0908 4.1044 4.1044 12.8806 12.8806 14.1341 14.1341 k = 0.3824 0.4924 0.3372 ( 1410 PWs) bands (ev): -13.1920 -13.1920 -13.1867 -13.1867 -0.7515 -0.7515 -0.4769 -0.4769 0.3587 0.3587 0.5024 0.5024 0.6876 0.6876 1.2686 1.2686 1.9136 1.9136 2.2468 2.2468 2.3824 2.3824 4.0959 4.0959 4.1075 4.1075 12.9134 12.9134 14.2177 14.2177 k = 0.3775 0.5009 0.3372 ( 1408 PWs) bands (ev): -13.1901 -13.1901 -13.1842 -13.1842 -0.7160 -0.7160 -0.4809 -0.4809 0.3104 0.3104 0.5297 0.5297 0.6891 0.6891 1.2247 1.2247 1.9102 1.9102 2.2516 2.2516 2.3825 2.3825 4.1006 4.1006 4.1107 4.1107 12.9450 12.9450 14.3022 14.3022 k = 0.3725 0.5094 0.3372 ( 1408 PWs) bands (ev): -13.1882 -13.1882 -13.1820 -13.1820 -0.6808 -0.6808 -0.4845 -0.4845 0.2624 0.2624 0.5577 0.5577 0.6923 0.6923 1.1807 1.1807 1.9068 1.9068 2.2565 2.2565 2.3819 2.3819 4.1049 4.1049 4.1138 4.1138 12.9750 12.9750 14.3874 14.3874 k = 0.3676 0.5179 0.3372 ( 1408 PWs) bands (ev): -13.1864 -13.1864 -13.1801 -13.1801 -0.6465 -0.6465 -0.4875 -0.4875 0.2161 0.2161 0.5859 0.5859 0.6966 0.6966 1.1371 1.1371 1.9036 1.9036 2.2615 2.2615 2.3806 2.3806 4.1088 4.1088 4.1166 4.1166 13.0030 13.0030 14.4730 14.4730 k = 0.3627 0.5264 0.3372 ( 1404 PWs) bands (ev): -13.1847 -13.1847 -13.1784 -13.1784 -0.6135 -0.6135 -0.4901 -0.4901 0.1725 0.1725 0.6139 0.6139 0.7019 0.7019 1.0941 1.0941 1.9006 1.9006 2.2665 2.2665 2.3789 2.3789 4.1123 4.1123 4.1192 4.1192 13.0287 13.0287 14.5585 14.5585 k = 0.3578 0.5349 0.3372 ( 1408 PWs) bands (ev): -13.1830 -13.1830 -13.1770 -13.1770 -0.5828 -0.5828 -0.4922 -0.4922 0.1327 0.1327 0.6410 0.6410 0.7081 0.7081 1.0522 1.0522 1.8978 1.8978 2.2713 2.2713 2.3768 2.3768 4.1153 4.1153 4.1214 4.1214 13.0517 13.0517 14.6437 14.6437 k = 0.3529 0.5434 0.3372 ( 1412 PWs) bands (ev): -13.1815 -13.1815 -13.1759 -13.1759 -0.5554 -0.5554 -0.4938 -0.4938 0.0978 0.0978 0.6662 0.6662 0.7157 0.7157 1.0121 1.0121 1.8953 1.8953 2.2759 2.2759 2.3744 2.3744 4.1179 4.1179 4.1233 4.1233 13.0716 13.0716 14.7278 14.7278 k = 0.3480 0.5519 0.3372 ( 1420 PWs) bands (ev): -13.1802 -13.1802 -13.1753 -13.1753 -0.5323 -0.5323 -0.4950 -0.4950 0.0689 0.0689 0.6871 0.6871 0.7259 0.7259 0.9750 0.9750 1.8932 1.8932 2.2799 2.2799 2.3719 2.3719 4.1201 4.1201 4.1248 4.1248 13.0879 13.0879 14.8102 14.8102 k = 0.3431 0.5604 0.3372 ( 1418 PWs) bands (ev): -13.1790 -13.1790 -13.1749 -13.1749 -0.5153 -0.5153 -0.4954 -0.4954 0.0473 0.0473 0.7016 0.7016 0.7389 0.7389 0.9431 0.9431 1.8916 1.8916 2.2834 2.2834 2.3698 2.3698 4.1217 4.1217 4.1258 4.1258 13.1002 13.1002 14.8897 14.8897 k = 0.3382 0.5689 0.3372 ( 1410 PWs) bands (ev): -13.1781 -13.1781 -13.1749 -13.1749 -0.5059 -0.5059 -0.4942 -0.4942 0.0340 0.0340 0.7101 0.7101 0.7505 0.7505 0.9202 0.9202 1.8908 1.8908 2.2858 2.2858 2.3682 2.3682 4.1227 4.1227 4.1264 4.1264 13.1080 13.1080 14.9635 14.9635 k = 0.3333 0.5774 0.3372 ( 1410 PWs) bands (ev): -13.1777 -13.1777 -13.1750 -13.1750 -0.5036 -0.5036 -0.4930 -0.4930 0.0296 0.0296 0.7133 0.7133 0.7548 0.7548 0.9118 0.9118 1.8904 1.8904 2.2866 2.2866 2.3676 2.3676 4.1231 4.1231 4.1266 4.1266 13.1107 13.1107 15.0098 15.0098 k = 0.3333 0.5774 0.3372 ( 1410 PWs) bands (ev): -13.1777 -13.1777 -13.1750 -13.1750 -0.5036 -0.5036 -0.4930 -0.4930 0.0296 0.0296 0.7133 0.7133 0.7548 0.7548 0.9118 0.9118 1.8904 1.8904 2.2866 2.2866 2.3676 2.3676 4.1231 4.1231 4.1266 4.1266 13.1107 13.1107 15.0098 15.0098 k = 0.3284 0.5689 0.3372 ( 1410 PWs) bands (ev): -13.1782 -13.1782 -13.1748 -13.1748 -0.5054 -0.5054 -0.4946 -0.4946 0.0338 0.0338 0.7085 0.7085 0.7528 0.7528 0.9196 0.9196 1.8908 1.8908 2.2857 2.2857 2.3683 2.3683 4.1227 4.1227 4.1265 4.1265 13.1078 13.1078 14.9697 14.9697 k = 0.3235 0.5604 0.3372 ( 1414 PWs) bands (ev): -13.1796 -13.1796 -13.1744 -13.1744 -0.5121 -0.5121 -0.4973 -0.4973 0.0456 0.0456 0.6924 0.6924 0.7524 0.7524 0.9394 0.9394 1.8919 1.8919 2.2828 2.2828 2.3704 2.3704 4.1212 4.1212 4.1261 4.1261 13.0991 13.0991 14.9157 14.9157 k = 0.3186 0.5519 0.3372 ( 1414 PWs) bands (ev): -13.1817 -13.1817 -13.1741 -13.1741 -0.5246 -0.5246 -0.4989 -0.4989 0.0634 0.0634 0.6685 0.6685 0.7554 0.7554 0.9660 0.9660 1.8940 1.8940 2.2780 2.2780 2.3740 2.3740 4.1188 4.1188 4.1256 4.1256 13.0840 13.0840 14.8676 14.8676 k = 0.3137 0.5434 0.3372 ( 1422 PWs) bands (ev): -13.1844 -13.1844 -13.1739 -13.1739 -0.5411 -0.5411 -0.5001 -0.5001 0.0857 0.0857 0.6414 0.6414 0.7603 0.7603 0.9965 0.9965 1.8972 1.8972 2.2716 2.2716 2.3786 2.3786 4.1152 4.1152 4.1249 4.1249 13.0626 13.0626 14.8272 14.8272 k = 0.3088 0.5349 0.3372 ( 1418 PWs) bands (ev): -13.1878 -13.1878 -13.1738 -13.1738 -0.5597 -0.5597 -0.5012 -0.5012 0.1109 0.1109 0.6141 0.6141 0.7661 0.7661 1.0294 1.0294 1.9015 1.9015 2.2639 2.2639 2.3843 2.3843 4.1106 4.1106 4.1240 4.1240 13.0347 13.0347 14.7951 14.7951 k = 0.3039 0.5264 0.3372 ( 1414 PWs) bands (ev): -13.1917 -13.1917 -13.1740 -13.1740 -0.5793 -0.5793 -0.5026 -0.5026 0.1377 0.1377 0.5876 0.5876 0.7727 0.7727 1.0640 1.0640 1.9072 1.9072 2.2551 2.2551 2.3907 2.3907 4.1049 4.1049 4.1229 4.1229 13.0006 13.0006 14.7714 14.7714 k = 0.2990 0.5179 0.3372 ( 1406 PWs) bands (ev): -13.1963 -13.1963 -13.1743 -13.1743 -0.5989 -0.5989 -0.5043 -0.5043 0.1650 0.1650 0.5628 0.5628 0.7798 0.7798 1.0998 1.0998 1.9141 1.9141 2.2454 2.2454 2.3977 2.3977 4.0981 4.0981 4.1216 4.1216 12.9606 12.9606 14.7557 14.7558 k = 0.2941 0.5094 0.3372 ( 1406 PWs) bands (ev): -13.2015 -13.2015 -13.1749 -13.1749 -0.6179 -0.6179 -0.5065 -0.5065 0.1918 0.1918 0.5401 0.5401 0.7875 0.7875 1.1366 1.1366 1.9224 1.9224 2.2350 2.2350 2.4049 2.4049 4.0901 4.0901 4.1201 4.1201 12.9150 12.9150 14.7479 14.7479 k = 0.2892 0.5009 0.3372 ( 1406 PWs) bands (ev): -13.2074 -13.2074 -13.1757 -13.1757 -0.6358 -0.6358 -0.5093 -0.5093 0.2174 0.2174 0.5198 0.5198 0.7959 0.7959 1.1742 1.1742 1.9321 1.9321 2.2242 2.2242 2.4124 2.4124 4.0809 4.0809 4.1185 4.1185 12.8646 12.8646 14.7474 14.7474 k = 0.2843 0.4924 0.3372 ( 1406 PWs) bands (ev): -13.2139 -13.2139 -13.1768 -13.1768 -0.6522 -0.6522 -0.5127 -0.5127 0.2412 0.2412 0.5021 0.5021 0.8049 0.8049 1.2126 1.2126 1.9434 1.9434 2.2131 2.2131 2.4199 2.4199 4.0705 4.0705 4.1168 4.1168 12.8099 12.8099 14.7536 14.7536 k = 0.2794 0.4840 0.3372 ( 1406 PWs) bands (ev): -13.2211 -13.2211 -13.1781 -13.1781 -0.6669 -0.6669 -0.5168 -0.5168 0.2628 0.2628 0.4873 0.4873 0.8145 0.8145 1.2517 1.2517 1.9561 1.9561 2.2019 2.2019 2.4275 2.4275 4.0588 4.0588 4.1150 4.1150 12.7515 12.7515 14.7661 14.7661 k = 0.2745 0.4755 0.3372 ( 1410 PWs) bands (ev): -13.2290 -13.2290 -13.1796 -13.1796 -0.6797 -0.6797 -0.5216 -0.5216 0.2818 0.2818 0.4753 0.4753 0.8248 0.8248 1.2915 1.2915 1.9703 1.9703 2.1909 2.1909 2.4350 2.4350 4.0459 4.0459 4.1131 4.1131 12.6900 12.6900 14.7843 14.7843 k = 0.2696 0.4670 0.3372 ( 1414 PWs) bands (ev): -13.2375 -13.2375 -13.1814 -13.1814 -0.6903 -0.6903 -0.5270 -0.5270 0.2979 0.2979 0.4664 0.4664 0.8355 0.8355 1.3318 1.3318 1.9858 1.9858 2.1804 2.1804 2.4425 2.4425 4.0317 4.0317 4.1112 4.1112 12.6260 12.6260 14.8076 14.8076 k = 0.2647 0.4585 0.3372 ( 1414 PWs) bands (ev): -13.2466 -13.2466 -13.1834 -13.1834 -0.6987 -0.6987 -0.5330 -0.5330 0.3110 0.3110 0.4605 0.4605 0.8467 0.8467 1.3728 1.3728 2.0021 2.0021 2.1710 2.1710 2.4497 2.4497 4.0162 4.0162 4.1093 4.1093 12.5600 12.5600 14.8354 14.8354 k = 0.2598 0.4500 0.3372 ( 1414 PWs) bands (ev): -13.2564 -13.2564 -13.1857 -13.1857 -0.7049 -0.7049 -0.5396 -0.5396 0.3212 0.3212 0.4575 0.4575 0.8579 0.8579 1.4143 1.4143 2.0186 2.0186 2.1634 2.1634 2.4568 2.4568 3.9996 3.9996 4.1073 4.1073 12.4924 12.4924 14.8666 14.8666 k = 0.2549 0.4415 0.3372 ( 1414 PWs) bands (ev): -13.2669 -13.2669 -13.1882 -13.1882 -0.7087 -0.7087 -0.5466 -0.5466 0.3286 0.3286 0.4574 0.4574 0.8691 0.8691 1.4563 1.4563 2.0338 2.0338 2.1593 2.1593 2.4636 2.4636 3.9818 3.9818 4.1054 4.1054 12.4235 12.4235 14.8969 14.8969 k = 0.2500 0.4330 0.3372 ( 1414 PWs) bands (ev): -13.2780 -13.2780 -13.1910 -13.1910 -0.7101 -0.7101 -0.5540 -0.5540 0.3332 0.3332 0.4600 0.4600 0.8799 0.8799 1.4989 1.4989 2.0458 2.0458 2.1605 2.1605 2.4702 2.4702 3.9628 3.9628 4.1036 4.1036 12.3537 12.3537 14.8973 14.8973 k = 0.2451 0.4245 0.3372 ( 1410 PWs) bands (ev): -13.2897 -13.2897 -13.1941 -13.1941 -0.7091 -0.7091 -0.5616 -0.5616 0.3354 0.3354 0.4653 0.4653 0.8901 0.8901 1.5418 1.5418 2.0524 2.0524 2.1694 2.1694 2.4764 2.4764 3.9427 3.9427 4.1018 4.1018 12.2833 12.2833 14.8575 14.8575 k = 0.2402 0.4160 0.3372 ( 1414 PWs) bands (ev): -13.3020 -13.3020 -13.1973 -13.1973 -0.7058 -0.7058 -0.5693 -0.5693 0.3353 0.3353 0.4730 0.4730 0.8995 0.8995 1.5851 1.5851 2.0533 2.0533 2.1861 2.1861 2.4823 2.4823 3.9215 3.9215 4.1001 4.1001 12.2124 12.2124 14.8080 14.8080 k = 0.2353 0.4075 0.3372 ( 1418 PWs) bands (ev): -13.3149 -13.3149 -13.2009 -13.2009 -0.7002 -0.7002 -0.5770 -0.5770 0.3331 0.3331 0.4830 0.4830 0.9079 0.9079 1.6288 1.6288 2.0499 2.0499 2.2090 2.2090 2.4877 2.4877 3.8994 3.8994 4.0986 4.0986 12.1412 12.1412 14.7543 14.7543 k = 0.2304 0.3991 0.3372 ( 1414 PWs) bands (ev): -13.3284 -13.3284 -13.2046 -13.2046 -0.6922 -0.6922 -0.5845 -0.5845 0.3290 0.3290 0.4953 0.4953 0.9151 0.9151 1.6727 1.6727 2.0443 2.0443 2.2363 2.2363 2.4929 2.4929 3.8764 3.8764 4.0971 4.0971 12.0700 12.0700 14.6974 14.6974 k = 0.2255 0.3906 0.3372 ( 1414 PWs) bands (ev): -13.3424 -13.3424 -13.2086 -13.2086 -0.6821 -0.6821 -0.5917 -0.5917 0.3232 0.3232 0.5097 0.5097 0.9211 0.9211 1.7167 1.7167 2.0376 2.0376 2.2664 2.2664 2.4978 2.4978 3.8527 3.8527 4.0959 4.0959 11.9987 11.9987 14.6376 14.6376 k = 0.2206 0.3821 0.3372 ( 1418 PWs) bands (ev): -13.3569 -13.3569 -13.2128 -13.2128 -0.6699 -0.6699 -0.5984 -0.5984 0.3159 0.3159 0.5259 0.5259 0.9258 0.9258 1.7606 1.7606 2.0305 2.0305 2.2984 2.2984 2.5025 2.5025 3.8282 3.8282 4.0948 4.0948 11.9275 11.9275 14.5751 14.5751 k = 0.2157 0.3736 0.3372 ( 1418 PWs) bands (ev): -13.3719 -13.3719 -13.2172 -13.2172 -0.6557 -0.6557 -0.6043 -0.6043 0.3072 0.3072 0.5440 0.5440 0.9292 0.9292 1.8042 1.8042 2.0237 2.0237 2.3314 2.3314 2.5073 2.5073 3.8033 3.8033 4.0939 4.0939 11.8564 11.8564 14.5101 14.5101 k = 0.2108 0.3651 0.3372 ( 1418 PWs) bands (ev): -13.3873 -13.3873 -13.2218 -13.2218 -0.6399 -0.6399 -0.6093 -0.6093 0.2973 0.2973 0.5637 0.5637 0.9315 0.9315 1.8472 1.8472 2.0176 2.0176 2.3646 2.3646 2.5124 2.5124 3.7780 3.7780 4.0932 4.0932 11.7856 11.7856 14.4427 14.4427 k = 0.2059 0.3566 0.3372 ( 1422 PWs) bands (ev): -13.4032 -13.4032 -13.2267 -13.2267 -0.6248 -0.6248 -0.6110 -0.6110 0.2863 0.2863 0.5849 0.5849 0.9328 0.9328 1.8887 1.8887 2.0130 2.0130 2.3968 2.3968 2.5188 2.5188 3.7525 3.7525 4.0928 4.0928 11.7150 11.7150 14.3731 14.3731 k = 0.2010 0.3481 0.3372 ( 1422 PWs) bands (ev): -13.4194 -13.4194 -13.2317 -13.2317 -0.6213 -0.6213 -0.5984 -0.5984 0.2744 0.2744 0.6074 0.6074 0.9332 0.9332 1.9269 1.9269 2.0117 2.0117 2.4264 2.4264 2.5277 2.5277 3.7271 3.7271 4.0927 4.0927 11.6448 11.6448 14.3014 14.3014 k = 0.1961 0.3396 0.3372 ( 1422 PWs) bands (ev): -13.4360 -13.4360 -13.2369 -13.2369 -0.6232 -0.6232 -0.5780 -0.5780 0.2617 0.2617 0.6311 0.6311 0.9329 0.9329 1.9563 1.9563 2.0188 2.0188 2.4508 2.4508 2.5417 2.5417 3.7019 3.7019 4.0929 4.0929 11.5748 11.5748 14.2277 14.2277 k = 0.1912 0.3311 0.3372 ( 1426 PWs) bands (ev): -13.4529 -13.4529 -13.2422 -13.2422 -0.6248 -0.6248 -0.5556 -0.5556 0.2483 0.2483 0.6558 0.6558 0.9321 0.9321 1.9694 1.9694 2.0415 2.0415 2.4679 2.4679 2.5625 2.5625 3.6772 3.6772 4.0934 4.0934 11.5052 11.5052 14.1523 14.1523 k = 0.1863 0.3226 0.3372 ( 1430 PWs) bands (ev): -13.4701 -13.4701 -13.2477 -13.2477 -0.6255 -0.6255 -0.5319 -0.5319 0.2343 0.2343 0.6815 0.6815 0.9313 0.9313 1.9717 1.9717 2.0738 2.0738 2.4783 2.4783 2.5894 2.5894 3.6533 3.6533 4.0942 4.0942 11.4360 11.4360 14.0751 14.0751 k = 0.1814 0.3141 0.3372 ( 1430 PWs) bands (ev): -13.4875 -13.4875 -13.2533 -13.2533 -0.6251 -0.6251 -0.5072 -0.5072 0.2199 0.2199 0.7079 0.7079 0.9306 0.9306 1.9706 1.9706 2.1078 2.1078 2.4849 2.4849 2.6199 2.6199 3.6305 3.6305 4.0955 4.0955 11.3672 11.3672 13.9965 13.9965 k = 0.1765 0.3057 0.3372 ( 1430 PWs) bands (ev): -13.5050 -13.5050 -13.2590 -13.2590 -0.6235 -0.6235 -0.4818 -0.4818 0.2051 0.2051 0.7348 0.7348 0.9304 0.9304 1.9687 1.9687 2.1402 2.1402 2.4897 2.4897 2.6518 2.6518 3.6093 3.6093 4.0971 4.0971 11.2988 11.2988 13.9166 13.9166 k = 0.1716 0.2972 0.3372 ( 1430 PWs) bands (ev): -13.5228 -13.5228 -13.2649 -13.2649 -0.6208 -0.6208 -0.4560 -0.4560 0.1900 0.1900 0.7622 0.7622 0.9313 0.9313 1.9667 1.9667 2.1693 2.1693 2.4942 2.4942 2.6839 2.6839 3.5899 3.5899 4.0992 4.0992 11.2308 11.2308 13.8354 13.8354 k = 0.1667 0.2887 0.3372 ( 1434 PWs) bands (ev): -13.5406 -13.5406 -13.2708 -13.2708 -0.6169 -0.6169 -0.4301 -0.4301 0.1746 0.1746 0.7894 0.7894 0.9336 0.9336 1.9649 1.9649 2.1940 2.1940 2.4995 2.4995 2.7154 2.7154 3.5729 3.5729 4.1018 4.1018 11.1633 11.1633 13.7533 13.7533 k = 0.1618 0.2802 0.3372 ( 1434 PWs) bands (ev): -13.5585 -13.5585 -13.2768 -13.2768 -0.6117 -0.6117 -0.4043 -0.4043 0.1592 0.1592 0.8163 0.8163 0.9382 0.9382 1.9634 1.9634 2.2131 2.2131 2.5063 2.5063 2.7460 2.7460 3.5587 3.5587 4.1048 4.1048 11.0963 11.0963 13.6703 13.6703 k = 0.1569 0.2717 0.3372 ( 1430 PWs) bands (ev): -13.5764 -13.5764 -13.2829 -13.2829 -0.6053 -0.6053 -0.3790 -0.3790 0.1438 0.1438 0.8422 0.8422 0.9457 0.9457 1.9625 1.9625 2.2261 2.2261 2.5149 2.5149 2.7752 2.7752 3.5478 3.5478 4.1084 4.1084 11.0298 11.0298 13.5866 13.5866 k = 0.1520 0.2632 0.3372 ( 1430 PWs) bands (ev): -13.5943 -13.5943 -13.2890 -13.2890 -0.5976 -0.5976 -0.3546 -0.3546 0.1283 0.1283 0.8666 0.8666 0.9571 0.9571 1.9619 1.9619 2.2326 2.2326 2.5252 2.5252 2.8028 2.8028 3.5406 3.5406 4.1126 4.1126 10.9638 10.9638 13.5023 13.5023 k = 0.1471 0.2547 0.3372 ( 1426 PWs) bands (ev): -13.6122 -13.6122 -13.2952 -13.2952 -0.5887 -0.5887 -0.3313 -0.3313 0.1130 0.1130 0.8888 0.8888 0.9731 0.9731 1.9617 1.9617 2.2329 2.2329 2.5364 2.5364 2.8286 2.8286 3.5375 3.5375 4.1172 4.1172 10.8985 10.8985 13.4177 13.4177 k = 0.1422 0.2462 0.3372 ( 1426 PWs) bands (ev): -13.6299 -13.6299 -13.3013 -13.3013 -0.5787 -0.5787 -0.3095 -0.3095 0.0978 0.0978 0.9091 0.9091 0.9938 0.9938 1.9620 1.9620 2.2276 2.2276 2.5478 2.5478 2.8525 2.8525 3.5390 3.5390 4.1225 4.1225 10.8338 10.8338 13.3329 13.3329 k = 0.1373 0.2377 0.3372 ( 1426 PWs) bands (ev): -13.6475 -13.6475 -13.3074 -13.3074 -0.5674 -0.5674 -0.2895 -0.2895 0.0829 0.0829 0.9285 0.9285 1.0182 1.0182 1.9626 1.9626 2.2173 2.2173 2.5582 2.5582 2.8741 2.8741 3.5453 3.5453 4.1283 4.1283 10.7698 10.7698 13.2481 13.2481 k = 0.1324 0.2292 0.3372 ( 1426 PWs) bands (ev): -13.6649 -13.6649 -13.3135 -13.3135 -0.5550 -0.5550 -0.2716 -0.2716 0.0684 0.0684 0.9483 0.9483 1.0453 1.0453 1.9638 1.9638 2.2029 2.2029 2.5670 2.5670 2.8936 2.8936 3.5565 3.5565 4.1346 4.1346 10.7066 10.7066 13.1634 13.1634 k = 0.1275 0.2208 0.3372 ( 1422 PWs) bands (ev): -13.6820 -13.6820 -13.3196 -13.3196 -0.5415 -0.5415 -0.2558 -0.2558 0.0543 0.0543 0.9696 0.9696 1.0741 1.0741 1.9654 1.9654 2.1849 2.1849 2.5736 2.5736 2.9106 2.9106 3.5725 3.5725 4.1415 4.1415 10.6443 10.6443 13.0791 13.0791 k = 0.1225 0.2123 0.3372 ( 1422 PWs) bands (ev): -13.6989 -13.6989 -13.3256 -13.3256 -0.5269 -0.5269 -0.2425 -0.2425 0.0406 0.0406 0.9929 0.9929 1.1040 1.1040 1.9673 1.9673 2.1638 2.1638 2.5776 2.5776 2.9252 2.9252 3.5932 3.5932 4.1489 4.1489 10.5829 10.5829 12.9953 12.9953 k = 0.1176 0.2038 0.3372 ( 1422 PWs) bands (ev): -13.7154 -13.7154 -13.3316 -13.3316 -0.5114 -0.5114 -0.2316 -0.2316 0.0275 0.0275 1.0186 1.0186 1.1345 1.1345 1.9698 1.9698 2.1400 2.1400 2.5791 2.5791 2.9373 2.9373 3.6182 3.6182 4.1567 4.1567 10.5224 10.5224 12.9123 12.9123 k = 0.1127 0.1953 0.3372 ( 1430 PWs) bands (ev): -13.7316 -13.7316 -13.3374 -13.3374 -0.4949 -0.4949 -0.2233 -0.2233 0.0150 0.0150 1.0467 1.0467 1.1652 1.1652 1.9728 1.9728 2.1141 2.1141 2.5780 2.5780 2.9466 2.9466 3.6471 3.6471 4.1650 4.1650 10.4631 10.4631 12.8301 12.8301 k = 0.1078 0.1868 0.3372 ( 1422 PWs) bands (ev): -13.7474 -13.7474 -13.3431 -13.3431 -0.4774 -0.4774 -0.2173 -0.2173 0.0032 0.0032 1.0773 1.0773 1.1963 1.1963 1.9763 1.9763 2.0863 2.0863 2.5747 2.5747 2.9535 2.9535 3.6794 3.6794 4.1738 4.1738 10.4050 10.4050 12.7490 12.7490 k = 0.1029 0.1783 0.3372 ( 1426 PWs) bands (ev): -13.7628 -13.7628 -13.3487 -13.3487 -0.4592 -0.4592 -0.2137 -0.2137 -0.0080 -0.0080 1.1102 1.1102 1.2271 1.2271 1.9800 1.9800 2.0573 2.0573 2.5692 2.5692 2.9576 2.9576 3.7144 3.7144 4.1828 4.1828 10.3482 10.3482 12.6693 12.6693 k = 0.0980 0.1698 0.3372 ( 1426 PWs) bands (ev): -13.7777 -13.7777 -13.3542 -13.3542 -0.4403 -0.4403 -0.2122 -0.2122 -0.0185 -0.0185 1.1451 1.1451 1.2580 1.2580 1.9832 1.9832 2.0282 2.0282 2.5619 2.5619 2.9591 2.9591 3.7517 3.7517 4.1920 4.1920 10.2928 10.2928 12.5911 12.5911 k = 0.0931 0.1613 0.3372 ( 1428 PWs) bands (ev): -13.7921 -13.7921 -13.3595 -13.3595 -0.4208 -0.4208 -0.2126 -0.2126 -0.0283 -0.0283 1.1817 1.1817 1.2886 1.2886 1.9792 1.9792 2.0061 2.0061 2.5531 2.5531 2.9580 2.9580 3.7907 3.7907 4.2015 4.2015 10.2390 10.2390 12.5146 12.5146 k = 0.0882 0.1528 0.3372 ( 1428 PWs) bands (ev): -13.8060 -13.8060 -13.3646 -13.3646 -0.4007 -0.4007 -0.2147 -0.2147 -0.0375 -0.0375 1.2196 1.2196 1.3188 1.3188 1.9546 1.9546 2.0048 2.0048 2.5430 2.5430 2.9543 2.9543 3.8309 3.8309 4.2110 4.2110 10.1869 10.1869 12.4401 12.4401 k = 0.0833 0.1443 0.3372 ( 1424 PWs) bands (ev): -13.8193 -13.8193 -13.3695 -13.3695 -0.3803 -0.3803 -0.2180 -0.2180 -0.0461 -0.0461 1.2583 1.2583 1.3488 1.3488 1.9229 1.9229 2.0113 2.0113 2.5318 2.5318 2.9480 2.9480 3.8718 3.8718 4.2206 4.2206 10.1366 10.1366 12.3678 12.3678 k = 0.0784 0.1358 0.3372 ( 1424 PWs) bands (ev): -13.8320 -13.8320 -13.3743 -13.3743 -0.3596 -0.3596 -0.2225 -0.2225 -0.0542 -0.0542 1.2972 1.2972 1.3781 1.3781 1.8899 1.8899 2.0202 2.0202 2.5198 2.5198 2.9391 2.9391 3.9128 3.9128 4.2301 4.2301 10.0881 10.0881 12.2980 12.2980 k = 0.0735 0.1274 0.3372 ( 1424 PWs) bands (ev): -13.8441 -13.8441 -13.3788 -13.3788 -0.3389 -0.3389 -0.2277 -0.2277 -0.0617 -0.0617 1.3359 1.3359 1.4070 1.4070 1.8566 1.8566 2.0310 2.0310 2.5072 2.5072 2.9278 2.9278 3.9536 3.9536 4.2395 4.2395 10.0418 10.0418 12.2307 12.2307 k = 0.0686 0.1189 0.3372 ( 1420 PWs) bands (ev): -13.8556 -13.8556 -13.3831 -13.3831 -0.3182 -0.3182 -0.2334 -0.2334 -0.0687 -0.0687 1.3737 1.3737 1.4352 1.4352 1.8236 1.8236 2.0437 2.0437 2.4942 2.4942 2.9142 2.9142 3.9938 3.9938 4.2486 4.2486 9.9976 9.9976 12.1664 12.1664 k = 0.0637 0.1104 0.3372 ( 1420 PWs) bands (ev): -13.8664 -13.8664 -13.3871 -13.3871 -0.2979 -0.2979 -0.2393 -0.2393 -0.0752 -0.0752 1.4101 1.4101 1.4627 1.4627 1.7911 1.7911 2.0583 2.0583 2.4809 2.4809 2.8982 2.8982 4.0329 4.0329 4.2575 4.2575 9.9558 9.9558 12.1052 12.1052 k = 0.0588 0.1019 0.3372 ( 1420 PWs) bands (ev): -13.8764 -13.8764 -13.3909 -13.3909 -0.2787 -0.2787 -0.2448 -0.2448 -0.0812 -0.0812 1.4443 1.4443 1.4895 1.4895 1.7597 1.7597 2.0752 2.0752 2.4674 2.4674 2.8800 2.8800 4.0706 4.0706 4.2661 4.2661 9.9164 9.9164 12.0474 12.0474 k = 0.0539 0.0934 0.3372 ( 1412 PWs) bands (ev): -13.8858 -13.8858 -13.3945 -13.3945 -0.2633 -0.2633 -0.2468 -0.2468 -0.0866 -0.0866 1.4758 1.4758 1.5154 1.5154 1.7296 1.7296 2.0945 2.0945 2.4541 2.4541 2.8597 2.8597 4.1066 4.1066 4.2743 4.2743 9.8796 9.8796 11.9931 11.9931 k = 0.0490 0.0849 0.3372 ( 1412 PWs) bands (ev): -13.8944 -13.8944 -13.3977 -13.3977 -0.2620 -0.2620 -0.2357 -0.2357 -0.0914 -0.0914 1.5039 1.5039 1.5401 1.5401 1.7014 1.7014 2.1162 2.1162 2.4410 2.4410 2.8374 2.8374 4.1405 4.1405 4.2820 4.2820 9.8456 9.8456 11.9427 11.9427 k = 0.0441 0.0764 0.3372 ( 1404 PWs) bands (ev): -13.9022 -13.9022 -13.4007 -13.4007 -0.2666 -0.2666 -0.2194 -0.2194 -0.0955 -0.0955 1.5282 1.5282 1.5636 1.5636 1.6759 1.6759 2.1403 2.1403 2.4283 2.4283 2.8134 2.8134 4.1720 4.1720 4.2892 4.2892 9.8144 9.8144 11.8963 11.8963 k = 0.0392 0.0679 0.3372 ( 1412 PWs) bands (ev): -13.9093 -13.9093 -13.4034 -13.4034 -0.2717 -0.2717 -0.2038 -0.2038 -0.0990 -0.0990 1.5475 1.5475 1.5850 1.5850 1.6542 1.6542 2.1667 2.1667 2.4162 2.4162 2.7877 2.7877 4.2009 4.2009 4.2959 4.2959 9.7861 9.7861 11.8541 11.8541 k = 0.0343 0.0594 0.3372 ( 1412 PWs) bands (ev): -13.9156 -13.9156 -13.4058 -13.4058 -0.2765 -0.2765 -0.1897 -0.1897 -0.1015 -0.1015 1.5600 1.5600 1.6041 1.6041 1.6391 1.6391 2.1949 2.1949 2.4049 2.4049 2.7607 2.7607 4.2268 4.2268 4.3020 4.3020 9.7609 9.7609 11.8164 11.8164 k = 0.0294 0.0509 0.3372 ( 1408 PWs) bands (ev): -13.9210 -13.9210 -13.4079 -13.4079 -0.2809 -0.2809 -0.1776 -0.1776 -0.1029 -0.1029 1.5627 1.5627 1.6200 1.6200 1.6344 1.6344 2.2245 2.2245 2.3947 2.3947 2.7328 2.7328 4.2495 4.2495 4.3077 4.3077 9.7388 9.7388 11.7833 11.7833 k = 0.0245 0.0425 0.3372 ( 1400 PWs) bands (ev): -13.9257 -13.9257 -13.4097 -13.4097 -0.2847 -0.2847 -0.1679 -0.1679 -0.1031 -0.1031 1.5564 1.5564 1.6313 1.6313 1.6407 1.6407 2.2547 2.2547 2.3858 2.3858 2.7044 2.7044 4.2686 4.2686 4.3130 4.3130 9.7200 9.7200 11.7550 11.7550 k = 0.0196 0.0340 0.3372 ( 1398 PWs) bands (ev): -13.9295 -13.9295 -13.4111 -13.4111 -0.2879 -0.2879 -0.1607 -0.1607 -0.1022 -0.1022 1.5467 1.5467 1.6400 1.6400 1.6506 1.6506 2.2843 2.2843 2.3785 2.3785 2.6765 2.6765 4.2838 4.2838 4.3181 4.3181 9.7045 9.7045 11.7317 11.7317 k = 0.0147 0.0255 0.3372 ( 1398 PWs) bands (ev): -13.9325 -13.9325 -13.4123 -13.4123 -0.2905 -0.2905 -0.1558 -0.1558 -0.1007 -0.1007 1.5373 1.5373 1.6474 1.6474 1.6593 1.6593 2.3113 2.3113 2.3734 2.3734 2.6501 2.6501 4.2948 4.2948 4.3230 4.3230 9.6924 9.6924 11.7134 11.7134 k = 0.0098 0.0170 0.3372 ( 1392 PWs) bands (ev): -13.9346 -13.9346 -13.4131 -13.4131 -0.2923 -0.2923 -0.1528 -0.1528 -0.0989 -0.0989 1.5299 1.5299 1.6531 1.6531 1.6657 1.6657 2.3326 2.3326 2.3718 2.3718 2.6275 2.6275 4.3020 4.3020 4.3274 4.3274 9.6837 9.6837 11.7002 11.7002 k = 0.0049 0.0085 0.3372 ( 1388 PWs) bands (ev): -13.9359 -13.9359 -13.4136 -13.4136 -0.2934 -0.2934 -0.1512 -0.1512 -0.0976 -0.0976 1.5253 1.5253 1.6566 1.6566 1.6696 1.6696 2.3441 2.3441 2.3745 2.3745 2.6115 2.6115 4.3058 4.3058 4.3305 4.3305 9.6785 9.6785 11.6923 11.6923 k = 0.0000 0.0000 0.3372 ( 1388 PWs) bands (ev): -13.9363 -13.9363 -13.4137 -13.4137 -0.2937 -0.2937 -0.1507 -0.1507 -0.0971 -0.0971 1.5237 1.5237 1.6577 1.6577 1.6709 1.6709 2.3469 2.3469 2.3769 2.3769 2.6056 2.6056 4.3070 4.3070 4.3317 4.3317 9.6767 9.6767 11.6896 11.6896 k = 0.5000 0.2887 0.3372 ( 1416 PWs) bands (ev): -13.2402 -13.2402 -13.2243 -13.2243 -1.2537 -1.2537 -0.3106 -0.3106 0.0429 0.0429 0.5413 0.5413 1.6717 1.6717 1.7771 1.7771 1.9021 1.9021 2.1780 2.1780 2.2509 2.2509 3.9546 3.9546 4.0977 4.0977 12.3153 12.3153 13.0019 13.0019 k = 0.5000 0.2887 0.3276 ( 1414 PWs) bands (ev): -13.2412 -13.2412 -13.2233 -13.2233 -1.2535 -1.2535 -0.3097 -0.3097 0.0431 0.0431 0.5413 0.5413 1.6711 1.6711 1.7770 1.7770 1.9021 1.9021 2.1751 2.1751 2.2523 2.2523 3.9547 3.9547 4.0981 4.0981 12.3155 12.3155 13.0022 13.0022 k = 0.5000 0.2887 0.3180 ( 1416 PWs) bands (ev): -13.2438 -13.2438 -13.2207 -13.2207 -1.2528 -1.2528 -0.3072 -0.3072 0.0437 0.0437 0.5414 0.5414 1.6695 1.6695 1.7766 1.7766 1.9020 1.9020 2.1672 2.1672 2.2561 2.2561 3.9551 3.9551 4.0994 4.0994 12.3163 12.3163 13.0032 13.0032 k = 0.5000 0.2887 0.3083 ( 1416 PWs) bands (ev): -13.2472 -13.2472 -13.2175 -13.2175 -1.2516 -1.2516 -0.3030 -0.3030 0.0448 0.0448 0.5415 0.5415 1.6667 1.6667 1.7759 1.7759 1.9019 1.9019 2.1553 2.1553 2.2610 2.2610 3.9556 3.9556 4.1016 4.1016 12.3176 12.3176 13.0048 13.0048 k = 0.5000 0.2887 0.2987 ( 1420 PWs) bands (ev): -13.2509 -13.2509 -13.2140 -13.2140 -1.2499 -1.2499 -0.2971 -0.2971 0.0463 0.0463 0.5416 0.5416 1.6628 1.6628 1.7748 1.7748 1.9017 1.9017 2.1404 2.1404 2.2662 2.2662 3.9564 3.9564 4.1046 4.1046 12.3195 12.3195 13.0070 13.0070 k = 0.5000 0.2887 0.2891 ( 1420 PWs) bands (ev): -13.2548 -13.2548 -13.2103 -13.2103 -1.2478 -1.2478 -0.2896 -0.2896 0.0481 0.0481 0.5419 0.5419 1.6579 1.6579 1.7735 1.7735 1.9014 1.9014 2.1231 2.1231 2.2713 2.2713 3.9572 3.9572 4.1084 4.1084 12.3220 12.3220 13.0097 13.0097 k = 0.5000 0.2887 0.2794 ( 1426 PWs) bands (ev): -13.2588 -13.2588 -13.2066 -13.2066 -1.2452 -1.2452 -0.2806 -0.2806 0.0503 0.0503 0.5421 0.5421 1.6520 1.6520 1.7718 1.7718 1.9009 1.9009 2.1039 2.1039 2.2760 2.2760 3.9582 3.9582 4.1130 4.1130 12.3250 12.3250 13.0129 13.0129 k = 0.5000 0.2887 0.2698 ( 1428 PWs) bands (ev): -13.2628 -13.2628 -13.2029 -13.2029 -1.2421 -1.2421 -0.2699 -0.2699 0.0530 0.0530 0.5424 0.5424 1.6451 1.6451 1.7696 1.7696 1.9004 1.9004 2.0830 2.0830 2.2801 2.2801 3.9592 3.9592 4.1183 4.1183 12.3287 12.3287 13.0165 13.0165 k = 0.5000 0.2887 0.2602 ( 1434 PWs) bands (ev): -13.2668 -13.2668 -13.1992 -13.1992 -1.2386 -1.2386 -0.2577 -0.2577 0.0560 0.0560 0.5426 0.5426 1.6374 1.6374 1.7669 1.7669 1.8996 1.8996 2.0609 2.0609 2.2838 2.2838 3.9601 3.9601 4.1242 4.1242 12.3331 12.3331 13.0205 13.0205 k = 0.5000 0.2887 0.2505 ( 1434 PWs) bands (ev): -13.2707 -13.2707 -13.1956 -13.1956 -1.2348 -1.2348 -0.2440 -0.2440 0.0594 0.0594 0.5429 0.5429 1.6288 1.6288 1.7636 1.7636 1.8986 1.8986 2.0379 2.0379 2.2870 2.2870 3.9610 3.9610 4.1308 4.1308 12.3381 12.3381 13.0247 13.0247 k = 0.5000 0.2887 0.2409 ( 1434 PWs) bands (ev): -13.2747 -13.2747 -13.1921 -13.1921 -1.2305 -1.2305 -0.2289 -0.2289 0.0632 0.0632 0.5432 0.5432 1.6194 1.6194 1.7594 1.7594 1.8971 1.8971 2.0145 2.0145 2.2897 2.2897 3.9617 3.9617 4.1380 4.1380 12.3438 12.3438 13.0291 13.0291 k = 0.5000 0.2887 0.2312 ( 1434 PWs) bands (ev): -13.2786 -13.2786 -13.1887 -13.1887 -1.2258 -1.2258 -0.2124 -0.2124 0.0672 0.0672 0.5434 0.5434 1.6094 1.6094 1.7542 1.7542 1.8948 1.8948 1.9914 1.9914 2.2920 2.2920 3.9622 3.9622 4.1457 4.1457 12.3503 12.3503 13.0336 13.0336 k = 0.5000 0.2887 0.2216 ( 1430 PWs) bands (ev): -13.2824 -13.2824 -13.1853 -13.1853 -1.2209 -1.2209 -0.1945 -0.1945 0.0716 0.0716 0.5436 0.5436 1.5987 1.5987 1.7475 1.7475 1.8913 1.8913 1.9696 1.9696 2.2939 2.2939 3.9624 3.9624 4.1538 4.1538 12.3575 12.3575 13.0382 13.0382 k = 0.5000 0.2887 0.2120 ( 1426 PWs) bands (ev): -13.2861 -13.2861 -13.1821 -13.1821 -1.2156 -1.2156 -0.1754 -0.1754 0.0763 0.0763 0.5438 0.5438 1.5876 1.5876 1.7389 1.7389 1.8856 1.8856 1.9508 1.9508 2.2955 2.2955 3.9624 3.9624 4.1623 4.1623 12.3654 12.3654 13.0427 13.0427 k = 0.5000 0.2887 0.2023 ( 1422 PWs) bands (ev): -13.2898 -13.2898 -13.1789 -13.1789 -1.2100 -1.2100 -0.1552 -0.1552 0.0812 0.0812 0.5438 0.5438 1.5760 1.5760 1.7277 1.7277 1.8770 1.8770 1.9364 1.9364 2.2967 2.2967 3.9620 3.9620 4.1711 4.1711 12.3740 12.3740 13.0471 13.0471 k = 0.5000 0.2887 0.1927 ( 1422 PWs) bands (ev): -13.2933 -13.2933 -13.1759 -13.1759 -1.2042 -1.2042 -0.1338 -0.1338 0.0863 0.0863 0.5436 0.5436 1.5640 1.5640 1.7133 1.7133 1.8657 1.8657 1.9269 1.9269 2.2976 2.2976 3.9613 3.9613 4.1800 4.1800 12.3833 12.3833 13.0512 13.0512 k = 0.5000 0.2887 0.1831 ( 1422 PWs) bands (ev): -13.2968 -13.2968 -13.1730 -13.1730 -1.1982 -1.1982 -0.1114 -0.1114 0.0917 0.0917 0.5432 0.5432 1.5518 1.5518 1.6953 1.6953 1.8536 1.8536 1.9212 1.9212 2.2983 2.2983 3.9602 3.9602 4.1891 4.1891 12.3932 12.3932 13.0551 13.0551 k = 0.5000 0.2887 0.1734 ( 1418 PWs) bands (ev): -13.3001 -13.3001 -13.1702 -13.1702 -1.1921 -1.1921 -0.0880 -0.0880 0.0971 0.0971 0.5427 0.5427 1.5394 1.5394 1.6737 1.6737 1.8423 1.8423 1.9178 1.9178 2.2989 2.2989 3.9588 3.9588 4.1982 4.1982 12.4037 12.4037 13.0587 13.0587 k = 0.5000 0.2887 0.1638 ( 1422 PWs) bands (ev): -13.3033 -13.3033 -13.1676 -13.1676 -1.1858 -1.1858 -0.0638 -0.0638 0.1027 0.1027 0.5417 0.5417 1.5269 1.5269 1.6490 1.6490 1.8327 1.8327 1.9155 1.9155 2.2991 2.2991 3.9570 3.9570 4.2073 4.2073 12.4147 12.4147 13.0619 13.0619 k = 0.5000 0.2887 0.1542 ( 1422 PWs) bands (ev): -13.3064 -13.3064 -13.1651 -13.1651 -1.1795 -1.1795 -0.0389 -0.0389 0.1084 0.1084 0.5405 0.5405 1.5143 1.5143 1.6219 1.6219 1.8248 1.8248 1.9140 1.9140 2.2993 2.2993 3.9549 3.9549 4.2163 4.2163 12.4261 12.4261 13.0647 13.0647 k = 0.5000 0.2887 0.1445 ( 1418 PWs) bands (ev): -13.3093 -13.3093 -13.1627 -13.1627 -1.1732 -1.1732 -0.0133 -0.0133 0.1142 0.1142 0.5388 0.5388 1.5018 1.5018 1.5931 1.5931 1.8185 1.8185 1.9130 1.9130 2.2993 2.2993 3.9526 3.9526 4.2252 4.2252 12.4378 12.4378 13.0670 13.0670 k = 0.5000 0.2887 0.1349 ( 1422 PWs) bands (ev): -13.3121 -13.3121 -13.1604 -13.1604 -1.1670 -1.1670 0.0127 0.0127 0.1201 0.1201 0.5366 0.5366 1.4894 1.4894 1.5634 1.5634 1.8133 1.8133 1.9122 1.9122 2.2992 2.2992 3.9499 3.9499 4.2338 4.2338 12.4498 12.4498 13.0690 13.0690 k = 0.5000 0.2887 0.1253 ( 1422 PWs) bands (ev): -13.3147 -13.3147 -13.1583 -13.1583 -1.1609 -1.1609 0.0389 0.0389 0.1262 0.1262 0.5337 0.5337 1.4769 1.4769 1.5337 1.5337 1.8091 1.8091 1.9116 1.9116 2.2990 2.2990 3.9471 3.9471 4.2421 4.2421 12.4619 12.4619 13.0704 13.0704 k = 0.5000 0.2887 0.1156 ( 1422 PWs) bands (ev): -13.3172 -13.3172 -13.1564 -13.1564 -1.1549 -1.1549 0.0650 0.0650 0.1328 0.1328 0.5302 0.5302 1.4640 1.4640 1.5048 1.5048 1.8055 1.8055 1.9111 1.9111 2.2987 2.2987 3.9442 3.9442 4.2501 4.2501 12.4740 12.4740 13.0715 13.0715 k = 0.5000 0.2887 0.1060 ( 1424 PWs) bands (ev): -13.3194 -13.3194 -13.1546 -13.1546 -1.1492 -1.1492 0.0901 0.0901 0.1405 0.1405 0.5259 0.5259 1.4495 1.4495 1.4787 1.4787 1.8025 1.8025 1.9107 1.9107 2.2984 2.2984 3.9411 3.9411 4.2577 4.2577 12.4859 12.4859 13.0721 13.0721 k = 0.5000 0.2887 0.0964 ( 1424 PWs) bands (ev): -13.3215 -13.3215 -13.1529 -13.1529 -1.1437 -1.1437 0.1121 0.1121 0.1512 0.1512 0.5206 0.5206 1.4306 1.4306 1.4585 1.4585 1.8000 1.8000 1.9104 1.9104 2.2980 2.2980 3.9381 3.9381 4.2648 4.2648 12.4975 12.4975 13.0724 13.0724 k = 0.5000 0.2887 0.0867 ( 1424 PWs) bands (ev): -13.3235 -13.3235 -13.1514 -13.1514 -1.1386 -1.1386 0.1280 0.1280 0.1678 0.1678 0.5143 0.5143 1.4074 1.4074 1.4446 1.4446 1.7979 1.7979 1.9101 1.9101 2.2977 2.2977 3.9351 3.9351 4.2714 4.2714 12.5086 12.5086 13.0723 13.0723 k = 0.5000 0.2887 0.0771 ( 1420 PWs) bands (ev): -13.3252 -13.3252 -13.1501 -13.1501 -1.1339 -1.1339 0.1376 0.1376 0.1903 0.1903 0.5068 0.5068 1.3834 1.3834 1.4340 1.4340 1.7961 1.7961 1.9099 1.9099 2.2973 2.2973 3.9322 3.9322 4.2774 4.2774 12.5192 12.5192 13.0720 13.0720 k = 0.5000 0.2887 0.0674 ( 1408 PWs) bands (ev): -13.3267 -13.3267 -13.1489 -13.1489 -1.1295 -1.1295 0.1440 0.1440 0.2154 0.2154 0.4982 0.4982 1.3605 1.3605 1.4253 1.4253 1.7947 1.7947 1.9099 1.9099 2.2971 2.2971 3.9296 3.9296 4.2829 4.2829 12.5290 12.5290 13.0715 13.0715 k = 0.5000 0.2887 0.0578 ( 1412 PWs) bands (ev): -13.3281 -13.3281 -13.1478 -13.1478 -1.1257 -1.1257 0.1486 0.1486 0.2412 0.2412 0.4881 0.4881 1.3395 1.3395 1.4178 1.4178 1.7934 1.7934 1.9097 1.9097 2.2968 2.2968 3.9271 3.9271 4.2876 4.2876 12.5378 12.5378 13.0708 13.0708 k = 0.5000 0.2887 0.0482 ( 1412 PWs) bands (ev): -13.3292 -13.3292 -13.1469 -13.1469 -1.1224 -1.1224 0.1523 0.1523 0.2668 0.2668 0.4766 0.4766 1.3211 1.3211 1.4114 1.4114 1.7923 1.7923 1.9096 1.9096 2.2964 2.2964 3.9249 3.9249 4.2917 4.2917 12.5456 12.5456 13.0701 13.0701 k = 0.5000 0.2887 0.0385 ( 1412 PWs) bands (ev): -13.3302 -13.3302 -13.1462 -13.1462 -1.1196 -1.1196 0.1553 0.1553 0.2918 0.2918 0.4637 0.4637 1.3055 1.3055 1.4063 1.4063 1.7914 1.7914 1.9095 1.9095 2.2962 2.2962 3.9230 3.9230 4.2951 4.2951 12.5522 12.5522 13.0693 13.0693 k = 0.5000 0.2887 0.0289 ( 1416 PWs) bands (ev): -13.3309 -13.3309 -13.1457 -13.1457 -1.1174 -1.1174 0.1575 0.1575 0.3156 0.3156 0.4497 0.4497 1.2931 1.2931 1.4022 1.4022 1.7907 1.7907 1.9093 1.9093 2.2959 2.2959 3.9215 3.9215 4.2977 4.2977 12.5574 12.5574 13.0687 13.0687 k = 0.5000 0.2887 0.0193 ( 1412 PWs) bands (ev): -13.3314 -13.3314 -13.1453 -13.1453 -1.1159 -1.1159 0.1591 0.1591 0.3375 0.3375 0.4350 0.4350 1.2840 1.2840 1.3993 1.3993 1.7903 1.7903 1.9093 1.9093 2.2958 2.2958 3.9205 3.9205 4.2996 4.2996 12.5613 12.5613 13.0682 13.0682 k = 0.5000 0.2887 0.0096 ( 1410 PWs) bands (ev): -13.3317 -13.3317 -13.1450 -13.1450 -1.1149 -1.1149 0.1601 0.1601 0.3554 0.3554 0.4214 0.4214 1.2786 1.2786 1.3975 1.3975 1.7901 1.7901 1.9093 1.9093 2.2957 2.2957 3.9198 3.9198 4.3008 4.3008 12.5636 12.5636 13.0678 13.0678 k = 0.5000 0.2887-0.0000 ( 1410 PWs) bands (ev): -13.3318 -13.3318 -13.1449 -13.1449 -1.1146 -1.1146 0.1605 0.1605 0.3636 0.3636 0.4147 0.4147 1.2767 1.2767 1.3969 1.3969 1.7899 1.7899 1.9093 1.9093 2.2957 2.2957 3.9196 3.9196 4.3012 4.3012 12.5644 12.5644 13.0677 13.0677 k = 0.3333 0.5774-0.0000 ( 1428 PWs) bands (ev): -13.1837 -13.1837 -13.1809 -13.1809 -0.4077 -0.4077 -0.2726 -0.2726 -0.2486 -0.2486 0.5959 0.5959 0.6667 0.6667 1.4661 1.4661 1.8844 1.8844 2.4895 2.4895 2.5630 2.5630 3.6235 3.6235 3.6378 3.6378 12.9946 12.9946 14.8741 14.8741 k = 0.3333 0.5774 0.0096 ( 1428 PWs) bands (ev): -13.1837 -13.1837 -13.1809 -13.1809 -0.4071 -0.4071 -0.2731 -0.2731 -0.2492 -0.2492 0.5962 0.5962 0.6669 0.6669 1.4652 1.4652 1.8845 1.8845 2.4889 2.4889 2.5624 2.5624 3.6247 3.6247 3.6390 3.6390 12.9949 12.9949 14.8743 14.8743 k = 0.3333 0.5774 0.0193 ( 1428 PWs) bands (ev): -13.1836 -13.1836 -13.1809 -13.1809 -0.4053 -0.4053 -0.2747 -0.2747 -0.2509 -0.2509 0.5971 0.5971 0.6676 0.6676 1.4626 1.4626 1.8845 1.8845 2.4872 2.4872 2.5606 2.5606 3.6283 3.6283 3.6424 3.6424 12.9955 12.9955 14.8750 14.8750 k = 0.3333 0.5774 0.0289 ( 1428 PWs) bands (ev): -13.1836 -13.1836 -13.1808 -13.1808 -0.4022 -0.4022 -0.2772 -0.2772 -0.2538 -0.2538 0.5987 0.5987 0.6687 0.6687 1.4583 1.4583 1.8845 1.8845 2.4843 2.4843 2.5577 2.5577 3.6342 3.6342 3.6482 3.6482 12.9966 12.9966 14.8762 14.8762 k = 0.3333 0.5774 0.0385 ( 1428 PWs) bands (ev): -13.1835 -13.1835 -13.1807 -13.1807 -0.3979 -0.3979 -0.2808 -0.2808 -0.2577 -0.2577 0.6008 0.6008 0.6703 0.6703 1.4523 1.4523 1.8845 1.8845 2.4804 2.4804 2.5538 2.5538 3.6424 3.6424 3.6561 3.6561 12.9982 12.9982 14.8779 14.8779 k = 0.3333 0.5774 0.0482 ( 1428 PWs) bands (ev): -13.1834 -13.1834 -13.1806 -13.1806 -0.3924 -0.3924 -0.2852 -0.2852 -0.2627 -0.2627 0.6035 0.6035 0.6723 0.6723 1.4446 1.4446 1.8846 1.8846 2.4754 2.4754 2.5489 2.5489 3.6527 3.6527 3.6661 3.6661 13.0001 13.0001 14.8800 14.8800 k = 0.3333 0.5774 0.0578 ( 1428 PWs) bands (ev): -13.1833 -13.1833 -13.1805 -13.1805 -0.3858 -0.3858 -0.2905 -0.2905 -0.2686 -0.2686 0.6066 0.6066 0.6746 0.6746 1.4353 1.4353 1.8848 1.8848 2.4696 2.4696 2.5431 2.5431 3.6650 3.6650 3.6780 3.6780 13.0025 13.0025 14.8826 14.8826 k = 0.3333 0.5774 0.0674 ( 1428 PWs) bands (ev): -13.1831 -13.1831 -13.1803 -13.1803 -0.3780 -0.3780 -0.2966 -0.2966 -0.2755 -0.2755 0.6102 0.6102 0.6773 0.6773 1.4243 1.4243 1.8849 1.8849 2.4629 2.4629 2.5365 2.5365 3.6791 3.6791 3.6917 3.6917 13.0052 13.0052 14.8856 14.8856 k = 0.3333 0.5774 0.0771 ( 1428 PWs) bands (ev): -13.1829 -13.1829 -13.1802 -13.1802 -0.3693 -0.3693 -0.3033 -0.3033 -0.2831 -0.2831 0.6143 0.6143 0.6803 0.6803 1.4118 1.4118 1.8851 1.8851 2.4556 2.4556 2.5292 2.5292 3.6949 3.6949 3.7071 3.7071 13.0083 13.0083 14.8890 14.8890 k = 0.3333 0.5774 0.0867 ( 1428 PWs) bands (ev): -13.1827 -13.1827 -13.1800 -13.1800 -0.3597 -0.3597 -0.3103 -0.3103 -0.2915 -0.2915 0.6186 0.6186 0.6835 0.6835 1.3979 1.3979 1.8852 1.8852 2.4477 2.4477 2.5214 2.5214 3.7122 3.7122 3.7239 3.7239 13.0118 13.0118 14.8928 14.8928 k = 0.3333 0.5774 0.0964 ( 1425 PWs) bands (ev): -13.1825 -13.1825 -13.1798 -13.1798 -0.3499 -0.3499 -0.3171 -0.3171 -0.3006 -0.3006 0.6233 0.6233 0.6870 0.6870 1.3825 1.3825 1.8855 1.8855 2.4393 2.4393 2.5131 2.5131 3.7308 3.7308 3.7420 3.7420 13.0156 13.0156 14.8970 14.8970 k = 0.3333 0.5774 0.1060 ( 1419 PWs) bands (ev): -13.1823 -13.1823 -13.1796 -13.1796 -0.3427 -0.3427 -0.3208 -0.3208 -0.3102 -0.3102 0.6282 0.6282 0.6907 0.6907 1.3657 1.3657 1.8859 1.8859 2.4305 2.4305 2.5045 2.5045 3.7504 3.7504 3.7611 3.7611 13.0196 13.0196 14.9015 14.9015 k = 0.3333 0.5774 0.1156 ( 1419 PWs) bands (ev): -13.1821 -13.1821 -13.1793 -13.1793 -0.3443 -0.3443 -0.3202 -0.3202 -0.3151 -0.3151 0.6333 0.6333 0.6945 0.6945 1.3476 1.3476 1.8861 1.8861 2.4215 2.4215 2.4957 2.4957 3.7710 3.7710 3.7812 3.7812 13.0240 13.0240 14.9064 14.9064 k = 0.3333 0.5774 0.1253 ( 1425 PWs) bands (ev): -13.1819 -13.1819 -13.1791 -13.1791 -0.3517 -0.3517 -0.3307 -0.3307 -0.3030 -0.3030 0.6385 0.6385 0.6983 0.6983 1.3284 1.3284 1.8862 1.8862 2.4122 2.4122 2.4868 2.4868 3.7922 3.7922 3.8019 3.8019 13.0285 13.0285 14.9115 14.9115 k = 0.3333 0.5774 0.1349 ( 1425 PWs) bands (ev): -13.1816 -13.1816 -13.1789 -13.1789 -0.3608 -0.3608 -0.3414 -0.3414 -0.2885 -0.2885 0.6438 0.6438 0.7023 0.7023 1.3081 1.3081 1.8864 1.8864 2.4030 2.4030 2.4778 2.4778 3.8140 3.8140 3.8232 3.8232 13.0333 13.0333 14.9169 14.9169 k = 0.3333 0.5774 0.1445 ( 1425 PWs) bands (ev): -13.1813 -13.1813 -13.1786 -13.1786 -0.3706 -0.3706 -0.3522 -0.3522 -0.2727 -0.2727 0.6491 0.6491 0.7063 0.7063 1.2867 1.2867 1.8867 1.8867 2.3937 2.3937 2.4689 2.4689 3.8360 3.8360 3.8448 3.8448 13.0382 13.0382 14.9226 14.9226 k = 0.3333 0.5774 0.1542 ( 1425 PWs) bands (ev): -13.1811 -13.1811 -13.1783 -13.1783 -0.3806 -0.3806 -0.3632 -0.3632 -0.2560 -0.2560 0.6544 0.6544 0.7103 0.7103 1.2645 1.2645 1.8869 1.8869 2.3846 2.3846 2.4600 2.4600 3.8583 3.8583 3.8665 3.8665 13.0433 13.0433 14.9284 14.9284 k = 0.3333 0.5774 0.1638 ( 1431 PWs) bands (ev): -13.1808 -13.1808 -13.1781 -13.1781 -0.3908 -0.3908 -0.3741 -0.3741 -0.2385 -0.2385 0.6597 0.6597 0.7142 0.7142 1.2415 1.2415 1.8871 1.8871 2.3756 2.3756 2.4514 2.4514 3.8804 3.8804 3.8882 3.8882 13.0484 13.0484 14.9343 14.9343 k = 0.3333 0.5774 0.1734 ( 1431 PWs) bands (ev): -13.1805 -13.1805 -13.1778 -13.1778 -0.4009 -0.4009 -0.3849 -0.3849 -0.2203 -0.2203 0.6648 0.6648 0.7181 0.7181 1.2179 1.2179 1.8873 1.8873 2.3668 2.3668 2.4430 2.4430 3.9024 3.9024 3.9098 3.9098 13.0536 13.0536 14.9404 14.9404 k = 0.3333 0.5774 0.1831 ( 1431 PWs) bands (ev): -13.1803 -13.1803 -13.1775 -13.1775 -0.4109 -0.4109 -0.3956 -0.3956 -0.2016 -0.2016 0.6698 0.6698 0.7219 0.7219 1.1938 1.1938 1.8876 1.8876 2.3583 2.3583 2.4349 2.4349 3.9241 3.9241 3.9310 3.9310 13.0588 13.0588 14.9465 14.9465 k = 0.3333 0.5774 0.1927 ( 1431 PWs) bands (ev): -13.1800 -13.1800 -13.1773 -13.1773 -0.4207 -0.4207 -0.4060 -0.4060 -0.1824 -0.1824 0.6746 0.6746 0.7255 0.7255 1.1694 1.1694 1.8878 1.8878 2.3502 2.3502 2.4272 2.4272 3.9452 3.9452 3.9518 3.9518 13.0639 13.0639 14.9526 14.9526 k = 0.3333 0.5774 0.2023 ( 1431 PWs) bands (ev): -13.1797 -13.1797 -13.1770 -13.1770 -0.4302 -0.4302 -0.4161 -0.4161 -0.1629 -0.1629 0.6793 0.6793 0.7290 0.7290 1.1448 1.1448 1.8880 1.8880 2.3424 2.3424 2.4198 2.4198 3.9657 3.9657 3.9719 3.9719 13.0690 13.0690 14.9587 14.9587 k = 0.3333 0.5774 0.2120 ( 1407 PWs) bands (ev): -13.1795 -13.1795 -13.1768 -13.1768 -0.4393 -0.4393 -0.4257 -0.4257 -0.1432 -0.1432 0.6839 0.6839 0.7325 0.7325 1.1202 1.1202 1.8885 1.8885 2.3352 2.3352 2.4131 2.4131 3.9856 3.9856 3.9914 3.9914 13.0740 13.0740 14.9647 14.9647 k = 0.3333 0.5774 0.2216 ( 1407 PWs) bands (ev): -13.1792 -13.1792 -13.1765 -13.1765 -0.4481 -0.4481 -0.4350 -0.4350 -0.1236 -0.1236 0.6880 0.6880 0.7357 0.7357 1.0957 1.0957 1.8888 1.8888 2.3283 2.3283 2.4066 2.4066 4.0044 4.0044 4.0098 4.0098 13.0788 13.0788 14.9705 14.9705 k = 0.3333 0.5774 0.2312 ( 1416 PWs) bands (ev): -13.1790 -13.1790 -13.1763 -13.1763 -0.4564 -0.4564 -0.4437 -0.4437 -0.1041 -0.1041 0.6919 0.6919 0.7386 0.7386 1.0717 1.0717 1.8889 1.8889 2.3218 2.3218 2.4004 2.4004 4.0221 4.0221 4.0273 4.0273 13.0834 13.0834 14.9761 14.9761 k = 0.3333 0.5774 0.2409 ( 1416 PWs) bands (ev): -13.1788 -13.1788 -13.1761 -13.1761 -0.4642 -0.4642 -0.4518 -0.4518 -0.0851 -0.0851 0.6955 0.6955 0.7413 0.7413 1.0484 1.0484 1.8891 1.8891 2.3158 2.3158 2.3948 2.3948 4.0387 4.0387 4.0436 4.0436 13.0877 13.0877 14.9814 14.9814 k = 0.3333 0.5774 0.2505 ( 1416 PWs) bands (ev): -13.1786 -13.1786 -13.1759 -13.1759 -0.4714 -0.4714 -0.4593 -0.4593 -0.0666 -0.0666 0.6988 0.6988 0.7438 0.7438 1.0260 1.0260 1.8892 1.8892 2.3103 2.3103 2.3897 2.3897 4.0541 4.0541 4.0587 4.0587 13.0918 13.0918 14.9864 14.9864 k = 0.3333 0.5774 0.2602 ( 1410 PWs) bands (ev): -13.1784 -13.1784 -13.1757 -13.1757 -0.4779 -0.4779 -0.4662 -0.4662 -0.0489 -0.0489 0.7018 0.7018 0.7462 0.7462 1.0047 1.0047 1.8895 1.8895 2.3055 2.3055 2.3852 2.3852 4.0681 4.0681 4.0725 4.0725 13.0956 13.0956 14.9910 14.9910 k = 0.3333 0.5774 0.2698 ( 1404 PWs) bands (ev): -13.1782 -13.1782 -13.1755 -13.1755 -0.4837 -0.4837 -0.4723 -0.4723 -0.0324 -0.0324 0.7046 0.7046 0.7482 0.7482 0.9849 0.9849 1.8896 1.8896 2.3011 2.3011 2.3811 2.3811 4.0807 4.0807 4.0849 4.0849 13.0990 13.0990 14.9952 14.9952 k = 0.3333 0.5774 0.2794 ( 1404 PWs) bands (ev): -13.1781 -13.1781 -13.1754 -13.1754 -0.4889 -0.4889 -0.4776 -0.4776 -0.0172 -0.0172 0.7069 0.7069 0.7500 0.7500 0.9668 0.9668 1.8897 1.8897 2.2973 2.2973 2.3776 2.3776 4.0917 4.0917 4.0957 4.0957 13.1020 13.1020 14.9990 14.9990 k = 0.3333 0.5774 0.2891 ( 1404 PWs) bands (ev): -13.1780 -13.1780 -13.1753 -13.1753 -0.4933 -0.4933 -0.4823 -0.4823 -0.0037 -0.0037 0.7089 0.7089 0.7515 0.7515 0.9509 0.9509 1.8899 1.8899 2.2941 2.2941 2.3746 2.3746 4.1012 4.1012 4.1051 4.1051 13.1046 13.1046 15.0022 15.0022 k = 0.3333 0.5774 0.2987 ( 1410 PWs) bands (ev): -13.1779 -13.1779 -13.1752 -13.1752 -0.4970 -0.4970 -0.4861 -0.4861 0.0078 0.0078 0.7105 0.7105 0.7527 0.7527 0.9373 0.9373 1.8900 1.8900 2.2914 2.2914 2.3721 2.3721 4.1090 4.1090 4.1127 4.1127 13.1067 13.1067 15.0049 15.0049 k = 0.3333 0.5774 0.3083 ( 1410 PWs) bands (ev): -13.1778 -13.1778 -13.1751 -13.1751 -0.4999 -0.4999 -0.4891 -0.4891 0.0171 0.0171 0.7117 0.7117 0.7536 0.7536 0.9264 0.9264 1.8900 1.8900 2.2893 2.2893 2.3701 2.3701 4.1151 4.1151 4.1188 4.1188 13.1085 13.1085 15.0070 15.0070 k = 0.3333 0.5774 0.3180 ( 1416 PWs) bands (ev): -13.1777 -13.1777 -13.1750 -13.1750 -0.5020 -0.5020 -0.4913 -0.4913 0.0240 0.0240 0.7126 0.7126 0.7542 0.7542 0.9183 0.9183 1.8902 1.8902 2.2878 2.2878 2.3687 2.3687 4.1195 4.1195 4.1231 4.1231 13.1097 13.1097 15.0086 15.0086 k = 0.3333 0.5774 0.3276 ( 1416 PWs) bands (ev): -13.1777 -13.1777 -13.1750 -13.1750 -0.5032 -0.5032 -0.4926 -0.4926 0.0282 0.0282 0.7131 0.7131 0.7546 0.7546 0.9135 0.9135 1.8902 1.8902 2.2869 2.2869 2.3679 2.3679 4.1222 4.1222 4.1257 4.1257 13.1104 13.1104 15.0095 15.0095 k = 0.3333 0.5774 0.3372 ( 1410 PWs) bands (ev): -13.1777 -13.1777 -13.1750 -13.1750 -0.5036 -0.5036 -0.4930 -0.4930 0.0296 0.0296 0.7133 0.7133 0.7548 0.7548 0.9118 0.9118 1.8904 1.8904 2.2866 2.2866 2.3676 2.3676 4.1231 4.1231 4.1266 4.1266 13.1107 13.1107 15.0098 15.0098 Writing output data file NiO2.save init_run : 0.27s CPU 0.38s WALL ( 1 calls) electrons : 51.82s CPU 53.16s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 51.81s CPU 53.16s 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 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.02s WALL ( 436 calls) cegterg : 46.98s CPU 47.95s WALL ( 522 calls) Called by sum_band: Called by *egterg: h_psi : 24.26s CPU 24.93s WALL ( 7713 calls) s_psi : 0.78s CPU 0.78s WALL ( 7713 calls) g_psi : 0.05s CPU 0.05s WALL ( 6755 calls) cdiaghg : 21.84s CPU 22.20s WALL ( 7191 calls) cegterg:over : 1.43s CPU 1.42s WALL ( 6755 calls) cegterg:upda : 0.81s CPU 0.98s WALL ( 6755 calls) cegterg:last : 0.50s CPU 0.56s WALL ( 1328 calls) cdiaghg:chol : 1.13s CPU 1.13s WALL ( 7191 calls) cdiaghg:inve : 0.53s CPU 0.48s WALL ( 7191 calls) cdiaghg:para : 1.40s CPU 1.37s WALL ( 14382 calls) Called by h_psi: h_psi:vloc : 22.26s CPU 22.92s WALL ( 7713 calls) h_psi:vnl : 1.98s CPU 1.97s WALL ( 7713 calls) add_vuspsi : 1.09s CPU 1.02s WALL ( 7713 calls) General routines calbec : 0.87s CPU 0.94s WALL ( 7713 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 20.98s CPU 21.64s WALL ( 486920 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.09s WALL ( 872 calls) Parallel routines fft_scatter : 9.22s CPU 9.68s WALL ( 486943 calls) PWSCF : 1m 0.28s CPU 1m12.86s WALL This run was terminated on: 20:56:38 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=