Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:16:18 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: ./Li2NiO2.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 26 26 7 1096 1096 169 Max 27 27 8 1105 1105 180 Sum 955 955 283 39667 39667 6219 bravais-lattice index = 14 lattice parameter (alat) = 5.8204 a.u. unit-cell volume = 280.4744 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.820356 celldm(2)= 1.000000 celldm(3)= 1.642532 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 1.642532 ) 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 0.608816 ) 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 Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 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. # 3 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) Li 3.00 6.94100 Li( 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= 427 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023419 k( 2) = ( 0.0084746 0.0048928 -0.0000000), wk = 0.0023419 k( 3) = ( 0.0169491 0.0097856 -0.0000000), wk = 0.0023419 k( 4) = ( 0.0254237 0.0146784 -0.0000000), wk = 0.0023419 k( 5) = ( 0.0338983 0.0195712 -0.0000000), wk = 0.0023419 k( 6) = ( 0.0423729 0.0244640 -0.0000000), wk = 0.0023419 k( 7) = ( 0.0508475 0.0293568 -0.0000000), wk = 0.0023419 k( 8) = ( 0.0593220 0.0342496 -0.0000000), wk = 0.0023419 k( 9) = ( 0.0677966 0.0391424 -0.0000000), wk = 0.0023419 k( 10) = ( 0.0762712 0.0440352 -0.0000000), wk = 0.0023419 k( 11) = ( 0.0847458 0.0489280 -0.0000000), wk = 0.0023419 k( 12) = ( 0.0932203 0.0538208 -0.0000000), wk = 0.0023419 k( 13) = ( 0.1016949 0.0587136 -0.0000000), wk = 0.0023419 k( 14) = ( 0.1101695 0.0636064 -0.0000000), wk = 0.0023419 k( 15) = ( 0.1186441 0.0684992 -0.0000000), wk = 0.0023419 k( 16) = ( 0.1271186 0.0733920 -0.0000000), wk = 0.0023419 k( 17) = ( 0.1355932 0.0782848 -0.0000000), wk = 0.0023419 k( 18) = ( 0.1440678 0.0831776 -0.0000000), wk = 0.0023419 k( 19) = ( 0.1525424 0.0880704 -0.0000000), wk = 0.0023419 k( 20) = ( 0.1610169 0.0929632 -0.0000000), wk = 0.0023419 k( 21) = ( 0.1694915 0.0978560 -0.0000000), wk = 0.0023419 k( 22) = ( 0.1779661 0.1027488 -0.0000000), wk = 0.0023419 k( 23) = ( 0.1864407 0.1076416 -0.0000000), wk = 0.0023419 k( 24) = ( 0.1949153 0.1125344 -0.0000000), wk = 0.0023419 k( 25) = ( 0.2033898 0.1174272 -0.0000000), wk = 0.0023419 k( 26) = ( 0.2118644 0.1223200 -0.0000000), wk = 0.0023419 k( 27) = ( 0.2203390 0.1272128 -0.0000000), wk = 0.0023419 k( 28) = ( 0.2288136 0.1321056 -0.0000000), wk = 0.0023419 k( 29) = ( 0.2372881 0.1369984 -0.0000000), wk = 0.0023419 k( 30) = ( 0.2457627 0.1418912 -0.0000000), wk = 0.0023419 k( 31) = ( 0.2542373 0.1467840 -0.0000000), wk = 0.0023419 k( 32) = ( 0.2627119 0.1516768 -0.0000000), wk = 0.0023419 k( 33) = ( 0.2711864 0.1565696 -0.0000000), wk = 0.0023419 k( 34) = ( 0.2796610 0.1614624 -0.0000000), wk = 0.0023419 k( 35) = ( 0.2881356 0.1663552 -0.0000000), wk = 0.0023419 k( 36) = ( 0.2966102 0.1712480 -0.0000000), wk = 0.0023419 k( 37) = ( 0.3050848 0.1761408 -0.0000000), wk = 0.0023419 k( 38) = ( 0.3135593 0.1810336 -0.0000000), wk = 0.0023419 k( 39) = ( 0.3220339 0.1859264 -0.0000000), wk = 0.0023419 k( 40) = ( 0.3305085 0.1908192 -0.0000000), wk = 0.0023419 k( 41) = ( 0.3389831 0.1957120 -0.0000000), wk = 0.0023419 k( 42) = ( 0.3474576 0.2006048 -0.0000000), wk = 0.0023419 k( 43) = ( 0.3559322 0.2054976 -0.0000000), wk = 0.0023419 k( 44) = ( 0.3644068 0.2103904 -0.0000000), wk = 0.0023419 k( 45) = ( 0.3728814 0.2152832 -0.0000000), wk = 0.0023419 k( 46) = ( 0.3813559 0.2201759 -0.0000000), wk = 0.0023419 k( 47) = ( 0.3898305 0.2250687 -0.0000000), wk = 0.0023419 k( 48) = ( 0.3983051 0.2299615 -0.0000000), wk = 0.0023419 k( 49) = ( 0.4067797 0.2348543 -0.0000000), wk = 0.0023419 k( 50) = ( 0.4152542 0.2397471 -0.0000000), wk = 0.0023419 k( 51) = ( 0.4237288 0.2446399 -0.0000000), wk = 0.0023419 k( 52) = ( 0.4322034 0.2495327 -0.0000000), wk = 0.0023419 k( 53) = ( 0.4406780 0.2544255 -0.0000000), wk = 0.0023419 k( 54) = ( 0.4491525 0.2593183 -0.0000000), wk = 0.0023419 k( 55) = ( 0.4576271 0.2642111 -0.0000000), wk = 0.0023419 k( 56) = ( 0.4661017 0.2691039 -0.0000000), wk = 0.0023419 k( 57) = ( 0.4745763 0.2739967 -0.0000000), wk = 0.0023419 k( 58) = ( 0.4830508 0.2788895 -0.0000000), wk = 0.0023419 k( 59) = ( 0.4915254 0.2837823 -0.0000000), wk = 0.0023419 k( 60) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0023419 k( 61) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0023419 k( 62) = ( 0.4950980 0.2971656 -0.0000000), wk = 0.0023419 k( 63) = ( 0.4901961 0.3056560 -0.0000000), wk = 0.0023419 k( 64) = ( 0.4852941 0.3141465 -0.0000000), wk = 0.0023419 k( 65) = ( 0.4803922 0.3226369 -0.0000000), wk = 0.0023419 k( 66) = ( 0.4754902 0.3311274 -0.0000000), wk = 0.0023419 k( 67) = ( 0.4705882 0.3396178 -0.0000000), wk = 0.0023419 k( 68) = ( 0.4656863 0.3481082 -0.0000000), wk = 0.0023419 k( 69) = ( 0.4607843 0.3565987 -0.0000000), wk = 0.0023419 k( 70) = ( 0.4558823 0.3650891 -0.0000000), wk = 0.0023419 k( 71) = ( 0.4509804 0.3735796 -0.0000000), wk = 0.0023419 k( 72) = ( 0.4460784 0.3820700 -0.0000000), wk = 0.0023419 k( 73) = ( 0.4411765 0.3905605 -0.0000000), wk = 0.0023419 k( 74) = ( 0.4362745 0.3990509 -0.0000000), wk = 0.0023419 k( 75) = ( 0.4313726 0.4075414 -0.0000000), wk = 0.0023419 k( 76) = ( 0.4264706 0.4160318 -0.0000000), wk = 0.0023419 k( 77) = ( 0.4215686 0.4245223 -0.0000000), wk = 0.0023419 k( 78) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0023419 k( 79) = ( 0.4117647 0.4415032 -0.0000000), wk = 0.0023419 k( 80) = ( 0.4068627 0.4499936 -0.0000000), wk = 0.0023419 k( 81) = ( 0.4019608 0.4584840 -0.0000000), wk = 0.0023419 k( 82) = ( 0.3970588 0.4669745 -0.0000000), wk = 0.0023419 k( 83) = ( 0.3921569 0.4754649 -0.0000000), wk = 0.0023419 k( 84) = ( 0.3872549 0.4839554 -0.0000000), wk = 0.0023419 k( 85) = ( 0.3823529 0.4924458 -0.0000000), wk = 0.0023419 k( 86) = ( 0.3774510 0.5009363 -0.0000000), wk = 0.0023419 k( 87) = ( 0.3725490 0.5094267 -0.0000000), wk = 0.0023419 k( 88) = ( 0.3676471 0.5179172 -0.0000000), wk = 0.0023419 k( 89) = ( 0.3627451 0.5264076 -0.0000000), wk = 0.0023419 k( 90) = ( 0.3578431 0.5348981 -0.0000000), wk = 0.0023419 k( 91) = ( 0.3529412 0.5433885 -0.0000000), wk = 0.0023419 k( 92) = ( 0.3480392 0.5518789 -0.0000000), wk = 0.0023419 k( 93) = ( 0.3431373 0.5603694 -0.0000000), wk = 0.0023419 k( 94) = ( 0.3382353 0.5688598 -0.0000000), wk = 0.0023419 k( 95) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0023419 k( 96) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0023419 k( 97) = ( 0.3284314 0.5688598 -0.0000000), wk = 0.0023419 k( 98) = ( 0.3235294 0.5603694 -0.0000000), wk = 0.0023419 k( 99) = ( 0.3186274 0.5518789 -0.0000000), wk = 0.0023419 k( 100) = ( 0.3137255 0.5433885 -0.0000000), wk = 0.0023419 k( 101) = ( 0.3088235 0.5348980 -0.0000000), wk = 0.0023419 k( 102) = ( 0.3039216 0.5264076 -0.0000000), wk = 0.0023419 k( 103) = ( 0.2990196 0.5179172 -0.0000000), wk = 0.0023419 k( 104) = ( 0.2941177 0.5094267 -0.0000000), wk = 0.0023419 k( 105) = ( 0.2892157 0.5009363 -0.0000000), wk = 0.0023419 k( 106) = ( 0.2843137 0.4924458 -0.0000000), wk = 0.0023419 k( 107) = ( 0.2794118 0.4839554 -0.0000000), wk = 0.0023419 k( 108) = ( 0.2745098 0.4754649 -0.0000000), wk = 0.0023419 k( 109) = ( 0.2696078 0.4669745 -0.0000000), wk = 0.0023419 k( 110) = ( 0.2647059 0.4584840 -0.0000000), wk = 0.0023419 k( 111) = ( 0.2598039 0.4499936 -0.0000000), wk = 0.0023419 k( 112) = ( 0.2549020 0.4415031 -0.0000000), wk = 0.0023419 k( 113) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0023419 k( 114) = ( 0.2450980 0.4245223 -0.0000000), wk = 0.0023419 k( 115) = ( 0.2401961 0.4160318 -0.0000000), wk = 0.0023419 k( 116) = ( 0.2352941 0.4075414 -0.0000000), wk = 0.0023419 k( 117) = ( 0.2303922 0.3990509 -0.0000000), wk = 0.0023419 k( 118) = ( 0.2254902 0.3905605 -0.0000000), wk = 0.0023419 k( 119) = ( 0.2205882 0.3820700 -0.0000000), wk = 0.0023419 k( 120) = ( 0.2156863 0.3735796 -0.0000000), wk = 0.0023419 k( 121) = ( 0.2107843 0.3650891 -0.0000000), wk = 0.0023419 k( 122) = ( 0.2058823 0.3565987 -0.0000000), wk = 0.0023419 k( 123) = ( 0.2009804 0.3481082 -0.0000000), wk = 0.0023419 k( 124) = ( 0.1960784 0.3396178 -0.0000000), wk = 0.0023419 k( 125) = ( 0.1911765 0.3311274 -0.0000000), wk = 0.0023419 k( 126) = ( 0.1862745 0.3226369 -0.0000000), wk = 0.0023419 k( 127) = ( 0.1813725 0.3141465 -0.0000000), wk = 0.0023419 k( 128) = ( 0.1764706 0.3056560 -0.0000000), wk = 0.0023419 k( 129) = ( 0.1715686 0.2971656 -0.0000000), wk = 0.0023419 k( 130) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0023419 k( 131) = ( 0.1617647 0.2801847 -0.0000000), wk = 0.0023419 k( 132) = ( 0.1568627 0.2716943 -0.0000000), wk = 0.0023419 k( 133) = ( 0.1519608 0.2632038 -0.0000000), wk = 0.0023419 k( 134) = ( 0.1470588 0.2547133 -0.0000000), wk = 0.0023419 k( 135) = ( 0.1421569 0.2462229 -0.0000000), wk = 0.0023419 k( 136) = ( 0.1372549 0.2377325 -0.0000000), wk = 0.0023419 k( 137) = ( 0.1323529 0.2292420 -0.0000000), wk = 0.0023419 k( 138) = ( 0.1274510 0.2207516 -0.0000000), wk = 0.0023419 k( 139) = ( 0.1225490 0.2122611 -0.0000000), wk = 0.0023419 k( 140) = ( 0.1176471 0.2037707 -0.0000000), wk = 0.0023419 k( 141) = ( 0.1127451 0.1952802 -0.0000000), wk = 0.0023419 k( 142) = ( 0.1078431 0.1867898 -0.0000000), wk = 0.0023419 k( 143) = ( 0.1029412 0.1782994 -0.0000000), wk = 0.0023419 k( 144) = ( 0.0980392 0.1698089 -0.0000000), wk = 0.0023419 k( 145) = ( 0.0931373 0.1613184 -0.0000000), wk = 0.0023419 k( 146) = ( 0.0882353 0.1528280 -0.0000000), wk = 0.0023419 k( 147) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0023419 k( 148) = ( 0.0784314 0.1358471 -0.0000000), wk = 0.0023419 k( 149) = ( 0.0735294 0.1273567 -0.0000000), wk = 0.0023419 k( 150) = ( 0.0686275 0.1188662 -0.0000000), wk = 0.0023419 k( 151) = ( 0.0637255 0.1103758 -0.0000000), wk = 0.0023419 k( 152) = ( 0.0588235 0.1018853 -0.0000000), wk = 0.0023419 k( 153) = ( 0.0539216 0.0933949 -0.0000000), wk = 0.0023419 k( 154) = ( 0.0490196 0.0849045 -0.0000000), wk = 0.0023419 k( 155) = ( 0.0441177 0.0764140 -0.0000000), wk = 0.0023419 k( 156) = ( 0.0392157 0.0679236 -0.0000000), wk = 0.0023419 k( 157) = ( 0.0343137 0.0594331 -0.0000000), wk = 0.0023419 k( 158) = ( 0.0294118 0.0509427 -0.0000000), wk = 0.0023419 k( 159) = ( 0.0245098 0.0424522 -0.0000000), wk = 0.0023419 k( 160) = ( 0.0196078 0.0339618 -0.0000000), wk = 0.0023419 k( 161) = ( 0.0147059 0.0254713 -0.0000000), wk = 0.0023419 k( 162) = ( 0.0098039 0.0169809 -0.0000000), wk = 0.0023419 k( 163) = ( 0.0049020 0.0084904 -0.0000000), wk = 0.0023419 k( 164) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023419 k( 165) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023419 k( 166) = ( 0.0000000 0.0000000 0.0095127), wk = 0.0023419 k( 167) = ( 0.0000000 0.0000000 0.0190255), wk = 0.0023419 k( 168) = ( 0.0000000 0.0000000 0.0285382), wk = 0.0023419 k( 169) = ( 0.0000000 0.0000000 0.0380510), wk = 0.0023419 k( 170) = ( 0.0000000 0.0000000 0.0475637), wk = 0.0023419 k( 171) = ( 0.0000000 0.0000000 0.0570765), wk = 0.0023419 k( 172) = ( 0.0000000 0.0000000 0.0665892), wk = 0.0023419 k( 173) = ( 0.0000000 0.0000000 0.0761020), wk = 0.0023419 k( 174) = ( 0.0000000 0.0000000 0.0856147), wk = 0.0023419 k( 175) = ( 0.0000000 0.0000000 0.0951275), wk = 0.0023419 k( 176) = ( 0.0000000 0.0000000 0.1046402), wk = 0.0023419 k( 177) = ( 0.0000000 0.0000000 0.1141530), wk = 0.0023419 k( 178) = ( 0.0000000 0.0000000 0.1236657), wk = 0.0023419 k( 179) = ( 0.0000000 0.0000000 0.1331785), wk = 0.0023419 k( 180) = ( 0.0000000 0.0000000 0.1426912), wk = 0.0023419 k( 181) = ( 0.0000000 0.0000000 0.1522040), wk = 0.0023419 k( 182) = ( 0.0000000 0.0000000 0.1617167), wk = 0.0023419 k( 183) = ( 0.0000000 0.0000000 0.1712295), wk = 0.0023419 k( 184) = ( 0.0000000 0.0000000 0.1807422), wk = 0.0023419 k( 185) = ( 0.0000000 0.0000000 0.1902550), wk = 0.0023419 k( 186) = ( 0.0000000 0.0000000 0.1997677), wk = 0.0023419 k( 187) = ( 0.0000000 0.0000000 0.2092805), wk = 0.0023419 k( 188) = ( 0.0000000 0.0000000 0.2187932), wk = 0.0023419 k( 189) = ( 0.0000000 0.0000000 0.2283060), wk = 0.0023419 k( 190) = ( 0.0000000 0.0000000 0.2378187), wk = 0.0023419 k( 191) = ( 0.0000000 0.0000000 0.2473315), wk = 0.0023419 k( 192) = ( 0.0000000 0.0000000 0.2568442), wk = 0.0023419 k( 193) = ( 0.0000000 0.0000000 0.2663570), wk = 0.0023419 k( 194) = ( 0.0000000 0.0000000 0.2758697), wk = 0.0023419 k( 195) = ( 0.0000000 0.0000000 0.2853825), wk = 0.0023419 k( 196) = ( 0.0000000 0.0000000 0.2948952), wk = 0.0023419 k( 197) = ( 0.0000000 0.0000000 0.3044080), wk = 0.0023419 k( 198) = ( 0.0000000 0.0000000 0.3044080), wk = 0.0023419 k( 199) = ( 0.0084746 0.0048928 0.3044080), wk = 0.0023419 k( 200) = ( 0.0169491 0.0097856 0.3044080), wk = 0.0023419 k( 201) = ( 0.0254237 0.0146784 0.3044080), wk = 0.0023419 k( 202) = ( 0.0338983 0.0195712 0.3044080), wk = 0.0023419 k( 203) = ( 0.0423729 0.0244640 0.3044080), wk = 0.0023419 k( 204) = ( 0.0508475 0.0293568 0.3044080), wk = 0.0023419 k( 205) = ( 0.0593220 0.0342496 0.3044080), wk = 0.0023419 k( 206) = ( 0.0677966 0.0391424 0.3044080), wk = 0.0023419 k( 207) = ( 0.0762712 0.0440352 0.3044080), wk = 0.0023419 k( 208) = ( 0.0847458 0.0489280 0.3044080), wk = 0.0023419 k( 209) = ( 0.0932203 0.0538208 0.3044080), wk = 0.0023419 k( 210) = ( 0.1016949 0.0587136 0.3044080), wk = 0.0023419 k( 211) = ( 0.1101695 0.0636064 0.3044080), wk = 0.0023419 k( 212) = ( 0.1186441 0.0684992 0.3044080), wk = 0.0023419 k( 213) = ( 0.1271186 0.0733920 0.3044080), wk = 0.0023419 k( 214) = ( 0.1355932 0.0782848 0.3044080), wk = 0.0023419 k( 215) = ( 0.1440678 0.0831776 0.3044080), wk = 0.0023419 k( 216) = ( 0.1525424 0.0880704 0.3044080), wk = 0.0023419 k( 217) = ( 0.1610169 0.0929632 0.3044080), wk = 0.0023419 k( 218) = ( 0.1694915 0.0978560 0.3044080), wk = 0.0023419 k( 219) = ( 0.1779661 0.1027488 0.3044080), wk = 0.0023419 k( 220) = ( 0.1864407 0.1076416 0.3044080), wk = 0.0023419 k( 221) = ( 0.1949153 0.1125344 0.3044080), wk = 0.0023419 k( 222) = ( 0.2033898 0.1174272 0.3044080), wk = 0.0023419 k( 223) = ( 0.2118644 0.1223200 0.3044080), wk = 0.0023419 k( 224) = ( 0.2203390 0.1272128 0.3044080), wk = 0.0023419 k( 225) = ( 0.2288136 0.1321056 0.3044080), wk = 0.0023419 k( 226) = ( 0.2372881 0.1369984 0.3044080), wk = 0.0023419 k( 227) = ( 0.2457627 0.1418912 0.3044080), wk = 0.0023419 k( 228) = ( 0.2542373 0.1467840 0.3044080), wk = 0.0023419 k( 229) = ( 0.2627119 0.1516768 0.3044080), wk = 0.0023419 k( 230) = ( 0.2711864 0.1565696 0.3044080), wk = 0.0023419 k( 231) = ( 0.2796610 0.1614624 0.3044080), wk = 0.0023419 k( 232) = ( 0.2881356 0.1663552 0.3044080), wk = 0.0023419 k( 233) = ( 0.2966102 0.1712480 0.3044080), wk = 0.0023419 k( 234) = ( 0.3050848 0.1761408 0.3044080), wk = 0.0023419 k( 235) = ( 0.3135593 0.1810336 0.3044080), wk = 0.0023419 k( 236) = ( 0.3220339 0.1859264 0.3044080), wk = 0.0023419 k( 237) = ( 0.3305085 0.1908192 0.3044080), wk = 0.0023419 k( 238) = ( 0.3389831 0.1957120 0.3044080), wk = 0.0023419 k( 239) = ( 0.3474576 0.2006048 0.3044080), wk = 0.0023419 k( 240) = ( 0.3559322 0.2054976 0.3044080), wk = 0.0023419 k( 241) = ( 0.3644068 0.2103904 0.3044080), wk = 0.0023419 k( 242) = ( 0.3728814 0.2152832 0.3044080), wk = 0.0023419 k( 243) = ( 0.3813559 0.2201759 0.3044080), wk = 0.0023419 k( 244) = ( 0.3898305 0.2250687 0.3044080), wk = 0.0023419 k( 245) = ( 0.3983051 0.2299615 0.3044080), wk = 0.0023419 k( 246) = ( 0.4067797 0.2348543 0.3044080), wk = 0.0023419 k( 247) = ( 0.4152542 0.2397471 0.3044080), wk = 0.0023419 k( 248) = ( 0.4237288 0.2446399 0.3044080), wk = 0.0023419 k( 249) = ( 0.4322034 0.2495327 0.3044080), wk = 0.0023419 k( 250) = ( 0.4406780 0.2544255 0.3044080), wk = 0.0023419 k( 251) = ( 0.4491525 0.2593183 0.3044080), wk = 0.0023419 k( 252) = ( 0.4576271 0.2642111 0.3044080), wk = 0.0023419 k( 253) = ( 0.4661017 0.2691039 0.3044080), wk = 0.0023419 k( 254) = ( 0.4745763 0.2739967 0.3044080), wk = 0.0023419 k( 255) = ( 0.4830508 0.2788895 0.3044080), wk = 0.0023419 k( 256) = ( 0.4915254 0.2837823 0.3044080), wk = 0.0023419 k( 257) = ( 0.5000000 0.2886751 0.3044080), wk = 0.0023419 k( 258) = ( 0.5000000 0.2886751 0.3044080), wk = 0.0023419 k( 259) = ( 0.4950980 0.2971656 0.3044080), wk = 0.0023419 k( 260) = ( 0.4901961 0.3056560 0.3044080), wk = 0.0023419 k( 261) = ( 0.4852941 0.3141465 0.3044080), wk = 0.0023419 k( 262) = ( 0.4803922 0.3226369 0.3044080), wk = 0.0023419 k( 263) = ( 0.4754902 0.3311274 0.3044080), wk = 0.0023419 k( 264) = ( 0.4705882 0.3396178 0.3044080), wk = 0.0023419 k( 265) = ( 0.4656863 0.3481082 0.3044080), wk = 0.0023419 k( 266) = ( 0.4607843 0.3565987 0.3044080), wk = 0.0023419 k( 267) = ( 0.4558823 0.3650891 0.3044080), wk = 0.0023419 k( 268) = ( 0.4509804 0.3735796 0.3044080), wk = 0.0023419 k( 269) = ( 0.4460784 0.3820700 0.3044080), wk = 0.0023419 k( 270) = ( 0.4411765 0.3905605 0.3044080), wk = 0.0023419 k( 271) = ( 0.4362745 0.3990509 0.3044080), wk = 0.0023419 k( 272) = ( 0.4313726 0.4075414 0.3044080), wk = 0.0023419 k( 273) = ( 0.4264706 0.4160318 0.3044080), wk = 0.0023419 k( 274) = ( 0.4215686 0.4245223 0.3044080), wk = 0.0023419 k( 275) = ( 0.4166667 0.4330127 0.3044080), wk = 0.0023419 k( 276) = ( 0.4117647 0.4415032 0.3044080), wk = 0.0023419 k( 277) = ( 0.4068627 0.4499936 0.3044080), wk = 0.0023419 k( 278) = ( 0.4019608 0.4584840 0.3044080), wk = 0.0023419 k( 279) = ( 0.3970588 0.4669745 0.3044080), wk = 0.0023419 k( 280) = ( 0.3921569 0.4754649 0.3044080), wk = 0.0023419 k( 281) = ( 0.3872549 0.4839554 0.3044080), wk = 0.0023419 k( 282) = ( 0.3823529 0.4924458 0.3044080), wk = 0.0023419 k( 283) = ( 0.3774510 0.5009363 0.3044080), wk = 0.0023419 k( 284) = ( 0.3725490 0.5094267 0.3044080), wk = 0.0023419 k( 285) = ( 0.3676471 0.5179172 0.3044080), wk = 0.0023419 k( 286) = ( 0.3627451 0.5264076 0.3044080), wk = 0.0023419 k( 287) = ( 0.3578431 0.5348981 0.3044080), wk = 0.0023419 k( 288) = ( 0.3529412 0.5433885 0.3044080), wk = 0.0023419 k( 289) = ( 0.3480392 0.5518789 0.3044080), wk = 0.0023419 k( 290) = ( 0.3431373 0.5603694 0.3044080), wk = 0.0023419 k( 291) = ( 0.3382353 0.5688598 0.3044080), wk = 0.0023419 k( 292) = ( 0.3333333 0.5773503 0.3044080), wk = 0.0023419 k( 293) = ( 0.3333333 0.5773503 0.3044080), wk = 0.0023419 k( 294) = ( 0.3284314 0.5688598 0.3044080), wk = 0.0023419 k( 295) = ( 0.3235294 0.5603694 0.3044080), wk = 0.0023419 k( 296) = ( 0.3186274 0.5518789 0.3044080), wk = 0.0023419 k( 297) = ( 0.3137255 0.5433885 0.3044080), wk = 0.0023419 k( 298) = ( 0.3088235 0.5348980 0.3044080), wk = 0.0023419 k( 299) = ( 0.3039216 0.5264076 0.3044080), wk = 0.0023419 k( 300) = ( 0.2990196 0.5179172 0.3044080), wk = 0.0023419 k( 301) = ( 0.2941177 0.5094267 0.3044080), wk = 0.0023419 k( 302) = ( 0.2892157 0.5009363 0.3044080), wk = 0.0023419 k( 303) = ( 0.2843137 0.4924458 0.3044080), wk = 0.0023419 k( 304) = ( 0.2794118 0.4839554 0.3044080), wk = 0.0023419 k( 305) = ( 0.2745098 0.4754649 0.3044080), wk = 0.0023419 k( 306) = ( 0.2696078 0.4669745 0.3044080), wk = 0.0023419 k( 307) = ( 0.2647059 0.4584840 0.3044080), wk = 0.0023419 k( 308) = ( 0.2598039 0.4499936 0.3044080), wk = 0.0023419 k( 309) = ( 0.2549020 0.4415031 0.3044080), wk = 0.0023419 k( 310) = ( 0.2500000 0.4330127 0.3044080), wk = 0.0023419 k( 311) = ( 0.2450980 0.4245223 0.3044080), wk = 0.0023419 k( 312) = ( 0.2401961 0.4160318 0.3044080), wk = 0.0023419 k( 313) = ( 0.2352941 0.4075414 0.3044080), wk = 0.0023419 k( 314) = ( 0.2303922 0.3990509 0.3044080), wk = 0.0023419 k( 315) = ( 0.2254902 0.3905605 0.3044080), wk = 0.0023419 k( 316) = ( 0.2205882 0.3820700 0.3044080), wk = 0.0023419 k( 317) = ( 0.2156863 0.3735796 0.3044080), wk = 0.0023419 k( 318) = ( 0.2107843 0.3650891 0.3044080), wk = 0.0023419 k( 319) = ( 0.2058823 0.3565987 0.3044080), wk = 0.0023419 k( 320) = ( 0.2009804 0.3481082 0.3044080), wk = 0.0023419 k( 321) = ( 0.1960784 0.3396178 0.3044080), wk = 0.0023419 k( 322) = ( 0.1911765 0.3311274 0.3044080), wk = 0.0023419 k( 323) = ( 0.1862745 0.3226369 0.3044080), wk = 0.0023419 k( 324) = ( 0.1813725 0.3141465 0.3044080), wk = 0.0023419 k( 325) = ( 0.1764706 0.3056560 0.3044080), wk = 0.0023419 k( 326) = ( 0.1715686 0.2971656 0.3044080), wk = 0.0023419 k( 327) = ( 0.1666667 0.2886751 0.3044080), wk = 0.0023419 k( 328) = ( 0.1617647 0.2801847 0.3044080), wk = 0.0023419 k( 329) = ( 0.1568627 0.2716943 0.3044080), wk = 0.0023419 k( 330) = ( 0.1519608 0.2632038 0.3044080), wk = 0.0023419 k( 331) = ( 0.1470588 0.2547133 0.3044080), wk = 0.0023419 k( 332) = ( 0.1421569 0.2462229 0.3044080), wk = 0.0023419 k( 333) = ( 0.1372549 0.2377325 0.3044080), wk = 0.0023419 k( 334) = ( 0.1323529 0.2292420 0.3044080), wk = 0.0023419 k( 335) = ( 0.1274510 0.2207516 0.3044080), wk = 0.0023419 k( 336) = ( 0.1225490 0.2122611 0.3044080), wk = 0.0023419 k( 337) = ( 0.1176471 0.2037707 0.3044080), wk = 0.0023419 k( 338) = ( 0.1127451 0.1952802 0.3044080), wk = 0.0023419 k( 339) = ( 0.1078431 0.1867898 0.3044080), wk = 0.0023419 k( 340) = ( 0.1029412 0.1782994 0.3044080), wk = 0.0023419 k( 341) = ( 0.0980392 0.1698089 0.3044080), wk = 0.0023419 k( 342) = ( 0.0931373 0.1613184 0.3044080), wk = 0.0023419 k( 343) = ( 0.0882353 0.1528280 0.3044080), wk = 0.0023419 k( 344) = ( 0.0833333 0.1443376 0.3044080), wk = 0.0023419 k( 345) = ( 0.0784314 0.1358471 0.3044080), wk = 0.0023419 k( 346) = ( 0.0735294 0.1273567 0.3044080), wk = 0.0023419 k( 347) = ( 0.0686275 0.1188662 0.3044080), wk = 0.0023419 k( 348) = ( 0.0637255 0.1103758 0.3044080), wk = 0.0023419 k( 349) = ( 0.0588235 0.1018853 0.3044080), wk = 0.0023419 k( 350) = ( 0.0539216 0.0933949 0.3044080), wk = 0.0023419 k( 351) = ( 0.0490196 0.0849045 0.3044080), wk = 0.0023419 k( 352) = ( 0.0441177 0.0764140 0.3044080), wk = 0.0023419 k( 353) = ( 0.0392157 0.0679236 0.3044080), wk = 0.0023419 k( 354) = ( 0.0343137 0.0594331 0.3044080), wk = 0.0023419 k( 355) = ( 0.0294118 0.0509427 0.3044080), wk = 0.0023419 k( 356) = ( 0.0245098 0.0424522 0.3044080), wk = 0.0023419 k( 357) = ( 0.0196078 0.0339618 0.3044080), wk = 0.0023419 k( 358) = ( 0.0147059 0.0254713 0.3044080), wk = 0.0023419 k( 359) = ( 0.0098039 0.0169809 0.3044080), wk = 0.0023419 k( 360) = ( 0.0049020 0.0084904 0.3044080), wk = 0.0023419 k( 361) = ( 0.0000000 0.0000000 0.3044080), wk = 0.0023419 k( 362) = ( 0.5000000 0.2886751 0.3044080), wk = 0.0023419 k( 363) = ( 0.5000000 0.2886751 0.2948952), wk = 0.0023419 k( 364) = ( 0.5000000 0.2886751 0.2853825), wk = 0.0023419 k( 365) = ( 0.5000000 0.2886751 0.2758697), wk = 0.0023419 k( 366) = ( 0.5000000 0.2886751 0.2663570), wk = 0.0023419 k( 367) = ( 0.5000000 0.2886751 0.2568442), wk = 0.0023419 k( 368) = ( 0.5000000 0.2886751 0.2473315), wk = 0.0023419 k( 369) = ( 0.5000000 0.2886751 0.2378187), wk = 0.0023419 k( 370) = ( 0.5000000 0.2886751 0.2283060), wk = 0.0023419 k( 371) = ( 0.5000000 0.2886751 0.2187932), wk = 0.0023419 k( 372) = ( 0.5000000 0.2886751 0.2092805), wk = 0.0023419 k( 373) = ( 0.5000000 0.2886751 0.1997677), wk = 0.0023419 k( 374) = ( 0.5000000 0.2886751 0.1902550), wk = 0.0023419 k( 375) = ( 0.5000000 0.2886751 0.1807422), wk = 0.0023419 k( 376) = ( 0.5000000 0.2886751 0.1712295), wk = 0.0023419 k( 377) = ( 0.5000000 0.2886751 0.1617167), wk = 0.0023419 k( 378) = ( 0.5000000 0.2886751 0.1522040), wk = 0.0023419 k( 379) = ( 0.5000000 0.2886751 0.1426912), wk = 0.0023419 k( 380) = ( 0.5000000 0.2886751 0.1331785), wk = 0.0023419 k( 381) = ( 0.5000000 0.2886751 0.1236657), wk = 0.0023419 k( 382) = ( 0.5000000 0.2886751 0.1141530), wk = 0.0023419 k( 383) = ( 0.5000000 0.2886751 0.1046402), wk = 0.0023419 k( 384) = ( 0.5000000 0.2886751 0.0951275), wk = 0.0023419 k( 385) = ( 0.5000000 0.2886751 0.0856147), wk = 0.0023419 k( 386) = ( 0.5000000 0.2886751 0.0761020), wk = 0.0023419 k( 387) = ( 0.5000000 0.2886751 0.0665892), wk = 0.0023419 k( 388) = ( 0.5000000 0.2886751 0.0570765), wk = 0.0023419 k( 389) = ( 0.5000000 0.2886751 0.0475637), wk = 0.0023419 k( 390) = ( 0.5000000 0.2886751 0.0380510), wk = 0.0023419 k( 391) = ( 0.5000000 0.2886751 0.0285382), wk = 0.0023419 k( 392) = ( 0.5000000 0.2886751 0.0190255), wk = 0.0023419 k( 393) = ( 0.5000000 0.2886751 0.0095127), wk = 0.0023419 k( 394) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0023419 k( 395) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0023419 k( 396) = ( 0.3333333 0.5773503 0.0095127), wk = 0.0023419 k( 397) = ( 0.3333333 0.5773503 0.0190255), wk = 0.0023419 k( 398) = ( 0.3333333 0.5773503 0.0285382), wk = 0.0023419 k( 399) = ( 0.3333333 0.5773503 0.0380510), wk = 0.0023419 k( 400) = ( 0.3333333 0.5773503 0.0475637), wk = 0.0023419 k( 401) = ( 0.3333333 0.5773503 0.0570765), wk = 0.0023419 k( 402) = ( 0.3333333 0.5773503 0.0665892), wk = 0.0023419 k( 403) = ( 0.3333333 0.5773503 0.0761020), wk = 0.0023419 k( 404) = ( 0.3333333 0.5773503 0.0856147), wk = 0.0023419 k( 405) = ( 0.3333333 0.5773503 0.0951275), wk = 0.0023419 k( 406) = ( 0.3333333 0.5773503 0.1046402), wk = 0.0023419 k( 407) = ( 0.3333333 0.5773503 0.1141530), wk = 0.0023419 k( 408) = ( 0.3333333 0.5773503 0.1236657), wk = 0.0023419 k( 409) = ( 0.3333333 0.5773503 0.1331785), wk = 0.0023419 k( 410) = ( 0.3333333 0.5773503 0.1426912), wk = 0.0023419 k( 411) = ( 0.3333333 0.5773503 0.1522040), wk = 0.0023419 k( 412) = ( 0.3333333 0.5773503 0.1617167), wk = 0.0023419 k( 413) = ( 0.3333333 0.5773503 0.1712295), wk = 0.0023419 k( 414) = ( 0.3333333 0.5773503 0.1807422), wk = 0.0023419 k( 415) = ( 0.3333333 0.5773503 0.1902550), wk = 0.0023419 k( 416) = ( 0.3333333 0.5773503 0.1997677), wk = 0.0023419 k( 417) = ( 0.3333333 0.5773503 0.2092805), wk = 0.0023419 k( 418) = ( 0.3333333 0.5773503 0.2187932), wk = 0.0023419 k( 419) = ( 0.3333333 0.5773503 0.2283060), wk = 0.0023419 k( 420) = ( 0.3333333 0.5773503 0.2378187), wk = 0.0023419 k( 421) = ( 0.3333333 0.5773503 0.2473315), wk = 0.0023419 k( 422) = ( 0.3333333 0.5773503 0.2568442), wk = 0.0023419 k( 423) = ( 0.3333333 0.5773503 0.2663570), wk = 0.0023419 k( 424) = ( 0.3333333 0.5773503 0.2758697), wk = 0.0023419 k( 425) = ( 0.3333333 0.5773503 0.2853825), wk = 0.0023419 k( 426) = ( 0.3333333 0.5773503 0.2948952), wk = 0.0023419 k( 427) = ( 0.3333333 0.5773503 0.3044080), wk = 0.0023419 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023419 k( 2) = ( 0.0084746 -0.0000000 -0.0000000), wk = 0.0023419 k( 3) = ( 0.0169491 -0.0000000 -0.0000000), wk = 0.0023419 k( 4) = ( 0.0254237 -0.0000000 -0.0000000), wk = 0.0023419 k( 5) = ( 0.0338983 -0.0000000 -0.0000000), wk = 0.0023419 k( 6) = ( 0.0423729 -0.0000000 0.0000000), wk = 0.0023419 k( 7) = ( 0.0508475 -0.0000000 -0.0000000), wk = 0.0023419 k( 8) = ( 0.0593220 -0.0000000 -0.0000000), wk = 0.0023419 k( 9) = ( 0.0677966 -0.0000000 -0.0000000), wk = 0.0023419 k( 10) = ( 0.0762712 -0.0000000 -0.0000000), wk = 0.0023419 k( 11) = ( 0.0847458 -0.0000000 0.0000000), wk = 0.0023419 k( 12) = ( 0.0932203 -0.0000000 -0.0000000), wk = 0.0023419 k( 13) = ( 0.1016949 -0.0000000 -0.0000000), wk = 0.0023419 k( 14) = ( 0.1101695 -0.0000000 -0.0000000), wk = 0.0023419 k( 15) = ( 0.1186441 -0.0000000 -0.0000000), wk = 0.0023419 k( 16) = ( 0.1271186 -0.0000000 -0.0000000), wk = 0.0023419 k( 17) = ( 0.1355932 -0.0000000 -0.0000000), wk = 0.0023419 k( 18) = ( 0.1440678 -0.0000000 -0.0000000), wk = 0.0023419 k( 19) = ( 0.1525424 -0.0000000 -0.0000000), wk = 0.0023419 k( 20) = ( 0.1610169 -0.0000000 -0.0000000), wk = 0.0023419 k( 21) = ( 0.1694915 -0.0000000 -0.0000000), wk = 0.0023419 k( 22) = ( 0.1779661 -0.0000000 -0.0000000), wk = 0.0023419 k( 23) = ( 0.1864407 -0.0000000 -0.0000000), wk = 0.0023419 k( 24) = ( 0.1949153 -0.0000000 -0.0000000), wk = 0.0023419 k( 25) = ( 0.2033898 -0.0000000 -0.0000000), wk = 0.0023419 k( 26) = ( 0.2118644 -0.0000000 -0.0000000), wk = 0.0023419 k( 27) = ( 0.2203390 -0.0000000 -0.0000000), wk = 0.0023419 k( 28) = ( 0.2288136 -0.0000000 -0.0000000), wk = 0.0023419 k( 29) = ( 0.2372881 -0.0000000 -0.0000000), wk = 0.0023419 k( 30) = ( 0.2457627 -0.0000000 -0.0000000), wk = 0.0023419 k( 31) = ( 0.2542373 -0.0000000 -0.0000000), wk = 0.0023419 k( 32) = ( 0.2627119 -0.0000000 -0.0000000), wk = 0.0023419 k( 33) = ( 0.2711864 -0.0000000 -0.0000000), wk = 0.0023419 k( 34) = ( 0.2796610 -0.0000000 -0.0000000), wk = 0.0023419 k( 35) = ( 0.2881356 -0.0000000 0.0000000), wk = 0.0023419 k( 36) = ( 0.2966102 -0.0000000 -0.0000000), wk = 0.0023419 k( 37) = ( 0.3050848 -0.0000000 -0.0000000), wk = 0.0023419 k( 38) = ( 0.3135593 -0.0000000 -0.0000000), wk = 0.0023419 k( 39) = ( 0.3220339 -0.0000000 -0.0000000), wk = 0.0023419 k( 40) = ( 0.3305085 -0.0000000 -0.0000000), wk = 0.0023419 k( 41) = ( 0.3389831 -0.0000000 -0.0000000), wk = 0.0023419 k( 42) = ( 0.3474576 -0.0000000 -0.0000000), wk = 0.0023419 k( 43) = ( 0.3559322 -0.0000000 -0.0000000), wk = 0.0023419 k( 44) = ( 0.3644068 -0.0000000 -0.0000000), wk = 0.0023419 k( 45) = ( 0.3728814 -0.0000000 -0.0000000), wk = 0.0023419 k( 46) = ( 0.3813559 -0.0000000 -0.0000000), wk = 0.0023419 k( 47) = ( 0.3898305 -0.0000000 -0.0000000), wk = 0.0023419 k( 48) = ( 0.3983051 -0.0000000 -0.0000000), wk = 0.0023419 k( 49) = ( 0.4067797 -0.0000000 -0.0000000), wk = 0.0023419 k( 50) = ( 0.4152542 -0.0000000 -0.0000000), wk = 0.0023419 k( 51) = ( 0.4237288 -0.0000000 -0.0000000), wk = 0.0023419 k( 52) = ( 0.4322034 -0.0000000 -0.0000000), wk = 0.0023419 k( 53) = ( 0.4406780 -0.0000000 -0.0000000), wk = 0.0023419 k( 54) = ( 0.4491525 -0.0000000 -0.0000000), wk = 0.0023419 k( 55) = ( 0.4576271 -0.0000000 -0.0000000), wk = 0.0023419 k( 56) = ( 0.4661017 -0.0000000 -0.0000000), wk = 0.0023419 k( 57) = ( 0.4745763 -0.0000000 -0.0000000), wk = 0.0023419 k( 58) = ( 0.4830508 0.0000000 -0.0000000), wk = 0.0023419 k( 59) = ( 0.4915254 -0.0000000 -0.0000000), wk = 0.0023419 k( 60) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023419 k( 61) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023419 k( 62) = ( 0.4950980 0.0098039 -0.0000000), wk = 0.0023419 k( 63) = ( 0.4901961 0.0196078 -0.0000000), wk = 0.0023419 k( 64) = ( 0.4852941 0.0294118 -0.0000000), wk = 0.0023419 k( 65) = ( 0.4803922 0.0392157 -0.0000000), wk = 0.0023419 k( 66) = ( 0.4754902 0.0490196 -0.0000000), wk = 0.0023419 k( 67) = ( 0.4705882 0.0588235 -0.0000000), wk = 0.0023419 k( 68) = ( 0.4656863 0.0686274 -0.0000000), wk = 0.0023419 k( 69) = ( 0.4607843 0.0784314 -0.0000000), wk = 0.0023419 k( 70) = ( 0.4558823 0.0882353 -0.0000000), wk = 0.0023419 k( 71) = ( 0.4509804 0.0980392 -0.0000000), wk = 0.0023419 k( 72) = ( 0.4460784 0.1078431 -0.0000000), wk = 0.0023419 k( 73) = ( 0.4411765 0.1176471 -0.0000000), wk = 0.0023419 k( 74) = ( 0.4362745 0.1274510 -0.0000000), wk = 0.0023419 k( 75) = ( 0.4313726 0.1372549 -0.0000000), wk = 0.0023419 k( 76) = ( 0.4264706 0.1470588 -0.0000000), wk = 0.0023419 k( 77) = ( 0.4215686 0.1568627 -0.0000000), wk = 0.0023419 k( 78) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0023419 k( 79) = ( 0.4117647 0.1764706 -0.0000000), wk = 0.0023419 k( 80) = ( 0.4068627 0.1862745 -0.0000000), wk = 0.0023419 k( 81) = ( 0.4019608 0.1960784 -0.0000000), wk = 0.0023419 k( 82) = ( 0.3970588 0.2058823 -0.0000000), wk = 0.0023419 k( 83) = ( 0.3921569 0.2156863 -0.0000000), wk = 0.0023419 k( 84) = ( 0.3872549 0.2254902 -0.0000000), wk = 0.0023419 k( 85) = ( 0.3823529 0.2352941 -0.0000000), wk = 0.0023419 k( 86) = ( 0.3774510 0.2450980 -0.0000000), wk = 0.0023419 k( 87) = ( 0.3725490 0.2549020 -0.0000000), wk = 0.0023419 k( 88) = ( 0.3676471 0.2647059 -0.0000000), wk = 0.0023419 k( 89) = ( 0.3627451 0.2745098 0.0000000), wk = 0.0023419 k( 90) = ( 0.3578431 0.2843137 -0.0000000), wk = 0.0023419 k( 91) = ( 0.3529412 0.2941177 -0.0000000), wk = 0.0023419 k( 92) = ( 0.3480392 0.3039216 -0.0000000), wk = 0.0023419 k( 93) = ( 0.3431373 0.3137255 -0.0000000), wk = 0.0023419 k( 94) = ( 0.3382353 0.3235294 -0.0000000), wk = 0.0023419 k( 95) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0023419 k( 96) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0023419 k( 97) = ( 0.3284314 0.3284314 -0.0000000), wk = 0.0023419 k( 98) = ( 0.3235294 0.3235294 -0.0000000), wk = 0.0023419 k( 99) = ( 0.3186274 0.3186274 -0.0000000), wk = 0.0023419 k( 100) = ( 0.3137255 0.3137255 -0.0000000), wk = 0.0023419 k( 101) = ( 0.3088235 0.3088235 -0.0000000), wk = 0.0023419 k( 102) = ( 0.3039216 0.3039216 0.0000000), wk = 0.0023419 k( 103) = ( 0.2990196 0.2990196 -0.0000000), wk = 0.0023419 k( 104) = ( 0.2941177 0.2941177 0.0000000), wk = 0.0023419 k( 105) = ( 0.2892157 0.2892157 -0.0000000), wk = 0.0023419 k( 106) = ( 0.2843137 0.2843137 -0.0000000), wk = 0.0023419 k( 107) = ( 0.2794118 0.2794118 -0.0000000), wk = 0.0023419 k( 108) = ( 0.2745098 0.2745098 -0.0000000), wk = 0.0023419 k( 109) = ( 0.2696078 0.2696078 -0.0000000), wk = 0.0023419 k( 110) = ( 0.2647059 0.2647059 -0.0000000), wk = 0.0023419 k( 111) = ( 0.2598039 0.2598039 -0.0000000), wk = 0.0023419 k( 112) = ( 0.2549020 0.2549020 -0.0000000), wk = 0.0023419 k( 113) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0023419 k( 114) = ( 0.2450980 0.2450980 -0.0000000), wk = 0.0023419 k( 115) = ( 0.2401961 0.2401961 -0.0000000), wk = 0.0023419 k( 116) = ( 0.2352941 0.2352941 0.0000000), wk = 0.0023419 k( 117) = ( 0.2303922 0.2303922 -0.0000000), wk = 0.0023419 k( 118) = ( 0.2254902 0.2254902 -0.0000000), wk = 0.0023419 k( 119) = ( 0.2205882 0.2205882 -0.0000000), wk = 0.0023419 k( 120) = ( 0.2156863 0.2156863 0.0000000), wk = 0.0023419 k( 121) = ( 0.2107843 0.2107843 -0.0000000), wk = 0.0023419 k( 122) = ( 0.2058823 0.2058823 -0.0000000), wk = 0.0023419 k( 123) = ( 0.2009804 0.2009804 -0.0000000), wk = 0.0023419 k( 124) = ( 0.1960784 0.1960784 -0.0000000), wk = 0.0023419 k( 125) = ( 0.1911765 0.1911765 -0.0000000), wk = 0.0023419 k( 126) = ( 0.1862745 0.1862745 -0.0000000), wk = 0.0023419 k( 127) = ( 0.1813725 0.1813725 -0.0000000), wk = 0.0023419 k( 128) = ( 0.1764706 0.1764706 -0.0000000), wk = 0.0023419 k( 129) = ( 0.1715686 0.1715686 -0.0000000), wk = 0.0023419 k( 130) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0023419 k( 131) = ( 0.1617647 0.1617647 -0.0000000), wk = 0.0023419 k( 132) = ( 0.1568627 0.1568627 -0.0000000), wk = 0.0023419 k( 133) = ( 0.1519608 0.1519608 -0.0000000), wk = 0.0023419 k( 134) = ( 0.1470588 0.1470588 -0.0000000), wk = 0.0023419 k( 135) = ( 0.1421569 0.1421569 -0.0000000), wk = 0.0023419 k( 136) = ( 0.1372549 0.1372549 -0.0000000), wk = 0.0023419 k( 137) = ( 0.1323529 0.1323529 -0.0000000), wk = 0.0023419 k( 138) = ( 0.1274510 0.1274510 -0.0000000), wk = 0.0023419 k( 139) = ( 0.1225490 0.1225490 -0.0000000), wk = 0.0023419 k( 140) = ( 0.1176471 0.1176471 0.0000000), wk = 0.0023419 k( 141) = ( 0.1127451 0.1127451 -0.0000000), wk = 0.0023419 k( 142) = ( 0.1078431 0.1078431 -0.0000000), wk = 0.0023419 k( 143) = ( 0.1029412 0.1029412 -0.0000000), wk = 0.0023419 k( 144) = ( 0.0980392 0.0980392 -0.0000000), wk = 0.0023419 k( 145) = ( 0.0931373 0.0931372 -0.0000000), wk = 0.0023419 k( 146) = ( 0.0882353 0.0882353 -0.0000000), wk = 0.0023419 k( 147) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0023419 k( 148) = ( 0.0784314 0.0784314 -0.0000000), wk = 0.0023419 k( 149) = ( 0.0735294 0.0735294 -0.0000000), wk = 0.0023419 k( 150) = ( 0.0686275 0.0686275 -0.0000000), wk = 0.0023419 k( 151) = ( 0.0637255 0.0637255 -0.0000000), wk = 0.0023419 k( 152) = ( 0.0588235 0.0588235 0.0000000), wk = 0.0023419 k( 153) = ( 0.0539216 0.0539216 -0.0000000), wk = 0.0023419 k( 154) = ( 0.0490196 0.0490196 -0.0000000), wk = 0.0023419 k( 155) = ( 0.0441177 0.0441176 -0.0000000), wk = 0.0023419 k( 156) = ( 0.0392157 0.0392157 -0.0000000), wk = 0.0023419 k( 157) = ( 0.0343137 0.0343137 -0.0000000), wk = 0.0023419 k( 158) = ( 0.0294118 0.0294118 -0.0000000), wk = 0.0023419 k( 159) = ( 0.0245098 0.0245098 -0.0000000), wk = 0.0023419 k( 160) = ( 0.0196078 0.0196078 -0.0000000), wk = 0.0023419 k( 161) = ( 0.0147059 0.0147059 -0.0000000), wk = 0.0023419 k( 162) = ( 0.0098039 0.0098039 -0.0000000), wk = 0.0023419 k( 163) = ( 0.0049020 0.0049020 -0.0000000), wk = 0.0023419 k( 164) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023419 k( 165) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023419 k( 166) = ( 0.0000000 0.0000000 0.0156250), wk = 0.0023419 k( 167) = ( 0.0000000 0.0000000 0.0312500), wk = 0.0023419 k( 168) = ( 0.0000000 0.0000000 0.0468750), wk = 0.0023419 k( 169) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0023419 k( 170) = ( 0.0000000 0.0000000 0.0781250), wk = 0.0023419 k( 171) = ( 0.0000000 0.0000000 0.0937500), wk = 0.0023419 k( 172) = ( 0.0000000 0.0000000 0.1093750), wk = 0.0023419 k( 173) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0023419 k( 174) = ( 0.0000000 0.0000000 0.1406250), wk = 0.0023419 k( 175) = ( 0.0000000 0.0000000 0.1562500), wk = 0.0023419 k( 176) = ( 0.0000000 0.0000000 0.1718750), wk = 0.0023419 k( 177) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0023419 k( 178) = ( 0.0000000 0.0000000 0.2031250), wk = 0.0023419 k( 179) = ( 0.0000000 0.0000000 0.2187500), wk = 0.0023419 k( 180) = ( 0.0000000 0.0000000 0.2343750), wk = 0.0023419 k( 181) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0023419 k( 182) = ( 0.0000000 0.0000000 0.2656250), wk = 0.0023419 k( 183) = ( 0.0000000 0.0000000 0.2812500), wk = 0.0023419 k( 184) = ( 0.0000000 0.0000000 0.2968750), wk = 0.0023419 k( 185) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0023419 k( 186) = ( 0.0000000 0.0000000 0.3281250), wk = 0.0023419 k( 187) = ( 0.0000000 0.0000000 0.3437500), wk = 0.0023419 k( 188) = ( 0.0000000 0.0000000 0.3593750), wk = 0.0023419 k( 189) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0023419 k( 190) = ( 0.0000000 0.0000000 0.3906250), wk = 0.0023419 k( 191) = ( 0.0000000 0.0000000 0.4062500), wk = 0.0023419 k( 192) = ( 0.0000000 0.0000000 0.4218750), wk = 0.0023419 k( 193) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0023419 k( 194) = ( 0.0000000 0.0000000 0.4531250), wk = 0.0023419 k( 195) = ( 0.0000000 0.0000000 0.4687500), wk = 0.0023419 k( 196) = ( 0.0000000 0.0000000 0.4843750), wk = 0.0023419 k( 197) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023419 k( 198) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023419 k( 199) = ( 0.0084746 -0.0000000 0.5000000), wk = 0.0023419 k( 200) = ( 0.0169491 -0.0000000 0.5000000), wk = 0.0023419 k( 201) = ( 0.0254237 -0.0000000 0.5000000), wk = 0.0023419 k( 202) = ( 0.0338983 -0.0000000 0.5000000), wk = 0.0023419 k( 203) = ( 0.0423729 -0.0000000 0.5000000), wk = 0.0023419 k( 204) = ( 0.0508475 -0.0000000 0.5000000), wk = 0.0023419 k( 205) = ( 0.0593220 -0.0000000 0.5000000), wk = 0.0023419 k( 206) = ( 0.0677966 -0.0000000 0.5000000), wk = 0.0023419 k( 207) = ( 0.0762712 -0.0000000 0.5000000), wk = 0.0023419 k( 208) = ( 0.0847458 -0.0000000 0.5000000), wk = 0.0023419 k( 209) = ( 0.0932203 -0.0000000 0.5000000), wk = 0.0023419 k( 210) = ( 0.1016949 -0.0000000 0.5000000), wk = 0.0023419 k( 211) = ( 0.1101695 -0.0000000 0.5000000), wk = 0.0023419 k( 212) = ( 0.1186441 -0.0000000 0.5000000), wk = 0.0023419 k( 213) = ( 0.1271186 -0.0000000 0.5000000), wk = 0.0023419 k( 214) = ( 0.1355932 -0.0000000 0.5000000), wk = 0.0023419 k( 215) = ( 0.1440678 -0.0000000 0.5000000), wk = 0.0023419 k( 216) = ( 0.1525424 -0.0000000 0.5000000), wk = 0.0023419 k( 217) = ( 0.1610169 -0.0000000 0.5000000), wk = 0.0023419 k( 218) = ( 0.1694915 -0.0000000 0.5000000), wk = 0.0023419 k( 219) = ( 0.1779661 -0.0000000 0.5000000), wk = 0.0023419 k( 220) = ( 0.1864407 -0.0000000 0.5000000), wk = 0.0023419 k( 221) = ( 0.1949153 -0.0000000 0.5000000), wk = 0.0023419 k( 222) = ( 0.2033898 -0.0000000 0.5000000), wk = 0.0023419 k( 223) = ( 0.2118644 -0.0000000 0.5000000), wk = 0.0023419 k( 224) = ( 0.2203390 -0.0000000 0.5000000), wk = 0.0023419 k( 225) = ( 0.2288136 -0.0000000 0.5000000), wk = 0.0023419 k( 226) = ( 0.2372881 -0.0000000 0.5000000), wk = 0.0023419 k( 227) = ( 0.2457627 -0.0000000 0.5000000), wk = 0.0023419 k( 228) = ( 0.2542373 -0.0000000 0.5000000), wk = 0.0023419 k( 229) = ( 0.2627119 -0.0000000 0.5000000), wk = 0.0023419 k( 230) = ( 0.2711864 -0.0000000 0.5000000), wk = 0.0023419 k( 231) = ( 0.2796610 -0.0000000 0.5000000), wk = 0.0023419 k( 232) = ( 0.2881356 -0.0000000 0.5000000), wk = 0.0023419 k( 233) = ( 0.2966102 -0.0000000 0.5000000), wk = 0.0023419 k( 234) = ( 0.3050848 -0.0000000 0.5000000), wk = 0.0023419 k( 235) = ( 0.3135593 -0.0000000 0.5000000), wk = 0.0023419 k( 236) = ( 0.3220339 -0.0000000 0.5000000), wk = 0.0023419 k( 237) = ( 0.3305085 -0.0000000 0.5000000), wk = 0.0023419 k( 238) = ( 0.3389831 -0.0000000 0.5000000), wk = 0.0023419 k( 239) = ( 0.3474576 -0.0000000 0.5000000), wk = 0.0023419 k( 240) = ( 0.3559322 -0.0000000 0.5000000), wk = 0.0023419 k( 241) = ( 0.3644068 -0.0000000 0.5000000), wk = 0.0023419 k( 242) = ( 0.3728814 -0.0000000 0.5000000), wk = 0.0023419 k( 243) = ( 0.3813559 -0.0000000 0.5000000), wk = 0.0023419 k( 244) = ( 0.3898305 -0.0000000 0.5000000), wk = 0.0023419 k( 245) = ( 0.3983051 -0.0000000 0.5000000), wk = 0.0023419 k( 246) = ( 0.4067797 -0.0000000 0.5000000), wk = 0.0023419 k( 247) = ( 0.4152542 -0.0000000 0.5000000), wk = 0.0023419 k( 248) = ( 0.4237288 -0.0000000 0.5000000), wk = 0.0023419 k( 249) = ( 0.4322034 -0.0000000 0.5000000), wk = 0.0023419 k( 250) = ( 0.4406780 -0.0000000 0.5000000), wk = 0.0023419 k( 251) = ( 0.4491525 -0.0000000 0.5000000), wk = 0.0023419 k( 252) = ( 0.4576271 -0.0000000 0.5000000), wk = 0.0023419 k( 253) = ( 0.4661017 -0.0000000 0.5000000), wk = 0.0023419 k( 254) = ( 0.4745763 -0.0000000 0.5000000), wk = 0.0023419 k( 255) = ( 0.4830508 0.0000000 0.5000000), wk = 0.0023419 k( 256) = ( 0.4915254 -0.0000000 0.5000000), wk = 0.0023419 k( 257) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0023419 k( 258) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0023419 k( 259) = ( 0.4950980 0.0098039 0.5000000), wk = 0.0023419 k( 260) = ( 0.4901961 0.0196078 0.5000000), wk = 0.0023419 k( 261) = ( 0.4852941 0.0294118 0.5000000), wk = 0.0023419 k( 262) = ( 0.4803922 0.0392157 0.5000000), wk = 0.0023419 k( 263) = ( 0.4754902 0.0490196 0.5000000), wk = 0.0023419 k( 264) = ( 0.4705882 0.0588235 0.5000000), wk = 0.0023419 k( 265) = ( 0.4656863 0.0686274 0.5000000), wk = 0.0023419 k( 266) = ( 0.4607843 0.0784314 0.5000000), wk = 0.0023419 k( 267) = ( 0.4558823 0.0882353 0.5000000), wk = 0.0023419 k( 268) = ( 0.4509804 0.0980392 0.5000000), wk = 0.0023419 k( 269) = ( 0.4460784 0.1078431 0.5000000), wk = 0.0023419 k( 270) = ( 0.4411765 0.1176471 0.5000000), wk = 0.0023419 k( 271) = ( 0.4362745 0.1274510 0.5000000), wk = 0.0023419 k( 272) = ( 0.4313726 0.1372549 0.5000000), wk = 0.0023419 k( 273) = ( 0.4264706 0.1470588 0.5000000), wk = 0.0023419 k( 274) = ( 0.4215686 0.1568627 0.5000000), wk = 0.0023419 k( 275) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0023419 k( 276) = ( 0.4117647 0.1764706 0.5000000), wk = 0.0023419 k( 277) = ( 0.4068627 0.1862745 0.5000000), wk = 0.0023419 k( 278) = ( 0.4019608 0.1960784 0.5000000), wk = 0.0023419 k( 279) = ( 0.3970588 0.2058823 0.5000000), wk = 0.0023419 k( 280) = ( 0.3921569 0.2156863 0.5000000), wk = 0.0023419 k( 281) = ( 0.3872549 0.2254902 0.5000000), wk = 0.0023419 k( 282) = ( 0.3823529 0.2352941 0.5000000), wk = 0.0023419 k( 283) = ( 0.3774510 0.2450980 0.5000000), wk = 0.0023419 k( 284) = ( 0.3725490 0.2549020 0.5000000), wk = 0.0023419 k( 285) = ( 0.3676471 0.2647059 0.5000000), wk = 0.0023419 k( 286) = ( 0.3627451 0.2745098 0.5000000), wk = 0.0023419 k( 287) = ( 0.3578431 0.2843137 0.5000000), wk = 0.0023419 k( 288) = ( 0.3529412 0.2941177 0.5000000), wk = 0.0023419 k( 289) = ( 0.3480392 0.3039216 0.5000000), wk = 0.0023419 k( 290) = ( 0.3431373 0.3137255 0.5000000), wk = 0.0023419 k( 291) = ( 0.3382353 0.3235294 0.5000000), wk = 0.0023419 k( 292) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0023419 k( 293) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0023419 k( 294) = ( 0.3284314 0.3284314 0.5000000), wk = 0.0023419 k( 295) = ( 0.3235294 0.3235294 0.5000000), wk = 0.0023419 k( 296) = ( 0.3186274 0.3186274 0.5000000), wk = 0.0023419 k( 297) = ( 0.3137255 0.3137255 0.5000000), wk = 0.0023419 k( 298) = ( 0.3088235 0.3088235 0.5000000), wk = 0.0023419 k( 299) = ( 0.3039216 0.3039216 0.5000000), wk = 0.0023419 k( 300) = ( 0.2990196 0.2990196 0.5000000), wk = 0.0023419 k( 301) = ( 0.2941177 0.2941177 0.5000000), wk = 0.0023419 k( 302) = ( 0.2892157 0.2892157 0.5000000), wk = 0.0023419 k( 303) = ( 0.2843137 0.2843137 0.5000000), wk = 0.0023419 k( 304) = ( 0.2794118 0.2794118 0.5000000), wk = 0.0023419 k( 305) = ( 0.2745098 0.2745098 0.5000000), wk = 0.0023419 k( 306) = ( 0.2696078 0.2696078 0.5000000), wk = 0.0023419 k( 307) = ( 0.2647059 0.2647059 0.5000000), wk = 0.0023419 k( 308) = ( 0.2598039 0.2598039 0.5000000), wk = 0.0023419 k( 309) = ( 0.2549020 0.2549020 0.5000000), wk = 0.0023419 k( 310) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0023419 k( 311) = ( 0.2450980 0.2450980 0.5000000), wk = 0.0023419 k( 312) = ( 0.2401961 0.2401961 0.5000000), wk = 0.0023419 k( 313) = ( 0.2352941 0.2352941 0.5000000), wk = 0.0023419 k( 314) = ( 0.2303922 0.2303922 0.5000000), wk = 0.0023419 k( 315) = ( 0.2254902 0.2254902 0.5000000), wk = 0.0023419 k( 316) = ( 0.2205882 0.2205882 0.5000000), wk = 0.0023419 k( 317) = ( 0.2156863 0.2156863 0.5000000), wk = 0.0023419 k( 318) = ( 0.2107843 0.2107843 0.5000000), wk = 0.0023419 k( 319) = ( 0.2058823 0.2058823 0.5000000), wk = 0.0023419 k( 320) = ( 0.2009804 0.2009804 0.5000000), wk = 0.0023419 k( 321) = ( 0.1960784 0.1960784 0.5000000), wk = 0.0023419 k( 322) = ( 0.1911765 0.1911765 0.5000000), wk = 0.0023419 k( 323) = ( 0.1862745 0.1862745 0.5000000), wk = 0.0023419 k( 324) = ( 0.1813725 0.1813725 0.5000000), wk = 0.0023419 k( 325) = ( 0.1764706 0.1764706 0.5000000), wk = 0.0023419 k( 326) = ( 0.1715686 0.1715686 0.5000000), wk = 0.0023419 k( 327) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0023419 k( 328) = ( 0.1617647 0.1617647 0.5000000), wk = 0.0023419 k( 329) = ( 0.1568627 0.1568627 0.5000000), wk = 0.0023419 k( 330) = ( 0.1519608 0.1519608 0.5000000), wk = 0.0023419 k( 331) = ( 0.1470588 0.1470588 0.5000000), wk = 0.0023419 k( 332) = ( 0.1421569 0.1421569 0.5000000), wk = 0.0023419 k( 333) = ( 0.1372549 0.1372549 0.5000000), wk = 0.0023419 k( 334) = ( 0.1323529 0.1323529 0.5000000), wk = 0.0023419 k( 335) = ( 0.1274510 0.1274510 0.5000000), wk = 0.0023419 k( 336) = ( 0.1225490 0.1225490 0.5000000), wk = 0.0023419 k( 337) = ( 0.1176471 0.1176471 0.5000000), wk = 0.0023419 k( 338) = ( 0.1127451 0.1127451 0.5000000), wk = 0.0023419 k( 339) = ( 0.1078431 0.1078431 0.5000000), wk = 0.0023419 k( 340) = ( 0.1029412 0.1029412 0.5000000), wk = 0.0023419 k( 341) = ( 0.0980392 0.0980392 0.5000000), wk = 0.0023419 k( 342) = ( 0.0931373 0.0931372 0.5000000), wk = 0.0023419 k( 343) = ( 0.0882353 0.0882353 0.5000000), wk = 0.0023419 k( 344) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0023419 k( 345) = ( 0.0784314 0.0784314 0.5000000), wk = 0.0023419 k( 346) = ( 0.0735294 0.0735294 0.5000000), wk = 0.0023419 k( 347) = ( 0.0686275 0.0686275 0.5000000), wk = 0.0023419 k( 348) = ( 0.0637255 0.0637255 0.5000000), wk = 0.0023419 k( 349) = ( 0.0588235 0.0588235 0.5000000), wk = 0.0023419 k( 350) = ( 0.0539216 0.0539216 0.5000000), wk = 0.0023419 k( 351) = ( 0.0490196 0.0490196 0.5000000), wk = 0.0023419 k( 352) = ( 0.0441177 0.0441176 0.5000000), wk = 0.0023419 k( 353) = ( 0.0392157 0.0392157 0.5000000), wk = 0.0023419 k( 354) = ( 0.0343137 0.0343137 0.5000000), wk = 0.0023419 k( 355) = ( 0.0294118 0.0294118 0.5000000), wk = 0.0023419 k( 356) = ( 0.0245098 0.0245098 0.5000000), wk = 0.0023419 k( 357) = ( 0.0196078 0.0196078 0.5000000), wk = 0.0023419 k( 358) = ( 0.0147059 0.0147059 0.5000000), wk = 0.0023419 k( 359) = ( 0.0098039 0.0098039 0.5000000), wk = 0.0023419 k( 360) = ( 0.0049020 0.0049020 0.5000000), wk = 0.0023419 k( 361) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023419 k( 362) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0023419 k( 363) = ( 0.5000000 -0.0000000 0.4843750), wk = 0.0023419 k( 364) = ( 0.5000000 -0.0000000 0.4687500), wk = 0.0023419 k( 365) = ( 0.5000000 -0.0000000 0.4531250), wk = 0.0023419 k( 366) = ( 0.5000000 -0.0000000 0.4375000), wk = 0.0023419 k( 367) = ( 0.5000000 -0.0000000 0.4218750), wk = 0.0023419 k( 368) = ( 0.5000000 -0.0000000 0.4062500), wk = 0.0023419 k( 369) = ( 0.5000000 -0.0000000 0.3906250), wk = 0.0023419 k( 370) = ( 0.5000000 -0.0000000 0.3750000), wk = 0.0023419 k( 371) = ( 0.5000000 -0.0000000 0.3593750), wk = 0.0023419 k( 372) = ( 0.5000000 -0.0000000 0.3437500), wk = 0.0023419 k( 373) = ( 0.5000000 -0.0000000 0.3281250), wk = 0.0023419 k( 374) = ( 0.5000000 -0.0000000 0.3125000), wk = 0.0023419 k( 375) = ( 0.5000000 -0.0000000 0.2968750), wk = 0.0023419 k( 376) = ( 0.5000000 -0.0000000 0.2812500), wk = 0.0023419 k( 377) = ( 0.5000000 -0.0000000 0.2656250), wk = 0.0023419 k( 378) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0023419 k( 379) = ( 0.5000000 -0.0000000 0.2343750), wk = 0.0023419 k( 380) = ( 0.5000000 -0.0000000 0.2187500), wk = 0.0023419 k( 381) = ( 0.5000000 -0.0000000 0.2031250), wk = 0.0023419 k( 382) = ( 0.5000000 -0.0000000 0.1875000), wk = 0.0023419 k( 383) = ( 0.5000000 -0.0000000 0.1718750), wk = 0.0023419 k( 384) = ( 0.5000000 -0.0000000 0.1562500), wk = 0.0023419 k( 385) = ( 0.5000000 -0.0000000 0.1406250), wk = 0.0023419 k( 386) = ( 0.5000000 -0.0000000 0.1250000), wk = 0.0023419 k( 387) = ( 0.5000000 -0.0000000 0.1093750), wk = 0.0023419 k( 388) = ( 0.5000000 -0.0000000 0.0937500), wk = 0.0023419 k( 389) = ( 0.5000000 -0.0000000 0.0781250), wk = 0.0023419 k( 390) = ( 0.5000000 -0.0000000 0.0625000), wk = 0.0023419 k( 391) = ( 0.5000000 -0.0000000 0.0468750), wk = 0.0023419 k( 392) = ( 0.5000000 -0.0000000 0.0312500), wk = 0.0023419 k( 393) = ( 0.5000000 -0.0000000 0.0156250), wk = 0.0023419 k( 394) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023419 k( 395) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0023419 k( 396) = ( 0.3333333 0.3333333 0.0156250), wk = 0.0023419 k( 397) = ( 0.3333333 0.3333333 0.0312500), wk = 0.0023419 k( 398) = ( 0.3333333 0.3333333 0.0468750), wk = 0.0023419 k( 399) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0023419 k( 400) = ( 0.3333333 0.3333333 0.0781250), wk = 0.0023419 k( 401) = ( 0.3333333 0.3333333 0.0937500), wk = 0.0023419 k( 402) = ( 0.3333333 0.3333333 0.1093750), wk = 0.0023419 k( 403) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0023419 k( 404) = ( 0.3333333 0.3333333 0.1406250), wk = 0.0023419 k( 405) = ( 0.3333333 0.3333333 0.1562500), wk = 0.0023419 k( 406) = ( 0.3333333 0.3333333 0.1718750), wk = 0.0023419 k( 407) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0023419 k( 408) = ( 0.3333333 0.3333333 0.2031250), wk = 0.0023419 k( 409) = ( 0.3333333 0.3333333 0.2187500), wk = 0.0023419 k( 410) = ( 0.3333333 0.3333333 0.2343750), wk = 0.0023419 k( 411) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0023419 k( 412) = ( 0.3333333 0.3333333 0.2656250), wk = 0.0023419 k( 413) = ( 0.3333333 0.3333333 0.2812500), wk = 0.0023419 k( 414) = ( 0.3333333 0.3333333 0.2968750), wk = 0.0023419 k( 415) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0023419 k( 416) = ( 0.3333333 0.3333333 0.3281250), wk = 0.0023419 k( 417) = ( 0.3333333 0.3333333 0.3437500), wk = 0.0023419 k( 418) = ( 0.3333333 0.3333333 0.3593750), wk = 0.0023419 k( 419) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0023419 k( 420) = ( 0.3333333 0.3333333 0.3906250), wk = 0.0023419 k( 421) = ( 0.3333333 0.3333333 0.4062500), wk = 0.0023419 k( 422) = ( 0.3333333 0.3333333 0.4218750), wk = 0.0023419 k( 423) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0023419 k( 424) = ( 0.3333333 0.3333333 0.4531250), wk = 0.0023419 k( 425) = ( 0.3333333 0.3333333 0.4687500), wk = 0.0023419 k( 426) = ( 0.3333333 0.3333333 0.4843750), wk = 0.0023419 k( 427) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0023419 Dense grid: 39667 G-vectors FFT dimensions: ( 40, 40, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 286, 36) NL pseudopotentials 0.20 Mb ( 143, 90) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 1105) G-vector shells 0.00 Mb ( 518) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.63 Mb ( 286, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.10 Mb ( 90, 2, 36) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Li2NiO2.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.9 secs Computing kpt #: 2 total cpu time spent up to now is 2.2 secs Computing kpt #: 3 total cpu time spent up to now is 2.4 secs Computing kpt #: 4 total cpu time spent up to now is 2.6 secs Computing kpt #: 5 total cpu time spent up to now is 2.8 secs Computing kpt #: 6 total cpu time spent up to now is 3.0 secs Computing kpt #: 7 total cpu time spent up to now is 3.2 secs Computing kpt #: 8 total cpu time spent up to now is 3.4 secs Computing kpt #: 9 total cpu time spent up to now is 3.7 secs Computing kpt #: 10 total cpu time spent up to now is 3.9 secs Computing kpt #: 11 total cpu time spent up to now is 4.1 secs Computing kpt #: 12 total cpu time spent up to now is 4.3 secs Computing kpt #: 13 total cpu time spent up to now is 4.6 secs Computing kpt #: 14 total cpu time spent up to now is 4.8 secs Computing kpt #: 15 total cpu time spent up to now is 5.0 secs Computing kpt #: 16 total cpu time spent up to now is 5.2 secs Computing kpt #: 17 total cpu time spent up to now is 5.5 secs Computing kpt #: 18 total cpu time spent up to now is 5.7 secs Computing kpt #: 19 total cpu time spent up to now is 5.9 secs Computing kpt #: 20 total cpu time spent up to now is 6.2 secs Computing kpt #: 21 total cpu time spent up to now is 6.4 secs Computing kpt #: 22 total cpu time spent up to now is 6.6 secs Computing kpt #: 23 total cpu time spent up to now is 6.9 secs Computing kpt #: 24 total cpu time spent up to now is 7.1 secs Computing kpt #: 25 total cpu time spent up to now is 7.4 secs Computing kpt #: 26 total cpu time spent up to now is 7.6 secs Computing kpt #: 27 total cpu time spent up to now is 7.9 secs Computing kpt #: 28 total cpu time spent up to now is 8.1 secs Computing kpt #: 29 total cpu time spent up to now is 8.4 secs Computing kpt #: 30 total cpu time spent up to now is 8.6 secs Computing kpt #: 31 total cpu time spent up to now is 8.9 secs Computing kpt #: 32 total cpu time spent up to now is 9.1 secs Computing kpt #: 33 total cpu time spent up to now is 9.4 secs Computing kpt #: 34 total cpu time spent up to now is 9.7 secs Computing kpt #: 35 total cpu time spent up to now is 9.9 secs Computing kpt #: 36 total cpu time spent up to now is 10.2 secs Computing kpt #: 37 total cpu time spent up to now is 10.5 secs Computing kpt #: 38 total cpu time spent up to now is 10.7 secs Computing kpt #: 39 total cpu time spent up to now is 11.0 secs Computing kpt #: 40 total cpu time spent up to now is 11.2 secs Computing kpt #: 41 total cpu time spent up to now is 11.5 secs Computing kpt #: 42 total cpu time spent up to now is 11.8 secs Computing kpt #: 43 total cpu time spent up to now is 12.0 secs Computing kpt #: 44 total cpu time spent up to now is 12.3 secs Computing kpt #: 45 total cpu time spent up to now is 12.6 secs Computing kpt #: 46 total cpu time spent up to now is 12.8 secs Computing kpt #: 47 total cpu time spent up to now is 13.1 secs Computing kpt #: 48 total cpu time spent up to now is 13.4 secs Computing kpt #: 49 total cpu time spent up to now is 13.6 secs Computing kpt #: 50 total cpu time spent up to now is 13.9 secs Computing kpt #: 51 total cpu time spent up to now is 14.1 secs Computing kpt #: 52 total cpu time spent up to now is 14.4 secs Computing kpt #: 53 total cpu time spent up to now is 14.7 secs Computing kpt #: 54 total cpu time spent up to now is 14.9 secs Computing kpt #: 55 total cpu time spent up to now is 15.2 secs Computing kpt #: 56 total cpu time spent up to now is 15.4 secs Computing kpt #: 57 total cpu time spent up to now is 15.7 secs Computing kpt #: 58 total cpu time spent up to now is 15.9 secs Computing kpt #: 59 total cpu time spent up to now is 16.2 secs Computing kpt #: 60 total cpu time spent up to now is 16.4 secs Computing kpt #: 61 total cpu time spent up to now is 16.7 secs Computing kpt #: 62 total cpu time spent up to now is 16.9 secs Computing kpt #: 63 total cpu time spent up to now is 17.2 secs Computing kpt #: 64 total cpu time spent up to now is 17.4 secs Computing kpt #: 65 total cpu time spent up to now is 17.7 secs Computing kpt #: 66 total cpu time spent up to now is 17.9 secs Computing kpt #: 67 total cpu time spent up to now is 18.2 secs Computing kpt #: 68 total cpu time spent up to now is 18.4 secs Computing kpt #: 69 total cpu time spent up to now is 18.7 secs Computing kpt #: 70 total cpu time spent up to now is 19.0 secs Computing kpt #: 71 total cpu time spent up to now is 19.2 secs Computing kpt #: 72 total cpu time spent up to now is 19.5 secs Computing kpt #: 73 total cpu time spent up to now is 19.7 secs Computing kpt #: 74 total cpu time spent up to now is 20.0 secs Computing kpt #: 75 total cpu time spent up to now is 20.2 secs Computing kpt #: 76 total cpu time spent up to now is 20.5 secs Computing kpt #: 77 total cpu time spent up to now is 20.8 secs Computing kpt #: 78 total cpu time spent up to now is 21.0 secs Computing kpt #: 79 total cpu time spent up to now is 21.3 secs Computing kpt #: 80 total cpu time spent up to now is 21.5 secs Computing kpt #: 81 total cpu time spent up to now is 21.8 secs Computing kpt #: 82 total cpu time spent up to now is 22.0 secs Computing kpt #: 83 total cpu time spent up to now is 22.3 secs Computing kpt #: 84 total cpu time spent up to now is 22.6 secs Computing kpt #: 85 total cpu time spent up to now is 22.9 secs Computing kpt #: 86 total cpu time spent up to now is 23.1 secs Computing kpt #: 87 total cpu time spent up to now is 23.4 secs Computing kpt #: 88 total cpu time spent up to now is 23.7 secs Computing kpt #: 89 total cpu time spent up to now is 24.0 secs Computing kpt #: 90 total cpu time spent up to now is 24.2 secs Computing kpt #: 91 total cpu time spent up to now is 24.5 secs Computing kpt #: 92 total cpu time spent up to now is 24.8 secs Computing kpt #: 93 total cpu time spent up to now is 25.1 secs Computing kpt #: 94 total cpu time spent up to now is 25.4 secs Computing kpt #: 95 total cpu time spent up to now is 25.7 secs Computing kpt #: 96 total cpu time spent up to now is 26.1 secs Computing kpt #: 97 total cpu time spent up to now is 26.4 secs Computing kpt #: 98 total cpu time spent up to now is 26.6 secs Computing kpt #: 99 total cpu time spent up to now is 26.9 secs Computing kpt #: 100 total cpu time spent up to now is 27.2 secs Computing kpt #: 101 total cpu time spent up to now is 27.5 secs Computing kpt #: 102 total cpu time spent up to now is 27.8 secs Computing kpt #: 103 total cpu time spent up to now is 28.1 secs Computing kpt #: 104 total cpu time spent up to now is 28.3 secs Computing kpt #: 105 total cpu time spent up to now is 28.6 secs Computing kpt #: 106 total cpu time spent up to now is 28.9 secs Computing kpt #: 107 total cpu time spent up to now is 29.2 secs Computing kpt #: 108 total cpu time spent up to now is 29.4 secs Computing kpt #: 109 total cpu time spent up to now is 29.7 secs Computing kpt #: 110 total cpu time spent up to now is 30.0 secs Computing kpt #: 111 total cpu time spent up to now is 30.3 secs Computing kpt #: 112 total cpu time spent up to now is 30.6 secs Computing kpt #: 113 total cpu time spent up to now is 30.9 secs Computing kpt #: 114 total cpu time spent up to now is 31.1 secs Computing kpt #: 115 total cpu time spent up to now is 31.5 secs Computing kpt #: 116 total cpu time spent up to now is 31.8 secs Computing kpt #: 117 total cpu time spent up to now is 32.1 secs Computing kpt #: 118 total cpu time spent up to now is 32.5 secs Computing kpt #: 119 total cpu time spent up to now is 32.8 secs Computing kpt #: 120 total cpu time spent up to now is 33.2 secs Computing kpt #: 121 total cpu time spent up to now is 33.5 secs Computing kpt #: 122 total cpu time spent up to now is 33.7 secs Computing kpt #: 123 total cpu time spent up to now is 34.0 secs Computing kpt #: 124 total cpu time spent up to now is 34.3 secs Computing kpt #: 125 total cpu time spent up to now is 34.5 secs Computing kpt #: 126 total cpu time spent up to now is 34.8 secs Computing kpt #: 127 total cpu time spent up to now is 35.1 secs Computing kpt #: 128 total cpu time spent up to now is 35.3 secs Computing kpt #: 129 total cpu time spent up to now is 35.6 secs Computing kpt #: 130 total cpu time spent up to now is 35.9 secs Computing kpt #: 131 total cpu time spent up to now is 36.1 secs Computing kpt #: 132 total cpu time spent up to now is 36.4 secs Computing kpt #: 133 total cpu time spent up to now is 36.6 secs Computing kpt #: 134 total cpu time spent up to now is 36.9 secs Computing kpt #: 135 total cpu time spent up to now is 37.1 secs Computing kpt #: 136 total cpu time spent up to now is 37.4 secs Computing kpt #: 137 total cpu time spent up to now is 37.6 secs Computing kpt #: 138 total cpu time spent up to now is 37.9 secs Computing kpt #: 139 total cpu time spent up to now is 38.1 secs Computing kpt #: 140 total cpu time spent up to now is 38.3 secs Computing kpt #: 141 total cpu time spent up to now is 38.6 secs Computing kpt #: 142 total cpu time spent up to now is 38.8 secs Computing kpt #: 143 total cpu time spent up to now is 39.1 secs Computing kpt #: 144 total cpu time spent up to now is 39.3 secs Computing kpt #: 145 total cpu time spent up to now is 39.5 secs Computing kpt #: 146 total cpu time spent up to now is 39.8 secs Computing kpt #: 147 total cpu time spent up to now is 40.0 secs Computing kpt #: 148 total cpu time spent up to now is 40.2 secs Computing kpt #: 149 total cpu time spent up to now is 40.4 secs Computing kpt #: 150 total cpu time spent up to now is 40.7 secs Computing kpt #: 151 total cpu time spent up to now is 40.9 secs Computing kpt #: 152 total cpu time spent up to now is 41.1 secs Computing kpt #: 153 total cpu time spent up to now is 41.4 secs Computing kpt #: 154 total cpu time spent up to now is 41.6 secs Computing kpt #: 155 total cpu time spent up to now is 41.8 secs Computing kpt #: 156 total cpu time spent up to now is 42.0 secs Computing kpt #: 157 total cpu time spent up to now is 42.2 secs Computing kpt #: 158 total cpu time spent up to now is 42.4 secs Computing kpt #: 159 total cpu time spent up to now is 42.7 secs Computing kpt #: 160 total cpu time spent up to now is 42.9 secs Computing kpt #: 161 total cpu time spent up to now is 43.1 secs Computing kpt #: 162 total cpu time spent up to now is 43.3 secs Computing kpt #: 163 total cpu time spent up to now is 43.5 secs Computing kpt #: 164 total cpu time spent up to now is 43.7 secs Computing kpt #: 165 total cpu time spent up to now is 43.9 secs Computing kpt #: 166 total cpu time spent up to now is 44.1 secs Computing kpt #: 167 total cpu time spent up to now is 44.3 secs Computing kpt #: 168 total cpu time spent up to now is 44.5 secs Computing kpt #: 169 total cpu time spent up to now is 44.8 secs Computing kpt #: 170 total cpu time spent up to now is 45.0 secs Computing kpt #: 171 total cpu time spent up to now is 45.2 secs Computing kpt #: 172 total cpu time spent up to now is 45.4 secs Computing kpt #: 173 total cpu time spent up to now is 45.6 secs Computing kpt #: 174 total cpu time spent up to now is 45.8 secs Computing kpt #: 175 total cpu time spent up to now is 46.0 secs Computing kpt #: 176 total cpu time spent up to now is 46.2 secs Computing kpt #: 177 total cpu time spent up to now is 46.5 secs Computing kpt #: 178 total cpu time spent up to now is 46.7 secs Computing kpt #: 179 total cpu time spent up to now is 46.9 secs Computing kpt #: 180 total cpu time spent up to now is 47.1 secs Computing kpt #: 181 total cpu time spent up to now is 47.3 secs Computing kpt #: 182 total cpu time spent up to now is 47.5 secs Computing kpt #: 183 total cpu time spent up to now is 47.7 secs Computing kpt #: 184 total cpu time spent up to now is 47.9 secs Computing kpt #: 185 total cpu time spent up to now is 48.1 secs Computing kpt #: 186 total cpu time spent up to now is 48.4 secs Computing kpt #: 187 total cpu time spent up to now is 48.6 secs Computing kpt #: 188 total cpu time spent up to now is 48.8 secs Computing kpt #: 189 total cpu time spent up to now is 49.0 secs Computing kpt #: 190 total cpu time spent up to now is 49.2 secs Computing kpt #: 191 total cpu time spent up to now is 49.4 secs Computing kpt #: 192 total cpu time spent up to now is 49.6 secs Computing kpt #: 193 total cpu time spent up to now is 49.8 secs Computing kpt #: 194 total cpu time spent up to now is 50.0 secs Computing kpt #: 195 total cpu time spent up to now is 50.2 secs Computing kpt #: 196 total cpu time spent up to now is 50.4 secs Computing kpt #: 197 total cpu time spent up to now is 50.6 secs Computing kpt #: 198 total cpu time spent up to now is 50.8 secs Computing kpt #: 199 total cpu time spent up to now is 51.0 secs Computing kpt #: 200 total cpu time spent up to now is 51.2 secs Computing kpt #: 201 total cpu time spent up to now is 51.4 secs Computing kpt #: 202 total cpu time spent up to now is 51.6 secs Computing kpt #: 203 total cpu time spent up to now is 51.9 secs Computing kpt #: 204 total cpu time spent up to now is 52.1 secs Computing kpt #: 205 total cpu time spent up to now is 52.3 secs Computing kpt #: 206 total cpu time spent up to now is 52.5 secs Computing kpt #: 207 total cpu time spent up to now is 52.7 secs Computing kpt #: 208 total cpu time spent up to now is 52.9 secs Computing kpt #: 209 total cpu time spent up to now is 53.1 secs Computing kpt #: 210 total cpu time spent up to now is 53.4 secs Computing kpt #: 211 total cpu time spent up to now is 53.6 secs Computing kpt #: 212 total cpu time spent up to now is 53.8 secs Computing kpt #: 213 total cpu time spent up to now is 54.0 secs Computing kpt #: 214 total cpu time spent up to now is 54.3 secs Computing kpt #: 215 total cpu time spent up to now is 54.5 secs Computing kpt #: 216 total cpu time spent up to now is 54.7 secs Computing kpt #: 217 total cpu time spent up to now is 55.0 secs Computing kpt #: 218 total cpu time spent up to now is 55.2 secs Computing kpt #: 219 total cpu time spent up to now is 55.5 secs Computing kpt #: 220 total cpu time spent up to now is 55.7 secs Computing kpt #: 221 total cpu time spent up to now is 55.9 secs Computing kpt #: 222 total cpu time spent up to now is 56.2 secs Computing kpt #: 223 total cpu time spent up to now is 56.4 secs Computing kpt #: 224 total cpu time spent up to now is 56.7 secs Computing kpt #: 225 total cpu time spent up to now is 56.9 secs Computing kpt #: 226 total cpu time spent up to now is 57.2 secs Computing kpt #: 227 total cpu time spent up to now is 57.5 secs Computing kpt #: 228 total cpu time spent up to now is 57.7 secs Computing kpt #: 229 total cpu time spent up to now is 58.0 secs Computing kpt #: 230 total cpu time spent up to now is 58.3 secs Computing kpt #: 231 total cpu time spent up to now is 58.5 secs Computing kpt #: 232 total cpu time spent up to now is 58.8 secs Computing kpt #: 233 total cpu time spent up to now is 59.1 secs Computing kpt #: 234 total cpu time spent up to now is 59.4 secs Computing kpt #: 235 total cpu time spent up to now is 59.7 secs Computing kpt #: 236 total cpu time spent up to now is 60.0 secs Computing kpt #: 237 total cpu time spent up to now is 60.3 secs Computing kpt #: 238 total cpu time spent up to now is 60.6 secs Computing kpt #: 239 total cpu time spent up to now is 61.0 secs Computing kpt #: 240 total cpu time spent up to now is 61.3 secs Computing kpt #: 241 total cpu time spent up to now is 61.6 secs Computing kpt #: 242 total cpu time spent up to now is 61.9 secs Computing kpt #: 243 total cpu time spent up to now is 62.2 secs Computing kpt #: 244 total cpu time spent up to now is 62.5 secs Computing kpt #: 245 total cpu time spent up to now is 62.8 secs Computing kpt #: 246 total cpu time spent up to now is 63.0 secs Computing kpt #: 247 total cpu time spent up to now is 63.3 secs Computing kpt #: 248 total cpu time spent up to now is 63.6 secs Computing kpt #: 249 total cpu time spent up to now is 63.8 secs Computing kpt #: 250 total cpu time spent up to now is 64.1 secs Computing kpt #: 251 total cpu time spent up to now is 64.4 secs Computing kpt #: 252 total cpu time spent up to now is 64.6 secs Computing kpt #: 253 total cpu time spent up to now is 64.9 secs Computing kpt #: 254 total cpu time spent up to now is 65.1 secs Computing kpt #: 255 total cpu time spent up to now is 65.4 secs Computing kpt #: 256 total cpu time spent up to now is 65.6 secs Computing kpt #: 257 total cpu time spent up to now is 65.9 secs Computing kpt #: 258 total cpu time spent up to now is 66.1 secs Computing kpt #: 259 total cpu time spent up to now is 66.4 secs Computing kpt #: 260 total cpu time spent up to now is 66.6 secs Computing kpt #: 261 total cpu time spent up to now is 66.9 secs Computing kpt #: 262 total cpu time spent up to now is 67.1 secs Computing kpt #: 263 total cpu time spent up to now is 67.4 secs Computing kpt #: 264 total cpu time spent up to now is 67.6 secs Computing kpt #: 265 total cpu time spent up to now is 67.9 secs Computing kpt #: 266 total cpu time spent up to now is 68.1 secs Computing kpt #: 267 total cpu time spent up to now is 68.4 secs Computing kpt #: 268 total cpu time spent up to now is 68.6 secs Computing kpt #: 269 total cpu time spent up to now is 68.9 secs Computing kpt #: 270 total cpu time spent up to now is 69.1 secs Computing kpt #: 271 total cpu time spent up to now is 69.4 secs Computing kpt #: 272 total cpu time spent up to now is 69.6 secs Computing kpt #: 273 total cpu time spent up to now is 69.9 secs Computing kpt #: 274 total cpu time spent up to now is 70.1 secs Computing kpt #: 275 total cpu time spent up to now is 70.4 secs Computing kpt #: 276 total cpu time spent up to now is 70.7 secs Computing kpt #: 277 total cpu time spent up to now is 71.0 secs Computing kpt #: 278 total cpu time spent up to now is 71.3 secs Computing kpt #: 279 total cpu time spent up to now is 71.5 secs Computing kpt #: 280 total cpu time spent up to now is 71.8 secs Computing kpt #: 281 total cpu time spent up to now is 72.1 secs Computing kpt #: 282 total cpu time spent up to now is 72.3 secs Computing kpt #: 283 total cpu time spent up to now is 72.6 secs Computing kpt #: 284 total cpu time spent up to now is 72.9 secs Computing kpt #: 285 total cpu time spent up to now is 73.2 secs Computing kpt #: 286 total cpu time spent up to now is 73.5 secs Computing kpt #: 287 total cpu time spent up to now is 73.7 secs Computing kpt #: 288 total cpu time spent up to now is 74.0 secs Computing kpt #: 289 total cpu time spent up to now is 74.3 secs Computing kpt #: 290 total cpu time spent up to now is 74.6 secs Computing kpt #: 291 total cpu time spent up to now is 74.9 secs Computing kpt #: 292 total cpu time spent up to now is 75.2 secs Computing kpt #: 293 total cpu time spent up to now is 75.5 secs Computing kpt #: 294 total cpu time spent up to now is 75.8 secs Computing kpt #: 295 total cpu time spent up to now is 76.1 secs Computing kpt #: 296 total cpu time spent up to now is 76.4 secs Computing kpt #: 297 total cpu time spent up to now is 76.7 secs Computing kpt #: 298 total cpu time spent up to now is 77.0 secs Computing kpt #: 299 total cpu time spent up to now is 77.3 secs Computing kpt #: 300 total cpu time spent up to now is 77.6 secs Computing kpt #: 301 total cpu time spent up to now is 77.9 secs Computing kpt #: 302 total cpu time spent up to now is 78.2 secs Computing kpt #: 303 total cpu time spent up to now is 78.5 secs Computing kpt #: 304 total cpu time spent up to now is 78.8 secs Computing kpt #: 305 total cpu time spent up to now is 79.1 secs Computing kpt #: 306 total cpu time spent up to now is 79.4 secs Computing kpt #: 307 total cpu time spent up to now is 79.7 secs Computing kpt #: 308 total cpu time spent up to now is 80.0 secs Computing kpt #: 309 total cpu time spent up to now is 80.3 secs Computing kpt #: 310 total cpu time spent up to now is 80.6 secs Computing kpt #: 311 total cpu time spent up to now is 80.9 secs Computing kpt #: 312 total cpu time spent up to now is 81.1 secs Computing kpt #: 313 total cpu time spent up to now is 81.4 secs Computing kpt #: 314 total cpu time spent up to now is 81.8 secs Computing kpt #: 315 total cpu time spent up to now is 82.1 secs Computing kpt #: 316 total cpu time spent up to now is 82.4 secs Computing kpt #: 317 total cpu time spent up to now is 82.7 secs Computing kpt #: 318 total cpu time spent up to now is 83.0 secs Computing kpt #: 319 total cpu time spent up to now is 83.3 secs Computing kpt #: 320 total cpu time spent up to now is 83.6 secs Computing kpt #: 321 total cpu time spent up to now is 83.9 secs Computing kpt #: 322 total cpu time spent up to now is 84.2 secs Computing kpt #: 323 total cpu time spent up to now is 84.5 secs Computing kpt #: 324 total cpu time spent up to now is 84.9 secs Computing kpt #: 325 total cpu time spent up to now is 85.2 secs Computing kpt #: 326 total cpu time spent up to now is 85.4 secs Computing kpt #: 327 total cpu time spent up to now is 85.7 secs Computing kpt #: 328 total cpu time spent up to now is 86.0 secs Computing kpt #: 329 total cpu time spent up to now is 86.2 secs Computing kpt #: 330 total cpu time spent up to now is 86.5 secs Computing kpt #: 331 total cpu time spent up to now is 86.7 secs Computing kpt #: 332 total cpu time spent up to now is 87.0 secs Computing kpt #: 333 total cpu time spent up to now is 87.3 secs Computing kpt #: 334 total cpu time spent up to now is 87.5 secs Computing kpt #: 335 total cpu time spent up to now is 87.7 secs Computing kpt #: 336 total cpu time spent up to now is 88.0 secs Computing kpt #: 337 total cpu time spent up to now is 88.2 secs Computing kpt #: 338 total cpu time spent up to now is 88.5 secs Computing kpt #: 339 total cpu time spent up to now is 88.7 secs Computing kpt #: 340 total cpu time spent up to now is 88.9 secs Computing kpt #: 341 total cpu time spent up to now is 89.2 secs Computing kpt #: 342 total cpu time spent up to now is 89.4 secs Computing kpt #: 343 total cpu time spent up to now is 89.6 secs Computing kpt #: 344 total cpu time spent up to now is 89.9 secs Computing kpt #: 345 total cpu time spent up to now is 90.1 secs Computing kpt #: 346 total cpu time spent up to now is 90.3 secs Computing kpt #: 347 total cpu time spent up to now is 90.6 secs Computing kpt #: 348 total cpu time spent up to now is 90.8 secs Computing kpt #: 349 total cpu time spent up to now is 91.0 secs Computing kpt #: 350 total cpu time spent up to now is 91.2 secs Computing kpt #: 351 total cpu time spent up to now is 91.5 secs Computing kpt #: 352 total cpu time spent up to now is 91.7 secs Computing kpt #: 353 total cpu time spent up to now is 91.9 secs Computing kpt #: 354 total cpu time spent up to now is 92.1 secs Computing kpt #: 355 total cpu time spent up to now is 92.3 secs Computing kpt #: 356 total cpu time spent up to now is 92.5 secs Computing kpt #: 357 total cpu time spent up to now is 92.7 secs Computing kpt #: 358 total cpu time spent up to now is 92.9 secs Computing kpt #: 359 total cpu time spent up to now is 93.1 secs Computing kpt #: 360 total cpu time spent up to now is 93.3 secs Computing kpt #: 361 total cpu time spent up to now is 93.5 secs Computing kpt #: 362 total cpu time spent up to now is 93.8 secs Computing kpt #: 363 total cpu time spent up to now is 94.0 secs Computing kpt #: 364 total cpu time spent up to now is 94.3 secs Computing kpt #: 365 total cpu time spent up to now is 94.5 secs Computing kpt #: 366 total cpu time spent up to now is 94.8 secs Computing kpt #: 367 total cpu time spent up to now is 95.1 secs Computing kpt #: 368 total cpu time spent up to now is 95.3 secs Computing kpt #: 369 total cpu time spent up to now is 95.6 secs Computing kpt #: 370 total cpu time spent up to now is 95.9 secs Computing kpt #: 371 total cpu time spent up to now is 96.1 secs Computing kpt #: 372 total cpu time spent up to now is 96.4 secs Computing kpt #: 373 total cpu time spent up to now is 96.7 secs Computing kpt #: 374 total cpu time spent up to now is 96.9 secs Computing kpt #: 375 total cpu time spent up to now is 97.2 secs Computing kpt #: 376 total cpu time spent up to now is 97.5 secs Computing kpt #: 377 total cpu time spent up to now is 97.7 secs Computing kpt #: 378 total cpu time spent up to now is 98.0 secs Computing kpt #: 379 total cpu time spent up to now is 98.3 secs Computing kpt #: 380 total cpu time spent up to now is 98.5 secs Computing kpt #: 381 total cpu time spent up to now is 98.8 secs Computing kpt #: 382 total cpu time spent up to now is 99.0 secs Computing kpt #: 383 total cpu time spent up to now is 99.3 secs Computing kpt #: 384 total cpu time spent up to now is 99.6 secs Computing kpt #: 385 total cpu time spent up to now is 99.8 secs Computing kpt #: 386 total cpu time spent up to now is 100.1 secs Computing kpt #: 387 total cpu time spent up to now is 100.3 secs Computing kpt #: 388 total cpu time spent up to now is 100.6 secs Computing kpt #: 389 total cpu time spent up to now is 100.9 secs Computing kpt #: 390 total cpu time spent up to now is 101.1 secs Computing kpt #: 391 total cpu time spent up to now is 101.4 secs Computing kpt #: 392 total cpu time spent up to now is 101.6 secs Computing kpt #: 393 total cpu time spent up to now is 101.9 secs Computing kpt #: 394 total cpu time spent up to now is 102.1 secs Computing kpt #: 395 total cpu time spent up to now is 102.5 secs Computing kpt #: 396 total cpu time spent up to now is 102.8 secs Computing kpt #: 397 total cpu time spent up to now is 103.1 secs Computing kpt #: 398 total cpu time spent up to now is 103.5 secs Computing kpt #: 399 total cpu time spent up to now is 103.8 secs Computing kpt #: 400 total cpu time spent up to now is 104.1 secs Computing kpt #: 401 total cpu time spent up to now is 104.4 secs Computing kpt #: 402 total cpu time spent up to now is 104.8 secs Computing kpt #: 403 total cpu time spent up to now is 105.1 secs Computing kpt #: 404 total cpu time spent up to now is 105.4 secs Computing kpt #: 405 total cpu time spent up to now is 105.7 secs Computing kpt #: 406 total cpu time spent up to now is 106.0 secs Computing kpt #: 407 total cpu time spent up to now is 106.3 secs Computing kpt #: 408 total cpu time spent up to now is 106.6 secs Computing kpt #: 409 total cpu time spent up to now is 107.0 secs Computing kpt #: 410 total cpu time spent up to now is 107.3 secs Computing kpt #: 411 total cpu time spent up to now is 107.5 secs Computing kpt #: 412 total cpu time spent up to now is 107.8 secs Computing kpt #: 413 total cpu time spent up to now is 108.1 secs Computing kpt #: 414 total cpu time spent up to now is 108.5 secs Computing kpt #: 415 total cpu time spent up to now is 108.8 secs Computing kpt #: 416 total cpu time spent up to now is 109.1 secs Computing kpt #: 417 total cpu time spent up to now is 109.4 secs Computing kpt #: 418 total cpu time spent up to now is 109.7 secs Computing kpt #: 419 total cpu time spent up to now is 110.0 secs Computing kpt #: 420 total cpu time spent up to now is 110.3 secs Computing kpt #: 421 total cpu time spent up to now is 110.6 secs Computing kpt #: 422 total cpu time spent up to now is 110.9 secs Computing kpt #: 423 total cpu time spent up to now is 111.2 secs Computing kpt #: 424 total cpu time spent up to now is 111.5 secs Computing kpt #: 425 total cpu time spent up to now is 111.8 secs Computing kpt #: 426 total cpu time spent up to now is 112.1 secs Computing kpt #: 427 total cpu time spent up to now is 112.4 secs ethr = 3.57E-08, avg # of iterations = 15.7 total cpu time spent up to now is 112.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4951 PWs) bands (ev): -36.8549 -36.8549 -36.6971 -36.6971 -10.9302 -10.9302 -10.0942 -10.0942 1.4368 1.4368 3.6647 3.6647 3.6784 3.6784 5.3575 5.3575 5.3867 5.3867 5.6050 5.6050 6.5310 6.5310 6.5569 6.5569 6.8349 6.8349 8.2547 8.2547 8.3082 8.3082 10.5562 10.5562 14.7869 14.7869 15.8101 15.8101 k = 0.0085 0.0049-0.0000 ( 4951 PWs) bands (ev): -36.8549 -36.8549 -36.6971 -36.6971 -10.9298 -10.9298 -10.0942 -10.0942 1.4375 1.4375 3.6643 3.6643 3.6780 3.6780 5.3542 5.3542 5.3834 5.3834 5.6045 5.6045 6.5322 6.5322 6.5580 6.5580 6.8356 6.8356 8.2545 8.2545 8.3079 8.3079 10.5589 10.5589 14.7893 14.7893 15.8099 15.8099 k = 0.0169 0.0098-0.0000 ( 4953 PWs) bands (ev): -36.8547 -36.8547 -36.6971 -36.6971 -10.9286 -10.9286 -10.0941 -10.0941 1.4397 1.4397 3.6629 3.6629 3.6771 3.6771 5.3436 5.3436 5.3745 5.3745 5.6029 5.6029 6.5358 6.5358 6.5612 6.5612 6.8378 6.8378 8.2539 8.2539 8.3072 8.3072 10.5670 10.5670 14.7962 14.7962 15.8093 15.8093 k = 0.0254 0.0147-0.0000 ( 4953 PWs) bands (ev): -36.8545 -36.8545 -36.6972 -36.6972 -10.9266 -10.9266 -10.0938 -10.0938 1.4434 1.4434 3.6601 3.6601 3.6759 3.6759 5.3241 5.3241 5.3619 5.3619 5.6002 5.6002 6.5414 6.5414 6.5666 6.5666 6.8415 6.8415 8.2529 8.2529 8.3061 8.3061 10.5805 10.5805 14.8078 14.8078 15.8083 15.8083 k = 0.0339 0.0196-0.0000 ( 4961 PWs) bands (ev): -36.8543 -36.8543 -36.6972 -36.6972 -10.9239 -10.9239 -10.0935 -10.0935 1.4486 1.4486 3.6555 3.6555 3.6751 3.6751 5.2949 5.2949 5.3470 5.3470 5.5965 5.5965 6.5484 6.5484 6.5741 6.5741 6.8466 6.8466 8.2516 8.2516 8.3045 8.3045 10.5992 10.5992 14.8240 14.8240 15.8070 15.8070 k = 0.0424 0.0245-0.0000 ( 4959 PWs) bands (ev): -36.8539 -36.8539 -36.6973 -36.6973 -10.9203 -10.9203 -10.0931 -10.0931 1.4551 1.4551 3.6488 3.6488 3.6747 3.6747 5.2570 5.2570 5.3299 5.3299 5.5917 5.5917 6.5560 6.5560 6.5838 6.5838 6.8533 6.8533 8.2499 8.2499 8.3025 8.3025 10.6230 10.6230 14.8446 14.8446 15.8052 15.8052 k = 0.0508 0.0294-0.0000 ( 4965 PWs) bands (ev): -36.8535 -36.8535 -36.6974 -36.6974 -10.9160 -10.9160 -10.0926 -10.0926 1.4632 1.4632 3.6404 3.6404 3.6747 3.6747 5.2114 5.2114 5.3104 5.3104 5.5858 5.5858 6.5635 6.5635 6.5957 6.5957 6.8614 6.8614 8.2479 8.2479 8.3002 8.3002 10.6519 10.6519 14.8696 14.8696 15.8030 15.8030 k = 0.0593 0.0342-0.0000 ( 4961 PWs) bands (ev): -36.8530 -36.8530 -36.6976 -36.6976 -10.9110 -10.9110 -10.0920 -10.0920 1.4727 1.4727 3.6302 3.6302 3.6749 3.6749 5.1591 5.1591 5.2885 5.2885 5.5789 5.5789 6.5703 6.5703 6.6097 6.6097 6.8710 6.8710 8.2456 8.2456 8.2975 8.2975 10.6856 10.6856 14.8987 14.8987 15.8004 15.8004 k = 0.0678 0.0391-0.0000 ( 4953 PWs) bands (ev): -36.8524 -36.8524 -36.6977 -36.6977 -10.9052 -10.9052 -10.0914 -10.0914 1.4835 1.4835 3.6184 3.6184 3.6754 3.6754 5.1009 5.1009 5.2644 5.2644 5.5707 5.5707 6.5760 6.5760 6.6254 6.6254 6.8818 6.8818 8.2431 8.2431 8.2946 8.2946 10.7240 10.7240 14.9319 14.9319 15.7974 15.7974 k = 0.0763 0.0440-0.0000 ( 4955 PWs) bands (ev): -36.8517 -36.8517 -36.6979 -36.6979 -10.8986 -10.8986 -10.0907 -10.0907 1.4958 1.4958 3.6051 3.6051 3.6760 3.6760 5.0378 5.0378 5.2382 5.2382 5.5614 5.5614 6.5806 6.5806 6.6425 6.6425 6.8937 6.8937 8.2405 8.2405 8.2914 8.2914 10.7669 10.7669 14.9690 14.9690 15.7939 15.7939 k = 0.0847 0.0489-0.0000 ( 4967 PWs) bands (ev): -36.8510 -36.8510 -36.6981 -36.6981 -10.8913 -10.8913 -10.0899 -10.0899 1.5095 1.5095 3.5905 3.5905 3.6767 3.6767 4.9702 4.9702 5.2101 5.2101 5.5508 5.5508 6.5839 6.5839 6.6607 6.6607 6.9066 6.9066 8.2377 8.2377 8.2880 8.2880 10.8140 10.8140 15.0096 15.0096 15.7900 15.7900 k = 0.0932 0.0538-0.0000 ( 4971 PWs) bands (ev): -36.8502 -36.8502 -36.6983 -36.6983 -10.8833 -10.8833 -10.0890 -10.0890 1.5245 1.5245 3.5744 3.5744 3.6775 3.6775 4.8989 4.8989 5.1804 5.1804 5.5389 5.5389 6.5861 6.5861 6.6796 6.6796 6.9202 6.9202 8.2349 8.2349 8.2846 8.2846 10.8651 10.8651 15.0535 15.0535 15.7859 15.7859 k = 0.1017 0.0587-0.0000 ( 4971 PWs) bands (ev): -36.8493 -36.8493 -36.6986 -36.6986 -10.8746 -10.8746 -10.0880 -10.0880 1.5408 1.5408 3.5572 3.5572 3.6784 3.6784 4.8244 4.8244 5.1493 5.1493 5.5256 5.5256 6.5872 6.5872 6.6989 6.6989 6.9342 6.9342 8.2320 8.2320 8.2811 8.2811 10.9200 10.9200 15.1003 15.1003 15.7815 15.7815 k = 0.1102 0.0636-0.0000 ( 4971 PWs) bands (ev): -36.8483 -36.8483 -36.6988 -36.6988 -10.8652 -10.8652 -10.0871 -10.0871 1.5584 1.5584 3.5387 3.5387 3.6793 3.6793 4.7473 4.7473 5.1170 5.1170 5.5110 5.5110 6.5872 6.5872 6.7185 6.7185 6.9486 6.9486 8.2293 8.2293 8.2776 8.2776 10.9785 10.9785 15.1496 15.1496 15.7771 15.7771 k = 0.1186 0.0685-0.0000 ( 4975 PWs) bands (ev): -36.8473 -36.8473 -36.6991 -36.6991 -10.8552 -10.8552 -10.0860 -10.0860 1.5773 1.5773 3.5190 3.5190 3.6803 3.6803 4.6679 4.6679 5.0837 5.0837 5.4949 5.4949 6.5862 6.5862 6.7381 6.7381 6.9631 6.9631 8.2266 8.2266 8.2742 8.2742 11.0403 11.0403 15.2008 15.2008 15.7730 15.7730 k = 0.1271 0.0734-0.0000 ( 4979 PWs) bands (ev): -36.8462 -36.8462 -36.6994 -36.6994 -10.8445 -10.8445 -10.0849 -10.0849 1.5975 1.5975 3.4983 3.4983 3.6814 3.6814 4.5868 4.5868 5.0495 5.0495 5.4774 5.4774 6.5844 6.5844 6.7576 6.7576 6.9776 6.9776 8.2242 8.2242 8.2710 8.2710 11.1051 11.1051 15.2532 15.2532 15.7698 15.7698 k = 0.1356 0.0783-0.0000 ( 4979 PWs) bands (ev): -36.8451 -36.8451 -36.6998 -36.6998 -10.8331 -10.8331 -10.0838 -10.0838 1.6187 1.6187 3.4765 3.4765 3.6824 3.6824 4.5044 4.5044 5.0147 5.0147 5.4584 5.4584 6.5817 6.5817 6.7767 6.7767 6.9919 6.9919 8.2219 8.2219 8.2680 8.2680 11.1728 11.1728 15.3055 15.3055 15.7683 15.7683 k = 0.1441 0.0832-0.0000 ( 4980 PWs) bands (ev): -36.8438 -36.8438 -36.7001 -36.7001 -10.8212 -10.8212 -10.0826 -10.0826 1.6412 1.6412 3.4537 3.4537 3.6835 3.6835 4.4211 4.4211 4.9794 4.9794 5.4380 5.4380 6.5784 6.5784 6.7954 6.7954 7.0060 7.0060 8.2200 8.2200 8.2652 8.2652 11.2431 11.2431 15.3561 15.3561 15.7700 15.7700 k = 0.1525 0.0881-0.0000 ( 4966 PWs) bands (ev): -36.8425 -36.8425 -36.7005 -36.7005 -10.8087 -10.8087 -10.0814 -10.0814 1.6647 1.6647 3.4299 3.4299 3.6846 3.6846 4.3373 4.3373 4.9437 4.9437 5.4161 5.4161 6.5744 6.5744 6.8136 6.8136 7.0197 7.0197 8.2184 8.2184 8.2628 8.2628 11.3158 11.3158 15.4027 15.4027 15.7768 15.7768 k = 0.1610 0.0930-0.0000 ( 4958 PWs) bands (ev): -36.8412 -36.8412 -36.7009 -36.7009 -10.7956 -10.7956 -10.0802 -10.0802 1.6892 1.6892 3.4050 3.4050 3.6857 3.6857 4.2535 4.2535 4.9077 4.9077 5.3927 5.3927 6.5699 6.5699 6.8310 6.8310 7.0331 7.0331 8.2171 8.2171 8.2607 8.2607 11.3906 11.3906 15.4423 15.4423 15.7917 15.7917 k = 0.1695 0.0979-0.0000 ( 4962 PWs) bands (ev): -36.8398 -36.8398 -36.7013 -36.7013 -10.7820 -10.7820 -10.0790 -10.0790 1.7146 1.7146 3.3791 3.3791 3.6868 3.6868 4.1700 4.1700 4.8716 4.8716 5.3678 5.3678 6.5649 6.5649 6.8478 6.8478 7.0460 7.0460 8.2162 8.2162 8.2591 8.2591 11.4674 11.4674 15.4717 15.4717 15.8174 15.8174 k = 0.1780 0.1027-0.0000 ( 4970 PWs) bands (ev): -36.8383 -36.8383 -36.7018 -36.7018 -10.7679 -10.7679 -10.0778 -10.0778 1.7409 1.7409 3.3520 3.3520 3.6879 3.6879 4.0874 4.0874 4.8355 4.8355 5.3415 5.3415 6.5595 6.5595 6.8637 6.8637 7.0585 7.0585 8.2157 8.2157 8.2579 8.2579 11.5459 11.5459 15.4894 15.4894 15.8552 15.8552 k = 0.1864 0.1076-0.0000 ( 4970 PWs) bands (ev): -36.8368 -36.8368 -36.7023 -36.7023 -10.7533 -10.7533 -10.0766 -10.0766 1.7680 1.7680 3.3235 3.3235 3.6890 3.6890 4.0062 4.0062 4.7994 4.7994 5.3139 5.3139 6.5537 6.5537 6.8788 6.8788 7.0704 7.0704 8.2155 8.2155 8.2573 8.2573 11.6260 11.6260 15.4961 15.4961 15.9042 15.9042 k = 0.1949 0.1125-0.0000 ( 4974 PWs) bands (ev): -36.8353 -36.8353 -36.7028 -36.7028 -10.7382 -10.7382 -10.0755 -10.0755 1.7957 1.7957 3.2936 3.2936 3.6900 3.6900 3.9269 3.9269 4.7635 4.7635 5.2849 5.2849 6.5476 6.5476 6.8930 6.8930 7.0819 7.0819 8.2158 8.2158 8.2572 8.2572 11.7075 11.7075 15.4941 15.4941 15.9620 15.9620 k = 0.2034 0.1174-0.0000 ( 4966 PWs) bands (ev): -36.8337 -36.8337 -36.7033 -36.7033 -10.7228 -10.7228 -10.0743 -10.0743 1.8240 1.8240 3.2619 3.2619 3.6910 3.6910 3.8501 3.8501 4.7278 4.7278 5.2546 5.2546 6.5412 6.5412 6.9063 6.9063 7.0928 7.0928 8.2163 8.2163 8.2577 8.2577 11.7902 11.7902 15.4855 15.4855 16.0260 16.0260 k = 0.2119 0.1223-0.0000 ( 4968 PWs) bands (ev): -36.8320 -36.8320 -36.7039 -36.7039 -10.7069 -10.7069 -10.0732 -10.0732 1.8527 1.8527 3.2281 3.2281 3.6919 3.6919 3.7766 3.7766 4.6924 4.6924 5.2231 5.2231 6.5345 6.5345 6.9186 6.9186 7.1032 7.1032 8.2172 8.2172 8.2587 8.2587 11.8740 11.8740 15.4722 15.4722 16.0941 16.0941 k = 0.2203 0.1272-0.0000 ( 4966 PWs) bands (ev): -36.8303 -36.8303 -36.7045 -36.7045 -10.6907 -10.6907 -10.0722 -10.0722 1.8816 1.8816 3.1920 3.1920 3.6925 3.6925 3.7074 3.7074 4.6574 4.6574 5.1905 5.1905 6.5277 6.5277 6.9300 6.9300 7.1131 7.1131 8.2184 8.2184 8.2604 8.2604 11.9586 11.9586 15.4555 15.4555 16.1649 16.1649 k = 0.2288 0.1321-0.0000 ( 4966 PWs) bands (ev): -36.8286 -36.8286 -36.7051 -36.7051 -10.6742 -10.6742 -10.0712 -10.0712 1.9106 1.9106 3.1530 3.1530 3.6420 3.6420 3.6938 3.6938 4.6229 4.6229 5.1568 5.1568 6.5206 6.5206 6.9406 6.9406 7.1225 7.1225 8.2198 8.2198 8.2626 8.2626 12.0440 12.0440 15.4362 15.4362 16.2373 16.2373 k = 0.2373 0.1370-0.0000 ( 4962 PWs) bands (ev): -36.8268 -36.8268 -36.7058 -36.7058 -10.6574 -10.6574 -10.0703 -10.0703 1.9394 1.9394 3.1110 3.1110 3.5825 3.5825 3.6946 3.6946 4.5888 4.5888 5.1221 5.1221 6.5135 6.5135 6.9502 6.9502 7.1313 7.1313 8.2214 8.2214 8.2655 8.2655 12.1299 12.1299 15.4150 15.4150 16.3102 16.3102 k = 0.2458 0.1419-0.0000 ( 4950 PWs) bands (ev): -36.8250 -36.8250 -36.7064 -36.7064 -10.6403 -10.6403 -10.0695 -10.0695 1.9677 1.9677 3.0660 3.0660 3.5289 3.5289 3.6953 3.6953 4.5554 4.5554 5.0865 5.0865 6.5062 6.5062 6.9589 6.9589 7.1395 7.1395 8.2232 8.2232 8.2689 8.2689 12.2162 12.2162 15.3923 15.3923 16.3830 16.3830 k = 0.2542 0.1468-0.0000 ( 4946 PWs) bands (ev): -36.8232 -36.8232 -36.7071 -36.7071 -10.6230 -10.6230 -10.0688 -10.0688 1.9953 1.9953 3.0181 3.0181 3.4813 3.4813 3.6960 3.6960 4.5225 4.5225 5.0501 5.0501 6.4988 6.4988 6.9668 6.9668 7.1473 7.1473 8.2251 8.2251 8.2729 8.2729 12.3028 12.3028 15.3685 15.3685 16.4547 16.4547 k = 0.2627 0.1517-0.0000 ( 4948 PWs) bands (ev): -36.8214 -36.8214 -36.7079 -36.7079 -10.6056 -10.6056 -10.0683 -10.0683 2.0217 2.0217 2.9681 2.9681 3.4397 3.4397 3.6966 3.6966 4.4904 4.4904 5.0130 5.0130 6.4913 6.4913 6.9739 6.9739 7.1545 7.1545 8.2271 8.2271 8.2774 8.2774 12.3896 12.3896 15.3439 15.3439 16.5247 16.5247 k = 0.2712 0.1566-0.0000 ( 4946 PWs) bands (ev): -36.8195 -36.8195 -36.7086 -36.7086 -10.5880 -10.5880 -10.0678 -10.0678 2.0465 2.0465 2.9168 2.9168 3.4038 3.4038 3.6971 3.6971 4.4589 4.4589 4.9752 4.9752 6.4838 6.4838 6.9802 6.9802 7.1612 7.1612 8.2292 8.2292 8.2824 8.2824 12.4763 12.4763 15.3188 15.3188 16.5921 16.5921 k = 0.2797 0.1615-0.0000 ( 4940 PWs) bands (ev): -36.8176 -36.8176 -36.7094 -36.7094 -10.5703 -10.5703 -10.0675 -10.0675 2.0690 2.0690 2.8655 2.8655 3.3733 3.3733 3.6976 3.6976 4.4282 4.4282 4.9368 4.9368 6.4762 6.4762 6.9858 6.9858 7.1673 7.1673 8.2313 8.2313 8.2878 8.2878 12.5628 12.5628 15.2935 15.2935 16.6560 16.6560 k = 0.2881 0.1664-0.0000 ( 4946 PWs) bands (ev): -36.8157 -36.8157 -36.7102 -36.7102 -10.5525 -10.5525 -10.0674 -10.0674 2.0884 2.0884 2.8153 2.8153 3.3475 3.3475 3.6981 3.6981 4.3983 4.3983 4.8980 4.8980 6.4687 6.4687 6.9908 6.9908 7.1730 7.1730 8.2335 8.2335 8.2935 8.2935 12.6489 12.6489 15.2681 15.2681 16.7152 16.7152 k = 0.2966 0.1712-0.0000 ( 4950 PWs) bands (ev): -36.8138 -36.8138 -36.7110 -36.7110 -10.5347 -10.5347 -10.0674 -10.0674 2.1038 2.1038 2.7679 2.7679 3.3262 3.3262 3.6985 3.6985 4.3693 4.3693 4.8588 4.8588 6.4612 6.4612 6.9951 6.9951 7.1782 7.1782 8.2356 8.2356 8.2995 8.2995 12.7346 12.7346 15.2431 15.2431 16.7685 16.7685 k = 0.3051 0.1761-0.0000 ( 4956 PWs) bands (ev): -36.8119 -36.8119 -36.7119 -36.7119 -10.5169 -10.5169 -10.0677 -10.0677 2.1142 2.1142 2.7247 2.7247 3.3090 3.3090 3.6988 3.6988 4.3411 4.3411 4.8194 4.8194 6.4537 6.4537 6.9988 6.9988 7.1829 7.1829 8.2377 8.2377 8.3058 8.3058 12.8196 12.8196 15.2185 15.2185 16.8143 16.8143 k = 0.3136 0.1810-0.0000 ( 4960 PWs) bands (ev): -36.8100 -36.8100 -36.7128 -36.7128 -10.4992 -10.4992 -10.0681 -10.0681 2.1185 2.1185 2.6869 2.6869 3.2956 3.2956 3.6991 3.6991 4.3139 4.3139 4.7797 4.7797 6.4462 6.4462 7.0021 7.0021 7.1871 7.1871 8.2398 8.2398 8.3122 8.3122 12.9038 12.9038 15.1947 15.1947 16.8510 16.8510 k = 0.3220 0.1859-0.0000 ( 4952 PWs) bands (ev): -36.8080 -36.8080 -36.7137 -36.7137 -10.4815 -10.4815 -10.0687 -10.0687 2.1157 2.1157 2.6559 2.6559 3.2860 3.2860 3.6993 3.6993 4.2876 4.2876 4.7398 4.7398 6.4389 6.4389 7.0048 7.0048 7.1909 7.1909 8.2419 8.2419 8.3187 8.3187 12.9869 12.9869 15.1719 15.1719 16.8767 16.8767 k = 0.3305 0.1908-0.0000 ( 4952 PWs) bands (ev): -36.8061 -36.8061 -36.7146 -36.7146 -10.4640 -10.4640 -10.0696 -10.0696 2.1054 2.1054 2.6322 2.6322 3.2799 3.2799 3.6996 3.6996 4.2623 4.2623 4.7000 4.7000 6.4316 6.4316 7.0071 7.0071 7.1942 7.1942 8.2438 8.2438 8.3253 8.3253 13.0687 13.0687 15.1503 15.1503 16.8899 16.8899 k = 0.3390 0.1957-0.0000 ( 4952 PWs) bands (ev): -36.8042 -36.8042 -36.7155 -36.7155 -10.4466 -10.4466 -10.0708 -10.0708 2.0879 2.0879 2.6157 2.6157 3.2775 3.2775 3.6997 3.6997 4.2380 4.2380 4.6601 4.6601 6.4244 6.4244 7.0091 7.0091 7.1970 7.1970 8.2457 8.2457 8.3319 8.3319 13.1491 13.1491 15.1302 15.1302 16.8893 16.8893 k = 0.3475 0.2006-0.0000 ( 4956 PWs) bands (ev): -36.8023 -36.8023 -36.7165 -36.7165 -10.4295 -10.4295 -10.0722 -10.0722 2.0640 2.0640 2.6055 2.6055 3.2785 3.2785 3.6999 3.6999 4.2148 4.2148 4.6204 4.6204 6.4173 6.4173 7.0107 7.0107 7.1995 7.1995 8.2476 8.2476 8.3385 8.3385 13.2277 13.2277 15.1118 15.1118 16.8745 16.8745 k = 0.3559 0.2055-0.0000 ( 4952 PWs) bands (ev): -36.8005 -36.8005 -36.7174 -36.7174 -10.4125 -10.4125 -10.0738 -10.0738 2.0353 2.0353 2.6003 2.6003 3.2829 3.2829 3.7000 3.7000 4.1926 4.1926 4.5809 4.5809 6.4104 6.4104 7.0120 7.0120 7.2016 7.2016 8.2493 8.2493 8.3449 8.3449 13.3043 13.3043 15.0956 15.0956 16.8461 16.8461 k = 0.3644 0.2104-0.0000 ( 4964 PWs) bands (ev): -36.7987 -36.7987 -36.7184 -36.7184 -10.3959 -10.3959 -10.0758 -10.0758 2.0031 2.0031 2.5986 2.5986 3.2906 3.2906 3.7001 3.7001 4.1715 4.1715 4.5416 4.5416 6.4037 6.4037 7.0130 7.0130 7.2034 7.2034 8.2509 8.2509 8.3512 8.3512 13.3786 13.3786 15.0816 15.0816 16.8056 16.8056 k = 0.3729 0.2153-0.0000 ( 4958 PWs) bands (ev): -36.7969 -36.7969 -36.7193 -36.7193 -10.3795 -10.3795 -10.0781 -10.0781 1.9690 1.9690 2.5993 2.5993 3.3015 3.3015 3.7002 3.7002 4.1515 4.1515 4.5026 4.5026 6.3972 6.3972 7.0138 7.0138 7.2048 7.2048 8.2525 8.2525 8.3573 8.3573 13.4503 13.4503 15.0702 15.0702 16.7552 16.7552 k = 0.3814 0.2202-0.0000 ( 4950 PWs) bands (ev): -36.7951 -36.7951 -36.7203 -36.7203 -10.3635 -10.3635 -10.0806 -10.0806 1.9341 1.9341 2.6013 2.6013 3.3153 3.3153 3.7003 3.7003 4.1327 4.1327 4.4641 4.4641 6.3909 6.3909 7.0145 7.0145 7.2059 7.2059 8.2539 8.2539 8.3632 8.3632 13.5190 13.5190 15.0618 15.0618 16.6969 16.6969 k = 0.3898 0.2251-0.0000 ( 4944 PWs) bands (ev): -36.7934 -36.7934 -36.7212 -36.7212 -10.3479 -10.3479 -10.0835 -10.0835 1.8993 1.8993 2.6039 2.6039 3.3319 3.3319 3.7004 3.7004 4.1150 4.1150 4.4261 4.4261 6.3848 6.3848 7.0149 7.0149 7.2067 7.2067 8.2552 8.2552 8.3689 8.3689 13.5844 13.5844 15.0565 15.0565 16.6331 16.6331 k = 0.3983 0.2300-0.0000 ( 4944 PWs) bands (ev): -36.7918 -36.7918 -36.7222 -36.7222 -10.3328 -10.3328 -10.0867 -10.0867 1.8653 1.8653 2.6066 2.6066 3.3507 3.3507 3.7005 3.7005 4.0985 4.0985 4.3888 4.3888 6.3791 6.3791 7.0152 7.0152 7.2073 7.2073 8.2564 8.2564 8.3742 8.3742 13.6461 13.6461 15.0546 15.0546 16.5656 16.5656 k = 0.4068 0.2349-0.0000 ( 4946 PWs) bands (ev): -36.7902 -36.7902 -36.7231 -36.7231 -10.3181 -10.3181 -10.0903 -10.0903 1.8328 1.8328 2.6091 2.6091 3.3716 3.3716 3.7007 3.7007 4.0832 4.0832 4.3522 4.3522 6.3736 6.3736 7.0154 7.0154 7.2077 7.2077 8.2575 8.2575 8.3792 8.3792 13.7036 13.7036 15.0564 15.0564 16.4960 16.4960 k = 0.4153 0.2397-0.0000 ( 4942 PWs) bands (ev): -36.7888 -36.7888 -36.7240 -36.7240 -10.3039 -10.3039 -10.0941 -10.0941 1.8022 1.8022 2.6112 2.6112 3.3940 3.3940 3.7008 3.7008 4.0692 4.0692 4.3165 4.3165 6.3685 6.3685 7.0155 7.0155 7.2079 7.2079 8.2585 8.2585 8.3839 8.3839 13.7567 13.7567 15.0619 15.0619 16.4257 16.4257 k = 0.4237 0.2446-0.0000 ( 4950 PWs) bands (ev): -36.7874 -36.7874 -36.7248 -36.7248 -10.2903 -10.2903 -10.0983 -10.0983 1.7737 1.7737 2.6130 2.6130 3.4175 3.4175 3.7009 3.7009 4.0563 4.0563 4.2820 4.2820 6.3637 6.3637 7.0156 7.0156 7.2080 7.2080 8.2594 8.2594 8.3882 8.3882 13.8050 13.8050 15.0712 15.0712 16.3558 16.3558 k = 0.4322 0.2495-0.0000 ( 4950 PWs) bands (ev): -36.7861 -36.7861 -36.7256 -36.7256 -10.2773 -10.2773 -10.1027 -10.1027 1.7477 1.7477 2.6144 2.6144 3.4416 3.4416 3.7010 3.7010 4.0447 4.0447 4.2489 4.2489 6.3594 6.3594 7.0156 7.0156 7.2079 7.2079 8.2602 8.2602 8.3921 8.3921 13.8483 13.8483 15.0841 15.0841 16.2875 16.2875 k = 0.4407 0.2544-0.0000 ( 4944 PWs) bands (ev): -36.7849 -36.7849 -36.7264 -36.7264 -10.2649 -10.2649 -10.1074 -10.1074 1.7244 1.7244 2.6154 2.6154 3.4658 3.4658 3.7012 3.7012 4.0344 4.0344 4.2174 4.2174 6.3555 6.3555 7.0155 7.0155 7.2078 7.2078 8.2609 8.2609 8.3955 8.3955 13.8863 13.8863 15.1003 15.1003 16.2219 16.2219 k = 0.4492 0.2593-0.0000 ( 4940 PWs) bands (ev): -36.7838 -36.7838 -36.7270 -36.7270 -10.2534 -10.2534 -10.1122 -10.1122 1.7038 1.7038 2.6162 2.6162 3.4893 3.4893 3.7013 3.7013 4.0254 4.0254 4.1881 4.1881 6.3520 6.3520 7.0155 7.0155 7.2076 7.2076 8.2615 8.2615 8.3986 8.3986 13.9191 13.9191 15.1190 15.1190 16.1599 16.1599 k = 0.4576 0.2642-0.0000 ( 4952 PWs) bands (ev): -36.7829 -36.7829 -36.7277 -36.7277 -10.2429 -10.2429 -10.1171 -10.1171 1.6863 1.6863 2.6167 2.6167 3.5114 3.5114 3.7015 3.7015 4.0176 4.0176 4.1613 4.1613 6.3490 6.3490 7.0154 7.0154 7.2075 7.2075 8.2620 8.2620 8.4012 8.4012 13.9465 13.9465 15.1393 15.1393 16.1030 16.1030 k = 0.4661 0.2691-0.0000 ( 4956 PWs) bands (ev): -36.7821 -36.7821 -36.7282 -36.7282 -10.2334 -10.2334 -10.1219 -10.1219 1.6718 1.6718 2.6170 2.6170 3.5315 3.5315 3.7017 3.7017 4.0111 4.0111 4.1379 4.1379 6.3465 6.3465 7.0153 7.0153 7.2073 7.2073 8.2624 8.2624 8.4033 8.4033 13.9686 13.9686 15.1598 15.1598 16.0524 16.0524 k = 0.4746 0.2740-0.0000 ( 4960 PWs) bands (ev): -36.7815 -36.7815 -36.7286 -36.7286 -10.2253 -10.2253 -10.1263 -10.1263 1.6604 1.6604 2.6172 2.6172 3.5485 3.5485 3.7018 3.7018 4.0060 4.0060 4.1185 4.1185 6.3446 6.3446 7.0152 7.0152 7.2071 7.2071 8.2627 8.2627 8.4050 8.4050 13.9856 13.9856 15.1790 15.1790 16.0101 16.0101 k = 0.4831 0.2789-0.0000 ( 4960 PWs) bands (ev): -36.7811 -36.7811 -36.7289 -36.7289 -10.2191 -10.2191 -10.1299 -10.1299 1.6523 1.6523 2.6173 2.6173 3.5615 3.5615 3.7020 3.7020 4.0022 4.0022 4.1038 4.1038 6.3432 6.3432 7.0152 7.0152 7.2070 7.2070 8.2629 8.2629 8.4062 8.4062 13.9976 13.9976 15.1947 15.1947 15.9778 15.9778 k = 0.4915 0.2838-0.0000 ( 4960 PWs) bands (ev): -36.7808 -36.7808 -36.7291 -36.7291 -10.2150 -10.2150 -10.1324 -10.1324 1.6474 1.6474 2.6173 2.6173 3.5698 3.5698 3.7020 3.7020 3.9999 3.9999 4.0947 4.0947 6.3423 6.3423 7.0152 7.0152 7.2069 7.2069 8.2631 8.2631 8.4069 8.4069 14.0048 14.0048 15.2052 15.2052 15.9574 15.9574 k = 0.5000 0.2887-0.0000 ( 4970 PWs) bands (ev): -36.7807 -36.7807 -36.7291 -36.7291 -10.2136 -10.2136 -10.1333 -10.1333 1.6458 1.6458 2.6173 2.6173 3.5726 3.5726 3.7021 3.7021 3.9991 3.9991 4.0916 4.0916 6.3421 6.3421 7.0151 7.0151 7.2069 7.2069 8.2631 8.2631 8.4072 8.4072 14.0072 14.0072 15.2089 15.2089 15.9505 15.9505 k = 0.5000 0.2887-0.0000 ( 4970 PWs) bands (ev): -36.7807 -36.7807 -36.7291 -36.7291 -10.2136 -10.2136 -10.1333 -10.1333 1.6458 1.6458 2.6173 2.6173 3.5726 3.5726 3.7021 3.7021 3.9991 3.9991 4.0916 4.0916 6.3421 6.3421 7.0151 7.0151 7.2069 7.2069 8.2631 8.2631 8.4072 8.4072 14.0072 14.0072 15.2089 15.2089 15.9505 15.9505 k = 0.4951 0.2972-0.0000 ( 4962 PWs) bands (ev): -36.7807 -36.7807 -36.7291 -36.7291 -10.2135 -10.2135 -10.1332 -10.1332 1.6461 1.6461 2.6178 2.6178 3.5723 3.5723 3.7016 3.7016 3.9970 3.9970 4.0911 4.0911 6.3439 6.3439 7.0153 7.0153 7.2068 7.2068 8.2629 8.2629 8.4065 8.4065 14.0081 14.0081 15.2122 15.2122 15.9501 15.9501 k = 0.4902 0.3057-0.0000 ( 4962 PWs) bands (ev): -36.7806 -36.7806 -36.7292 -36.7292 -10.2132 -10.2132 -10.1330 -10.1330 1.6470 1.6470 2.6190 2.6190 3.5716 3.5716 3.7003 3.7003 3.9909 3.9909 4.0897 4.0897 6.3495 6.3495 7.0156 7.0156 7.2065 7.2065 8.2624 8.2624 8.4046 8.4046 14.0110 14.0110 15.2221 15.2221 15.9489 15.9489 k = 0.4853 0.3141-0.0000 ( 4954 PWs) bands (ev): -36.7805 -36.7805 -36.7293 -36.7293 -10.2126 -10.2126 -10.1325 -10.1325 1.6485 1.6485 2.6212 2.6212 3.5702 3.5702 3.6980 3.6980 3.9809 3.9809 4.0874 4.0874 6.3586 6.3586 7.0161 7.0161 7.2060 7.2060 8.2615 8.2615 8.4013 8.4013 14.0157 14.0157 15.2385 15.2385 15.9470 15.9470 k = 0.4804 0.3226-0.0000 ( 4950 PWs) bands (ev): -36.7803 -36.7803 -36.7294 -36.7294 -10.2119 -10.2119 -10.1320 -10.1320 1.6506 1.6506 2.6242 2.6242 3.5681 3.5681 3.6949 3.6949 3.9673 3.9673 4.0842 4.0842 6.3710 6.3710 7.0169 7.0169 7.2054 7.2054 8.2603 8.2603 8.3969 8.3969 14.0222 14.0222 15.2615 15.2615 15.9444 15.9444 k = 0.4755 0.3311-0.0000 ( 4950 PWs) bands (ev): -36.7800 -36.7800 -36.7296 -36.7296 -10.2110 -10.2110 -10.1312 -10.1312 1.6532 1.6532 2.6280 2.6280 3.5649 3.5649 3.6910 3.6910 3.9508 3.9508 4.0801 4.0801 6.3865 6.3865 7.0179 7.0179 7.2046 7.2046 8.2588 8.2588 8.3913 8.3913 14.0304 14.0304 15.2907 15.2907 15.9413 15.9413 k = 0.4706 0.3396-0.0000 ( 4950 PWs) bands (ev): -36.7797 -36.7797 -36.7298 -36.7298 -10.2099 -10.2099 -10.1303 -10.1303 1.6564 1.6564 2.6326 2.6326 3.5604 3.5604 3.6863 3.6863 3.9319 3.9319 4.0752 4.0752 6.4047 6.4047 7.0191 7.0191 7.2037 7.2037 8.2569 8.2569 8.3847 8.3847 14.0402 14.0402 15.3262 15.3262 15.9377 15.9377 k = 0.4657 0.3481-0.0000 ( 4954 PWs) bands (ev): -36.7793 -36.7793 -36.7301 -36.7301 -10.2085 -10.2085 -10.1293 -10.1293 1.6601 1.6601 2.6381 2.6381 3.5540 3.5540 3.6809 3.6809 3.9115 3.9115 4.0693 4.0693 6.4252 6.4252 7.0205 7.0205 7.2027 7.2027 8.2547 8.2547 8.3771 8.3771 14.0513 14.0513 15.3677 15.3677 15.9339 15.9339 k = 0.4608 0.3566-0.0000 ( 4960 PWs) bands (ev): -36.7789 -36.7789 -36.7304 -36.7304 -10.2070 -10.2070 -10.1281 -10.1281 1.6643 1.6643 2.6443 2.6443 3.5454 3.5454 3.6749 3.6749 3.8905 3.8905 4.0627 4.0627 6.4477 6.4477 7.0221 7.0221 7.2016 7.2016 8.2521 8.2521 8.3686 8.3686 14.0637 14.0637 15.4149 15.4149 15.9301 15.9301 k = 0.4559 0.3651-0.0000 ( 4962 PWs) bands (ev): -36.7784 -36.7784 -36.7307 -36.7307 -10.2053 -10.2053 -10.1269 -10.1269 1.6689 1.6689 2.6513 2.6513 3.5338 3.5338 3.6683 3.6683 3.8700 3.8700 4.0551 4.0551 6.4716 6.4716 7.0240 7.0240 7.2004 7.2004 8.2493 8.2493 8.3594 8.3594 14.0771 14.0771 15.4678 15.4678 15.9263 15.9263 k = 0.4510 0.3736-0.0000 ( 4958 PWs) bands (ev): -36.7778 -36.7778 -36.7311 -36.7311 -10.2034 -10.2034 -10.1255 -10.1255 1.6739 1.6739 2.6590 2.6590 3.5187 3.5187 3.6613 3.6613 3.8510 3.8510 4.0466 4.0466 6.4966 6.4966 7.0260 7.0260 7.1993 7.1993 8.2462 8.2462 8.3497 8.3497 14.0913 14.0913 15.5260 15.5260 15.9229 15.9229 k = 0.4461 0.3821-0.0000 ( 4960 PWs) bands (ev): -36.7772 -36.7772 -36.7315 -36.7315 -10.2014 -10.2014 -10.1241 -10.1241 1.6793 1.6793 2.6674 2.6674 3.4997 3.4997 3.6539 3.6539 3.8342 3.8342 4.0373 4.0373 6.5222 6.5222 7.0282 7.0282 7.1981 7.1981 8.2429 8.2429 8.3394 8.3394 14.1060 14.1060 15.5892 15.5892 15.9202 15.9202 k = 0.4412 0.3906-0.0000 ( 4962 PWs) bands (ev): -36.7766 -36.7766 -36.7319 -36.7319 -10.1991 -10.1991 -10.1226 -10.1226 1.6849 1.6849 2.6765 2.6765 3.4766 3.4766 3.6462 3.6462 3.8203 3.8203 4.0271 4.0271 6.5482 6.5482 7.0306 7.0306 7.1971 7.1971 8.2393 8.2393 8.3289 8.3289 14.1210 14.1210 15.6572 15.6572 15.9182 15.9182 k = 0.4363 0.3991-0.0000 ( 4962 PWs) bands (ev): -36.7759 -36.7759 -36.7324 -36.7324 -10.1967 -10.1967 -10.1210 -10.1210 1.6908 1.6908 2.6862 2.6862 3.4496 3.4496 3.6383 3.6383 3.8095 3.8095 4.0160 4.0160 6.5741 6.5741 7.0331 7.0331 7.1962 7.1962 8.2354 8.2354 8.3181 8.3181 14.1360 14.1360 15.7296 15.7296 15.9175 15.9175 k = 0.4314 0.4075-0.0000 ( 4958 PWs) bands (ev): -36.7751 -36.7751 -36.7329 -36.7329 -10.1941 -10.1941 -10.1194 -10.1194 1.6968 1.6968 2.6965 2.6965 3.4192 3.4192 3.6303 3.6303 3.8017 3.8017 4.0042 4.0042 6.5995 6.5995 7.0358 7.0358 7.1955 7.1955 8.2314 8.2314 8.3072 8.3072 14.1508 14.1508 15.8062 15.8062 15.9180 15.9180 k = 0.4265 0.4160-0.0000 ( 4958 PWs) bands (ev): -36.7744 -36.7744 -36.7335 -36.7335 -10.1914 -10.1914 -10.1179 -10.1179 1.7030 1.7030 2.7073 2.7073 3.3861 3.3861 3.6224 3.6224 3.7965 3.7965 3.9915 3.9915 6.6242 6.6242 7.0387 7.0387 7.1950 7.1950 8.2272 8.2272 8.2965 8.2965 14.1650 14.1650 15.8866 15.8866 15.9202 15.9202 k = 0.4216 0.4245-0.0000 ( 4958 PWs) bands (ev): -36.7735 -36.7735 -36.7341 -36.7341 -10.1886 -10.1886 -10.1163 -10.1163 1.7091 1.7091 2.7186 2.7186 3.3509 3.3509 3.6145 3.6145 3.7936 3.7936 3.9782 3.9782 6.6479 6.6479 7.0417 7.0417 7.1948 7.1948 8.2229 8.2229 8.2858 8.2858 14.1786 14.1786 15.9241 15.9241 15.9706 15.9706 k = 0.4167 0.4330-0.0000 ( 4954 PWs) bands (ev): -36.7726 -36.7726 -36.7348 -36.7348 -10.1856 -10.1856 -10.1148 -10.1148 1.7151 1.7151 2.7302 2.7302 3.3144 3.3144 3.6069 3.6069 3.7924 3.7924 3.9642 3.9642 6.6703 6.6703 7.0448 7.0448 7.1948 7.1948 8.2184 8.2184 8.2755 8.2755 14.1912 14.1912 15.9301 15.9301 16.0577 16.0577 k = 0.4118 0.4415-0.0000 ( 4946 PWs) bands (ev): -36.7717 -36.7717 -36.7355 -36.7355 -10.1824 -10.1824 -10.1134 -10.1134 1.7210 1.7210 2.7422 2.7422 3.2774 3.2774 3.5996 3.5996 3.7925 3.7925 3.9497 3.9497 6.6913 6.6913 7.0481 7.0481 7.1952 7.1952 8.2139 8.2139 8.2655 8.2655 14.2026 14.2026 15.9382 15.9382 16.1475 16.1475 k = 0.4069 0.4500-0.0000 ( 4950 PWs) bands (ev): -36.7707 -36.7707 -36.7362 -36.7362 -10.1792 -10.1792 -10.1121 -10.1121 1.7267 1.7267 2.7545 2.7545 3.2404 3.2404 3.5927 3.5927 3.7936 3.7936 3.9348 3.9348 6.7106 6.7106 7.0515 7.0515 7.1960 7.1960 8.2094 8.2094 8.2560 8.2560 14.2128 14.2128 15.9484 15.9484 16.2398 16.2398 k = 0.4020 0.4585-0.0000 ( 4950 PWs) bands (ev): -36.7697 -36.7697 -36.7370 -36.7370 -10.1758 -10.1758 -10.1109 -10.1109 1.7320 1.7320 2.7669 2.7669 3.2039 3.2039 3.5863 3.5863 3.7954 3.7954 3.9195 3.9195 6.7281 6.7281 7.0549 7.0549 7.1970 7.1970 8.2049 8.2049 8.2471 8.2471 14.2217 14.2217 15.9608 15.9608 16.3341 16.3341 k = 0.3971 0.4670-0.0000 ( 4944 PWs) bands (ev): -36.7686 -36.7686 -36.7378 -36.7378 -10.1724 -10.1724 -10.1098 -10.1098 1.7370 1.7370 2.7794 2.7794 3.1684 3.1684 3.5805 3.5805 3.7976 3.7976 3.9041 3.9041 6.7439 6.7439 7.0585 7.0585 7.1983 7.1983 8.2004 8.2004 8.2387 8.2387 14.2292 14.2292 15.9753 15.9753 16.4300 16.4300 k = 0.3922 0.4755-0.0000 ( 4948 PWs) bands (ev): -36.7675 -36.7675 -36.7387 -36.7387 -10.1689 -10.1689 -10.1090 -10.1090 1.7415 1.7415 2.7919 2.7919 3.1343 3.1343 3.5754 3.5754 3.8000 3.8000 3.8887 3.8887 6.7577 6.7577 7.0622 7.0622 7.1999 7.1999 8.1961 8.1961 8.2309 8.2309 14.2352 14.2352 15.9918 15.9918 16.5273 16.5273 k = 0.3873 0.4840-0.0000 ( 4946 PWs) bands (ev): -36.7664 -36.7664 -36.7396 -36.7396 -10.1652 -10.1652 -10.1083 -10.1083 1.7454 1.7454 2.8042 2.8042 3.1020 3.1020 3.5709 3.5709 3.8024 3.8024 3.8734 3.8734 6.7697 6.7697 7.0659 7.0659 7.2017 7.2017 8.1919 8.1919 8.2238 8.2238 14.2400 14.2400 16.0101 16.0101 16.6254 16.6254 k = 0.3824 0.4924-0.0000 ( 4946 PWs) bands (ev): -36.7653 -36.7653 -36.7405 -36.7405 -10.1615 -10.1615 -10.1079 -10.1079 1.7488 1.7488 2.8164 2.8164 3.0716 3.0716 3.5672 3.5672 3.8046 3.8046 3.8585 3.8585 6.7799 6.7799 7.0696 7.0696 7.2036 7.2036 8.1880 8.1880 8.2174 8.2174 14.2435 14.2435 16.0298 16.0298 16.7239 16.7239 k = 0.3775 0.5009-0.0000 ( 4950 PWs) bands (ev): -36.7641 -36.7641 -36.7415 -36.7415 -10.1578 -10.1578 -10.1078 -10.1078 1.7516 1.7516 2.8282 2.8282 3.0435 3.0435 3.5643 3.5643 3.8063 3.8063 3.8442 3.8442 6.7884 6.7884 7.0732 7.0732 7.2055 7.2055 8.1844 8.1844 8.2116 8.2116 14.2459 14.2459 16.0507 16.0507 16.8225 16.8225 k = 0.3725 0.5094-0.0000 ( 4938 PWs) bands (ev): -36.7628 -36.7628 -36.7425 -36.7425 -10.1540 -10.1540 -10.1079 -10.1079 1.7537 1.7537 2.8396 2.8396 3.0178 3.0178 3.5622 3.5622 3.8075 3.8075 3.8310 3.8310 6.7953 6.7953 7.0767 7.0767 7.2075 7.2075 8.1811 8.1811 8.2065 8.2065 14.2474 14.2474 16.0723 16.0723 16.9205 16.9205 k = 0.3676 0.5179-0.0000 ( 4940 PWs) bands (ev): -36.7616 -36.7616 -36.7436 -36.7436 -10.1502 -10.1502 -10.1084 -10.1084 1.7553 1.7553 2.8504 2.8504 2.9946 2.9946 3.5608 3.5608 3.8074 3.8074 3.8194 3.8194 6.8009 6.8009 7.0801 7.0801 7.2093 7.2093 8.1783 8.1783 8.2019 8.2019 14.2482 14.2482 16.0941 16.0941 17.0176 17.0176 k = 0.3627 0.5264-0.0000 ( 4944 PWs) bands (ev): -36.7603 -36.7603 -36.7447 -36.7447 -10.1463 -10.1463 -10.1093 -10.1093 1.7563 1.7563 2.8606 2.8606 2.9741 2.9741 3.5601 3.5601 3.8037 3.8037 3.8122 3.8122 6.8052 6.8052 7.0832 7.0832 7.2110 7.2110 8.1759 8.1759 8.1980 8.1980 14.2483 14.2483 16.1156 16.1156 17.1132 17.1132 k = 0.3578 0.5349-0.0000 ( 4944 PWs) bands (ev): -36.7590 -36.7590 -36.7459 -36.7459 -10.1425 -10.1425 -10.1105 -10.1105 1.7568 1.7568 2.8700 2.8700 2.9562 2.9562 3.5599 3.5599 3.7962 3.7962 3.8098 3.8098 6.8084 6.8084 7.0860 7.0860 7.2124 7.2124 8.1740 8.1740 8.1946 8.1946 14.2480 14.2480 16.1361 16.1361 17.2069 17.2069 k = 0.3529 0.5434-0.0000 ( 4948 PWs) bands (ev): -36.7577 -36.7577 -36.7471 -36.7471 -10.1386 -10.1386 -10.1121 -10.1121 1.7569 1.7569 2.8786 2.8786 2.9410 2.9410 3.5601 3.5601 3.7896 3.7896 3.8077 3.8077 6.8107 6.8107 7.0884 7.0884 7.2136 7.2136 8.1726 8.1726 8.1918 8.1918 14.2475 14.2475 16.1549 16.1549 17.2981 17.2981 k = 0.3480 0.5519-0.0000 ( 4944 PWs) bands (ev): -36.7564 -36.7564 -36.7483 -36.7483 -10.1348 -10.1348 -10.1142 -10.1142 1.7567 1.7567 2.8864 2.8864 2.9284 2.9284 3.5605 3.5605 3.7852 3.7852 3.8050 3.8050 6.8123 6.8123 7.0903 7.0903 7.2146 7.2146 8.1716 8.1716 8.1895 8.1895 14.2470 14.2470 16.1713 16.1713 17.3863 17.3863 k = 0.3431 0.5604-0.0000 ( 4940 PWs) bands (ev): -36.7550 -36.7550 -36.7496 -36.7496 -10.1310 -10.1310 -10.1166 -10.1166 1.7563 1.7563 2.8931 2.8931 2.9184 2.9184 3.5609 3.5609 3.7834 3.7834 3.8014 3.8014 6.8132 6.8132 7.0917 7.0917 7.2153 7.2153 8.1710 8.1710 8.1879 8.1879 14.2464 14.2464 16.1843 16.1843 17.4708 17.4708 k = 0.3382 0.5689-0.0000 ( 4930 PWs) bands (ev): -36.7536 -36.7536 -36.7509 -36.7509 -10.1272 -10.1272 -10.1195 -10.1195 1.7560 1.7560 2.8985 2.8985 2.9111 2.9111 3.5612 3.5612 3.7846 3.7846 3.7969 3.7969 6.8137 6.8137 7.0926 7.0926 7.2157 7.2157 8.1708 8.1708 8.1868 8.1868 14.2461 14.2461 16.1930 16.1930 17.5508 17.5508 k = 0.3333 0.5774-0.0000 ( 4920 PWs) bands (ev): -36.7523 -36.7523 -36.7523 -36.7523 -10.1245 -10.1245 -10.1220 -10.1220 1.7558 1.7558 2.9012 2.9012 2.9079 2.9079 3.5613 3.5613 3.7872 3.7872 3.7932 3.7932 6.8139 6.8139 7.0929 7.0929 7.2158 7.2158 8.1707 8.1707 8.1864 8.1864 14.2459 14.2459 16.1961 16.1961 17.6097 17.6097 k = 0.3333 0.5774-0.0000 ( 4920 PWs) bands (ev): -36.7523 -36.7523 -36.7523 -36.7523 -10.1245 -10.1245 -10.1220 -10.1220 1.7558 1.7558 2.9012 2.9012 2.9079 2.9079 3.5613 3.5613 3.7872 3.7872 3.7932 3.7932 6.8139 6.8139 7.0929 7.0929 7.2158 7.2158 8.1707 8.1707 8.1864 8.1864 14.2459 14.2459 16.1961 16.1961 17.6097 17.6097 k = 0.3284 0.5689-0.0000 ( 4934 PWs) bands (ev): -36.7537 -36.7537 -36.7509 -36.7509 -10.1275 -10.1275 -10.1193 -10.1193 1.7561 1.7561 2.8997 2.8997 2.9099 2.9099 3.5612 3.5612 3.7826 3.7826 3.7989 3.7989 6.8138 6.8138 7.0926 7.0926 7.2157 7.2157 8.1708 8.1708 8.1868 8.1868 14.2461 14.2461 16.1926 16.1926 17.5555 17.5555 k = 0.3235 0.5604-0.0000 ( 4938 PWs) bands (ev): -36.7551 -36.7551 -36.7495 -36.7495 -10.1319 -10.1319 -10.1158 -10.1158 1.7568 1.7568 2.8983 2.8983 2.9128 2.9128 3.5611 3.5611 3.7748 3.7748 3.8100 3.8100 6.8135 6.8135 7.0917 7.0917 7.2153 7.2153 8.1707 8.1707 8.1880 8.1880 14.2465 14.2465 16.1812 16.1812 17.4913 17.4913 k = 0.3186 0.5519-0.0000 ( 4938 PWs) bands (ev): -36.7566 -36.7566 -36.7481 -36.7481 -10.1370 -10.1370 -10.1122 -10.1122 1.7584 1.7584 2.8982 2.8982 2.9151 2.9151 3.5612 3.5612 3.7657 3.7657 3.8244 3.8244 6.8130 6.8130 7.0903 7.0903 7.2147 7.2147 8.1706 8.1706 8.1899 8.1899 14.2471 14.2471 16.1612 16.1612 17.4349 17.4349 k = 0.3137 0.5434-0.0000 ( 4938 PWs) bands (ev): -36.7581 -36.7581 -36.7467 -36.7467 -10.1427 -10.1427 -10.1087 -10.1087 1.7608 1.7608 2.8992 2.8992 2.9169 2.9169 3.5617 3.5617 3.7555 3.7555 3.8417 3.8417 6.8124 6.8124 7.0885 7.0885 7.2140 7.2140 8.1704 8.1704 8.1926 8.1926 14.2478 14.2478 16.1318 16.1318 17.3882 17.3882 k = 0.3088 0.5349-0.0000 ( 4940 PWs) bands (ev): -36.7597 -36.7597 -36.7453 -36.7453 -10.1489 -10.1489 -10.1052 -10.1052 1.7643 1.7643 2.9013 2.9013 2.9180 2.9180 3.5629 3.5629 3.7443 3.7443 3.8617 3.8617 6.8117 6.8117 7.0862 7.0862 7.2130 7.2130 8.1702 8.1702 8.1958 8.1958 14.2484 14.2484 16.0930 16.0930 17.3523 17.3523 k = 0.3039 0.5264-0.0000 ( 4944 PWs) bands (ev): -36.7613 -36.7613 -36.7438 -36.7438 -10.1558 -10.1558 -10.1019 -10.1019 1.7691 1.7691 2.9041 2.9041 2.9188 2.9188 3.5648 3.5648 3.7323 3.7323 3.8842 3.8842 6.8109 6.8109 7.0836 7.0836 7.2119 7.2119 8.1699 8.1699 8.1995 8.1995 14.2487 14.2487 16.0453 16.0453 17.3272 17.3272 k = 0.2990 0.5179-0.0000 ( 4945 PWs) bands (ev): -36.7629 -36.7629 -36.7424 -36.7424 -10.1632 -10.1632 -10.0987 -10.0987 1.7753 1.7753 2.9074 2.9074 2.9191 2.9191 3.5678 3.5678 3.7195 3.7195 3.9088 3.9088 6.8099 6.8099 7.0807 7.0807 7.2106 7.2106 8.1695 8.1695 8.2037 8.2037 14.2484 14.2484 15.9900 15.9900 17.3126 17.3126 k = 0.2941 0.5094-0.0000 ( 4949 PWs) bands (ev): -36.7646 -36.7646 -36.7410 -36.7410 -10.1712 -10.1712 -10.0955 -10.0955 1.7831 1.7831 2.9108 2.9108 2.9194 2.9194 3.5719 3.5719 3.7062 3.7062 3.9354 3.9354 6.8088 6.8088 7.0778 7.0778 7.2091 7.2091 8.1690 8.1690 8.2082 8.2082 14.2471 14.2471 15.9285 15.9285 17.3077 17.3077 k = 0.2892 0.5009-0.0000 ( 4951 PWs) bands (ev): -36.7663 -36.7663 -36.7396 -36.7396 -10.1799 -10.1799 -10.0925 -10.0925 1.7924 1.7924 2.9137 2.9137 2.9199 2.9199 3.5774 3.5774 3.6925 3.6925 3.9638 3.9638 6.8075 6.8075 7.0748 7.0748 7.2074 7.2074 8.1686 8.1686 8.2130 8.2130 14.2443 14.2443 15.8626 15.8626 17.3115 17.3115 k = 0.2843 0.4924-0.0000 ( 4955 PWs) bands (ev): -36.7681 -36.7681 -36.7382 -36.7382 -10.1891 -10.1891 -10.0896 -10.0896 1.8035 1.8035 2.9155 2.9155 2.9212 2.9212 3.5842 3.5842 3.6786 3.6786 3.9938 3.9938 6.8059 6.8059 7.0718 7.0718 7.2055 7.2055 8.1680 8.1680 8.2180 8.2180 14.2394 14.2394 15.7942 15.7942 17.3230 17.3230 k = 0.2794 0.4840-0.0000 ( 4955 PWs) bands (ev): -36.7698 -36.7698 -36.7369 -36.7369 -10.1989 -10.1989 -10.0868 -10.0868 1.8164 1.8164 2.9163 2.9163 2.9230 2.9230 3.5924 3.5924 3.6649 3.6649 4.0253 4.0253 6.8039 6.8039 7.0691 7.0691 7.2035 7.2035 8.1674 8.1674 8.2231 8.2231 14.2318 14.2318 15.7252 15.7252 17.3412 17.3412 k = 0.2745 0.4755-0.0000 ( 4951 PWs) bands (ev): -36.7716 -36.7716 -36.7355 -36.7355 -10.2094 -10.2094 -10.0842 -10.0842 1.8311 1.8311 2.9166 2.9166 2.9246 2.9246 3.6022 3.6022 3.6515 3.6515 4.0580 4.0580 6.8016 6.8016 7.0666 7.0666 7.2013 7.2013 8.1667 8.1667 8.2282 8.2282 14.2206 14.2206 15.6573 15.6573 17.3654 17.3654 k = 0.2696 0.4670-0.0000 ( 4955 PWs) bands (ev): -36.7734 -36.7734 -36.7341 -36.7341 -10.2204 -10.2204 -10.0817 -10.0817 1.8476 1.8476 2.9170 2.9170 2.9254 2.9254 3.6134 3.6134 3.6388 3.6388 4.0919 4.0919 6.7989 6.7989 7.0643 7.0643 7.1990 7.1990 8.1660 8.1660 8.2334 8.2334 14.2050 14.2050 15.5923 15.5923 17.3949 17.3949 k = 0.2647 0.4585-0.0000 ( 4951 PWs) bands (ev): -36.7753 -36.7753 -36.7328 -36.7328 -10.2320 -10.2320 -10.0794 -10.0794 1.8660 1.8660 2.9175 2.9175 2.9251 2.9251 3.6242 3.6242 3.6288 3.6288 4.1269 4.1269 6.7957 6.7957 7.0624 7.0624 7.1965 7.1965 8.1652 8.1652 8.2385 8.2385 14.1841 14.1841 15.5316 15.5316 17.4291 17.4291 k = 0.2598 0.4500-0.0000 ( 4951 PWs) bands (ev): -36.7772 -36.7772 -36.7314 -36.7314 -10.2441 -10.2441 -10.0772 -10.0772 1.8861 1.8861 2.9180 2.9180 2.9239 2.9239 3.6155 3.6155 3.6411 3.6411 4.1629 4.1629 6.7921 6.7921 7.0607 7.0607 7.1939 7.1939 8.1643 8.1643 8.2436 8.2436 14.1572 14.1572 15.4766 15.4766 17.4676 17.4676 k = 0.2549 0.4415-0.0000 ( 4941 PWs) bands (ev): -36.7791 -36.7791 -36.7301 -36.7301 -10.2569 -10.2569 -10.0752 -10.0752 1.9079 1.9079 2.9171 2.9171 2.9233 2.9233 3.6061 3.6061 3.6570 3.6570 4.1996 4.1996 6.7880 6.7880 7.0593 7.0593 7.1913 7.1913 8.1634 8.1634 8.2485 8.2485 14.1235 14.1235 15.4284 15.4284 17.5100 17.5100 k = 0.2500 0.4330-0.0000 ( 4945 PWs) bands (ev): -36.7810 -36.7810 -36.7288 -36.7288 -10.2701 -10.2701 -10.0733 -10.0733 1.9312 1.9312 2.9131 2.9131 2.9247 2.9247 3.5981 3.5981 3.6745 3.6745 4.2372 4.2372 6.7835 6.7835 7.0581 7.0581 7.1886 7.1886 8.1624 8.1624 8.2532 8.2532 14.0826 14.0826 15.3876 15.3876 17.5559 17.5559 k = 0.2451 0.4245-0.0000 ( 4949 PWs) bands (ev): -36.7830 -36.7830 -36.7275 -36.7275 -10.2838 -10.2838 -10.0715 -10.0715 1.9558 1.9558 2.9070 2.9070 2.9276 2.9276 3.5917 3.5917 3.6936 3.6936 4.2754 4.2754 6.7786 6.7786 7.0570 7.0570 7.1859 7.1859 8.1614 8.1614 8.2576 8.2576 14.0343 14.0343 15.3546 15.3546 17.6048 17.6048 k = 0.2402 0.4160-0.0000 ( 4949 PWs) bands (ev): -36.7849 -36.7849 -36.7263 -36.7263 -10.2981 -10.2981 -10.0700 -10.0700 1.9816 1.9816 2.8996 2.8996 2.9313 2.9313 3.5870 3.5870 3.7142 3.7142 4.3142 4.3142 6.7733 6.7733 7.0559 7.0559 7.1833 7.1833 8.1604 8.1604 8.2618 8.2618 13.9788 13.9788 15.3295 15.3295 17.6555 17.6555 k = 0.2353 0.4075-0.0000 ( 4949 PWs) bands (ev): -36.7869 -36.7869 -36.7250 -36.7250 -10.3128 -10.3128 -10.0685 -10.0685 2.0081 2.0081 2.8913 2.8913 2.9360 2.9360 3.5840 3.5840 3.7364 3.7364 4.3536 4.3536 6.7677 6.7677 7.0547 7.0547 7.1808 7.1808 8.1594 8.1594 8.2656 8.2656 13.9165 13.9165 15.3117 15.3117 17.6928 17.6928 k = 0.2304 0.3991-0.0000 ( 4953 PWs) bands (ev): -36.7889 -36.7889 -36.7238 -36.7238 -10.3279 -10.3279 -10.0673 -10.0673 2.0350 2.0350 2.8826 2.8826 2.9415 2.9415 3.5826 3.5826 3.7601 3.7601 4.3933 4.3933 6.7619 6.7619 7.0532 7.0532 7.1784 7.1784 8.1584 8.1584 8.2691 8.2691 13.8481 13.8481 15.3008 15.3008 17.6417 17.6417 k = 0.2255 0.3906-0.0000 ( 4957 PWs) bands (ev): -36.7910 -36.7910 -36.7226 -36.7226 -10.3435 -10.3435 -10.0662 -10.0662 2.0616 2.0616 2.8743 2.8743 2.9480 2.9480 3.5827 3.5827 3.7852 3.7852 4.4334 4.4334 6.7559 6.7559 7.0513 7.0513 7.1762 7.1762 8.1575 8.1575 8.2722 8.2722 13.7744 13.7744 15.2960 15.2960 17.5706 17.5706 k = 0.2206 0.3821-0.0000 ( 4957 PWs) bands (ev): -36.7930 -36.7930 -36.7215 -36.7215 -10.3594 -10.3594 -10.0652 -10.0652 2.0873 2.0873 2.8672 2.8672 2.9554 2.9554 3.5843 3.5843 3.8118 3.8118 4.4738 4.4738 6.7498 6.7498 7.0489 7.0489 7.1743 7.1743 8.1567 8.1567 8.2749 8.2749 13.6962 13.6962 15.2964 15.2964 17.4970 17.4970 k = 0.2157 0.3736-0.0000 ( 4965 PWs) bands (ev): -36.7950 -36.7950 -36.7203 -36.7203 -10.3757 -10.3757 -10.0644 -10.0644 2.1113 2.1113 2.8623 2.8623 2.9638 2.9638 3.5870 3.5870 3.8399 3.8399 4.5144 4.5144 6.7436 6.7436 7.0459 7.0459 7.1725 7.1725 8.1559 8.1559 8.2772 8.2772 13.6142 13.6142 15.3013 15.3013 17.4223 17.4223 k = 0.2108 0.3651-0.0000 ( 4957 PWs) bands (ev): -36.7970 -36.7970 -36.7192 -36.7192 -10.3923 -10.3923 -10.0638 -10.0638 2.1326 2.1326 2.8607 2.8607 2.9731 2.9731 3.5908 3.5908 3.8693 3.8693 4.5552 4.5552 6.7375 6.7375 7.0423 7.0423 7.1709 7.1709 8.1553 8.1553 8.2791 8.2791 13.5291 13.5291 15.3099 15.3099 17.3467 17.3467 k = 0.2059 0.3566-0.0000 ( 4957 PWs) bands (ev): -36.7991 -36.7991 -36.7181 -36.7181 -10.4093 -10.4093 -10.0633 -10.0633 2.1504 2.1504 2.8636 2.8636 2.9834 2.9834 3.5955 3.5955 3.9001 3.9001 4.5961 4.5961 6.7314 6.7314 7.0379 7.0379 7.1696 7.1696 8.1549 8.1549 8.2805 8.2805 13.4417 13.4417 15.3216 15.3216 17.2703 17.2703 k = 0.2010 0.3481-0.0000 ( 4957 PWs) bands (ev): -36.8011 -36.8011 -36.7170 -36.7170 -10.4264 -10.4264 -10.0630 -10.0630 2.1635 2.1635 2.8721 2.8721 2.9947 2.9947 3.6009 3.6009 3.9322 3.9322 4.6369 4.6369 6.7254 6.7254 7.0327 7.0327 7.1683 7.1683 8.1547 8.1547 8.2815 8.2815 13.3523 13.3523 15.3358 15.3358 17.1934 17.1934 k = 0.1961 0.3396-0.0000 ( 4957 PWs) bands (ev): -36.8032 -36.8032 -36.7160 -36.7160 -10.4438 -10.4438 -10.0627 -10.0627 2.1714 2.1714 2.8871 2.8871 3.0069 3.0069 3.6068 3.6068 3.9656 3.9656 4.6777 4.6777 6.7196 6.7196 7.0268 7.0268 7.1670 7.1670 8.1546 8.1546 8.2821 8.2821 13.2615 13.2615 15.3519 15.3519 17.1160 17.1160 k = 0.1912 0.3311-0.0000 ( 4951 PWs) bands (ev): -36.8052 -36.8052 -36.7150 -36.7150 -10.4614 -10.4614 -10.0627 -10.0627 2.1736 2.1736 2.9091 2.9091 3.0201 3.0201 3.6132 3.6132 4.0003 4.0003 4.7184 4.7184 6.7139 6.7139 7.0202 7.0202 7.1657 7.1657 8.1548 8.1548 8.2823 8.2823 13.1696 13.1696 15.3696 15.3696 17.0382 17.0382 k = 0.1863 0.3226-0.0000 ( 4953 PWs) bands (ev): -36.8072 -36.8072 -36.7140 -36.7140 -10.4791 -10.4791 -10.0627 -10.0627 2.1701 2.1701 2.9382 2.9382 3.0342 3.0342 3.6199 3.6199 4.0361 4.0361 4.7589 4.7589 6.7085 6.7085 7.0128 7.0128 7.1643 7.1643 8.1553 8.1553 8.2820 8.2820 13.0769 13.0769 15.3885 15.3885 16.9601 16.9601 k = 0.1814 0.3141-0.0000 ( 4953 PWs) bands (ev): -36.8093 -36.8093 -36.7131 -36.7131 -10.4969 -10.4969 -10.0629 -10.0629 2.1613 2.1613 2.9743 2.9743 3.0492 3.0492 3.6267 3.6267 4.0730 4.0730 4.7991 4.7991 6.7033 6.7033 7.0048 7.0048 7.1626 7.1626 8.1560 8.1560 8.2814 8.2814 12.9838 12.9838 15.4082 15.4082 16.8817 16.8817 k = 0.1765 0.3057-0.0000 ( 4949 PWs) bands (ev): -36.8113 -36.8113 -36.7121 -36.7121 -10.5148 -10.5148 -10.0632 -10.0632 2.1477 2.1477 3.0167 3.0167 3.0651 3.0651 3.6337 3.6337 4.1111 4.1111 4.8390 4.8390 6.6984 6.6984 6.9961 6.9961 7.1607 7.1607 8.1570 8.1570 8.2804 8.2804 12.8904 12.8904 15.4285 15.4285 16.8031 16.8031 k = 0.1716 0.2972-0.0000 ( 4953 PWs) bands (ev): -36.8133 -36.8133 -36.7112 -36.7112 -10.5328 -10.5328 -10.0637 -10.0637 2.1300 2.1300 3.0646 3.0646 3.0820 3.0820 3.6407 3.6407 4.1502 4.1502 4.8785 4.8785 6.6938 6.6938 6.9869 6.9869 7.1583 7.1583 8.1583 8.1583 8.2791 8.2791 12.7969 12.7969 15.4491 15.4491 16.7244 16.7244 k = 0.1667 0.2887-0.0000 ( 4957 PWs) bands (ev): -36.8153 -36.8153 -36.7104 -36.7104 -10.5507 -10.5507 -10.0642 -10.0642 2.1090 2.1090 3.0988 3.0988 3.1185 3.1185 3.6477 3.6477 4.1902 4.1902 4.9175 4.9175 6.6894 6.6894 6.9770 6.9770 7.1555 7.1555 8.1599 8.1599 8.2775 8.2775 12.7036 12.7036 15.4699 15.4699 16.6457 16.6457 k = 0.1618 0.2802-0.0000 ( 4961 PWs) bands (ev): -36.8172 -36.8172 -36.7096 -36.7096 -10.5686 -10.5686 -10.0648 -10.0648 2.0853 2.0853 3.1172 3.1172 3.1757 3.1757 3.6549 3.6549 4.2311 4.2311 4.9560 4.9560 6.6853 6.6853 6.9667 6.9667 7.1522 7.1522 8.1618 8.1618 8.2756 8.2756 12.6104 12.6104 15.4906 15.4906 16.5670 16.5670 k = 0.1569 0.2717-0.0000 ( 4965 PWs) bands (ev): -36.8192 -36.8192 -36.7088 -36.7088 -10.5864 -10.5864 -10.0656 -10.0656 2.0596 2.0596 3.1362 3.1362 3.2366 3.2366 3.6622 3.6622 4.2729 4.2729 4.9938 4.9938 6.6815 6.6815 6.9558 6.9558 7.1484 7.1484 8.1641 8.1641 8.2736 8.2736 12.5177 12.5177 15.5111 15.5111 16.4884 16.4884 k = 0.1520 0.2632-0.0000 ( 4965 PWs) bands (ev): -36.8211 -36.8211 -36.7080 -36.7080 -10.6042 -10.6042 -10.0664 -10.0664 2.0323 2.0323 3.1559 3.1559 3.3003 3.3003 3.6698 3.6698 4.3154 4.3154 5.0310 5.0310 6.6780 6.6780 6.9444 6.9444 7.1439 7.1439 8.1666 8.1666 8.2714 8.2714 12.4254 12.4254 15.5313 15.5313 16.4099 16.4099 k = 0.1471 0.2547-0.0000 ( 4961 PWs) bands (ev): -36.8230 -36.8230 -36.7072 -36.7072 -10.6217 -10.6217 -10.0673 -10.0673 2.0039 2.0039 3.1761 3.1761 3.3660 3.3660 3.6783 3.6783 4.3585 4.3585 5.0674 5.0674 6.6747 6.6747 6.9325 6.9325 7.1389 7.1389 8.1694 8.1694 8.2692 8.2692 12.3338 12.3338 15.5511 15.5511 16.3318 16.3318 k = 0.1422 0.2462-0.0000 ( 4953 PWs) bands (ev): -36.8248 -36.8248 -36.7065 -36.7065 -10.6391 -10.6391 -10.0682 -10.0682 1.9747 1.9747 3.1968 3.1968 3.4322 3.4322 3.6885 3.6885 4.4023 4.4023 5.1030 5.1030 6.6717 6.6717 6.9203 6.9203 7.1331 7.1331 8.1725 8.1725 8.2670 8.2670 12.2428 12.2428 15.5703 15.5703 16.2539 16.2539 k = 0.1373 0.2377-0.0000 ( 4945 PWs) bands (ev): -36.8266 -36.8266 -36.7058 -36.7058 -10.6562 -10.6562 -10.0693 -10.0693 1.9451 1.9451 3.2180 3.2180 3.4968 3.4968 3.7022 3.7022 4.4466 4.4466 5.1377 5.1377 6.6689 6.6689 6.9076 6.9076 7.1267 7.1267 8.1758 8.1758 8.2648 8.2648 12.1526 12.1526 15.5889 15.5889 16.1765 16.1765 k = 0.1324 0.2292-0.0000 ( 4945 PWs) bands (ev): -36.8284 -36.8284 -36.7052 -36.7052 -10.6731 -10.6731 -10.0704 -10.0704 1.9153 1.9153 3.2397 3.2397 3.5553 3.5553 3.7236 3.7236 4.4913 4.4913 5.1714 5.1714 6.6663 6.6663 6.8945 6.8945 7.1195 7.1195 8.1793 8.1793 8.2627 8.2627 12.0634 12.0634 15.6069 15.6069 16.0997 16.0997 k = 0.1275 0.2208-0.0000 ( 4945 PWs) bands (ev): -36.8302 -36.8302 -36.7045 -36.7045 -10.6898 -10.6898 -10.0715 -10.0715 1.8855 1.8855 3.2617 3.2617 3.6008 3.6008 3.7594 3.7594 4.5363 4.5363 5.2041 5.2041 6.6639 6.6639 6.8810 6.8810 7.1117 7.1117 8.1831 8.1831 8.2608 8.2608 11.9751 11.9751 15.6241 15.6241 16.0235 16.0235 k = 0.1225 0.2123-0.0000 ( 4943 PWs) bands (ev): -36.8319 -36.8319 -36.7039 -36.7039 -10.7060 -10.7060 -10.0727 -10.0727 1.8559 1.8559 3.2839 3.2839 3.6297 3.6297 3.8129 3.8129 4.5815 4.5815 5.2356 5.2356 6.6616 6.6616 6.8672 6.8672 7.1031 7.1031 8.1869 8.1869 8.2592 8.2592 11.8880 11.8880 15.6406 15.6406 15.9480 15.9480 k = 0.1176 0.2038-0.0000 ( 4949 PWs) bands (ev): -36.8336 -36.8336 -36.7034 -36.7034 -10.7220 -10.7220 -10.0739 -10.0739 1.8267 1.8267 3.3064 3.3064 3.6463 3.6463 3.8795 3.8795 4.6269 4.6269 5.2661 5.2661 6.6594 6.6594 6.8530 6.8530 7.0938 7.0938 8.1908 8.1908 8.2580 8.2580 11.8021 11.8021 15.6562 15.6562 15.8735 15.8735 k = 0.1127 0.1953-0.0000 ( 4943 PWs) bands (ev): -36.8352 -36.8352 -36.7028 -36.7028 -10.7375 -10.7375 -10.0751 -10.0751 1.7980 1.7980 3.3289 3.3289 3.6563 3.6563 3.9533 3.9533 4.6722 4.6722 5.2953 5.2953 6.6573 6.6573 6.8385 6.8385 7.0838 7.0838 8.1948 8.1948 8.2572 8.2572 11.7175 11.7175 15.6710 15.6710 15.7999 15.7999 k = 0.1078 0.1868-0.0000 ( 4951 PWs) bands (ev): -36.8367 -36.8367 -36.7023 -36.7023 -10.7526 -10.7526 -10.0764 -10.0764 1.7699 1.7699 3.3515 3.3515 3.6628 3.6628 4.0310 4.0310 4.7174 4.7174 5.3232 5.3232 6.6551 6.6551 6.8237 6.8237 7.0730 7.0730 8.1987 8.1987 8.2568 8.2568 11.6344 11.6344 15.6849 15.6849 15.7275 15.7275 k = 0.1029 0.1783-0.0000 ( 4959 PWs) bands (ev): -36.8383 -36.8383 -36.7018 -36.7018 -10.7672 -10.7672 -10.0776 -10.0776 1.7426 1.7426 3.3740 3.3740 3.6673 3.6673 4.1110 4.1110 4.7624 4.7624 5.3498 5.3498 6.6530 6.6530 6.8087 6.8087 7.0616 7.0616 8.2025 8.2025 8.2570 8.2570 11.5530 11.5530 15.6564 15.6564 15.6980 15.6980 k = 0.0980 0.1698-0.0000 ( 4955 PWs) bands (ev): -36.8397 -36.8397 -36.7014 -36.7014 -10.7814 -10.7814 -10.0789 -10.0789 1.7160 1.7160 3.3964 3.3964 3.6705 3.6705 4.1922 4.1922 4.8071 4.8071 5.3751 5.3751 6.6507 6.6507 6.7934 6.7934 7.0495 7.0495 8.2062 8.2062 8.2578 8.2578 11.4733 11.4733 15.5867 15.5867 15.7103 15.7103 k = 0.0931 0.1613-0.0000 ( 4961 PWs) bands (ev): -36.8411 -36.8411 -36.7009 -36.7009 -10.7951 -10.7951 -10.0801 -10.0801 1.6904 1.6904 3.4185 3.4185 3.6728 3.6728 4.2741 4.2741 4.8512 4.8512 5.3990 5.3990 6.6483 6.6483 6.7780 6.7780 7.0368 7.0368 8.2098 8.2098 8.2591 8.2591 11.3956 11.3956 15.5187 15.5187 15.7216 15.7216 k = 0.0882 0.1528-0.0000 ( 4957 PWs) bands (ev): -36.8425 -36.8425 -36.7005 -36.7005 -10.8082 -10.8082 -10.0813 -10.0813 1.6657 1.6657 3.4403 3.4403 3.6744 3.6744 4.3561 4.3561 4.8947 4.8947 5.4216 5.4216 6.6456 6.6456 6.7624 6.7624 7.0235 7.0235 8.2132 8.2132 8.2610 8.2610 11.3200 11.3200 15.4525 15.4525 15.7322 15.7322 k = 0.0833 0.1443-0.0000 ( 4953 PWs) bands (ev): -36.8438 -36.8438 -36.7001 -36.7001 -10.8208 -10.8208 -10.0825 -10.0825 1.6421 1.6421 3.4617 3.4617 3.6755 3.6755 4.4380 4.4380 4.9375 4.9375 5.4427 5.4427 6.6427 6.6427 6.7467 6.7467 7.0097 7.0097 8.2165 8.2165 8.2635 8.2635 11.2466 11.2466 15.3883 15.3883 15.7419 15.7419 k = 0.0784 0.1358-0.0000 ( 4965 PWs) bands (ev): -36.8450 -36.8450 -36.6998 -36.6998 -10.8328 -10.8328 -10.0837 -10.0837 1.6195 1.6195 3.4825 3.4825 3.6762 3.6762 4.5193 4.5193 4.9793 4.9793 5.4623 5.4623 6.6393 6.6393 6.7310 6.7310 6.9954 6.9954 8.2196 8.2196 8.2664 8.2664 11.1758 11.1758 15.3263 15.3263 15.7508 15.7508 k = 0.0735 0.1274-0.0000 ( 4965 PWs) bands (ev): -36.8462 -36.8462 -36.6994 -36.6994 -10.8442 -10.8442 -10.0849 -10.0849 1.5981 1.5981 3.5028 3.5028 3.6766 3.6766 4.5996 4.5996 5.0201 5.0201 5.4806 5.4806 6.6354 6.6354 6.7153 6.7153 6.9807 6.9807 8.2227 8.2227 8.2696 8.2696 11.1076 11.1076 15.2666 15.2666 15.7590 15.7590 k = 0.0686 0.1189-0.0000 ( 4973 PWs) bands (ev): -36.8473 -36.8473 -36.6991 -36.6991 -10.8549 -10.8549 -10.0860 -10.0860 1.5779 1.5779 3.5223 3.5223 3.6768 3.6768 4.6787 4.6787 5.0596 5.0596 5.4975 5.4975 6.6309 6.6309 6.6999 6.6999 6.9659 6.9659 8.2257 8.2257 8.2731 8.2731 11.0424 11.0424 15.2096 15.2096 15.7664 15.7664 k = 0.0637 0.1104-0.0000 ( 4965 PWs) bands (ev): -36.8483 -36.8483 -36.6988 -36.6988 -10.8650 -10.8650 -10.0870 -10.0870 1.5589 1.5589 3.5410 3.5410 3.6767 3.6767 4.7562 4.7562 5.0977 5.0977 5.5130 5.5130 6.6256 6.6256 6.6846 6.6846 6.9509 6.9509 8.2287 8.2287 8.2767 8.2767 10.9803 10.9803 15.1553 15.1553 15.7731 15.7731 k = 0.0588 0.1019-0.0000 ( 4961 PWs) bands (ev): -36.8493 -36.8493 -36.6986 -36.6986 -10.8744 -10.8744 -10.0880 -10.0880 1.5412 1.5412 3.5587 3.5587 3.6765 3.6765 4.8315 4.8315 5.1342 5.1342 5.5271 5.5271 6.6195 6.6195 6.6698 6.6698 6.9361 6.9361 8.2317 8.2317 8.2804 8.2804 10.9215 10.9215 15.1040 15.1040 15.7791 15.7791 k = 0.0539 0.0934-0.0000 ( 4961 PWs) bands (ev): -36.8501 -36.8501 -36.6983 -36.6983 -10.8831 -10.8831 -10.0890 -10.0890 1.5248 1.5248 3.5755 3.5755 3.6762 3.6762 4.9044 4.9044 5.1689 5.1689 5.5399 5.5399 6.6125 6.6125 6.6554 6.6554 6.9216 6.9216 8.2347 8.2347 8.2841 8.2841 10.8663 10.8663 15.0559 15.0559 15.7845 15.7845 k = 0.0490 0.0849-0.0000 ( 4965 PWs) bands (ev): -36.8510 -36.8510 -36.6981 -36.6981 -10.8912 -10.8912 -10.0898 -10.0898 1.5097 1.5097 3.5911 3.5911 3.6758 3.6758 4.9743 4.9743 5.2016 5.2016 5.5515 5.5515 6.6045 6.6045 6.6415 6.6415 6.9077 6.9077 8.2376 8.2376 8.2877 8.2877 10.8150 10.8150 15.0112 15.0112 15.7893 15.7893 k = 0.0441 0.0764-0.0000 ( 4961 PWs) bands (ev): -36.8517 -36.8517 -36.6979 -36.6979 -10.8985 -10.8985 -10.0906 -10.0906 1.4960 1.4960 3.6055 3.6055 3.6754 3.6754 5.0406 5.0406 5.2321 5.2321 5.5618 5.5618 6.5957 6.5957 6.6284 6.6284 6.8945 6.8945 8.2404 8.2404 8.2912 8.2912 10.7677 10.7677 14.9700 14.9700 15.7935 15.7935 k = 0.0392 0.0679-0.0000 ( 4967 PWs) bands (ev): -36.8524 -36.8524 -36.6977 -36.6977 -10.9051 -10.9051 -10.0914 -10.0914 1.4837 1.4837 3.6186 3.6186 3.6750 3.6750 5.1028 5.1028 5.2603 5.2603 5.5710 5.5710 6.5862 6.5862 6.6158 6.6158 6.8823 6.8823 8.2431 8.2431 8.2944 8.2944 10.7247 10.7247 14.9327 14.9327 15.7971 15.7971 k = 0.0343 0.0594-0.0000 ( 4967 PWs) bands (ev): -36.8530 -36.8530 -36.6976 -36.6976 -10.9109 -10.9109 -10.0920 -10.0920 1.4728 1.4728 3.6303 3.6303 3.6747 3.6747 5.1601 5.1601 5.2859 5.2859 5.5790 5.5790 6.5764 6.5764 6.6039 6.6039 6.8713 6.8713 8.2456 8.2456 8.2974 8.2974 10.6861 10.6861 14.8992 14.8992 15.8003 15.8003 k = 0.0294 0.0509-0.0000 ( 4957 PWs) bands (ev): -36.8535 -36.8535 -36.6974 -36.6974 -10.9160 -10.9160 -10.0926 -10.0926 1.4633 1.4633 3.6404 3.6404 3.6746 3.6746 5.2119 5.2119 5.3089 5.3089 5.5859 5.5859 6.5667 6.5667 6.5928 6.5928 6.8616 6.8616 8.2479 8.2479 8.3001 8.3001 10.6523 10.6523 14.8699 14.8699 15.8030 15.8030 k = 0.0245 0.0425-0.0000 ( 4963 PWs) bands (ev): -36.8539 -36.8539 -36.6973 -36.6973 -10.9203 -10.9203 -10.0931 -10.0931 1.4552 1.4552 3.6488 3.6488 3.6746 3.6746 5.2571 5.2571 5.3291 5.3291 5.5917 5.5917 6.5573 6.5573 6.5827 6.5827 6.8534 6.8534 8.2499 8.2499 8.3025 8.3025 10.6233 10.6233 14.8448 14.8448 15.8052 15.8052 k = 0.0196 0.0340-0.0000 ( 4957 PWs) bands (ev): -36.8543 -36.8543 -36.6972 -36.6972 -10.9238 -10.9238 -10.0935 -10.0935 1.4486 1.4486 3.6554 3.6554 3.6751 3.6751 5.2949 5.2949 5.3467 5.3467 5.5965 5.5965 6.5488 6.5488 6.5738 6.5738 6.8467 6.8467 8.2515 8.2515 8.3045 8.3045 10.5993 10.5993 14.8241 14.8241 15.8070 15.8070 k = 0.0147 0.0255-0.0000 ( 4955 PWs) bands (ev): -36.8545 -36.8545 -36.6972 -36.6972 -10.9266 -10.9266 -10.0938 -10.0938 1.4434 1.4434 3.6601 3.6601 3.6759 3.6759 5.3240 5.3240 5.3618 5.3618 5.6002 5.6002 6.5415 6.5415 6.5666 6.5666 6.8415 6.8415 8.2529 8.2529 8.3061 8.3061 10.5806 10.5806 14.8079 14.8079 15.8083 15.8083 k = 0.0098 0.0170-0.0000 ( 4955 PWs) bands (ev): -36.8547 -36.8547 -36.6971 -36.6971 -10.9286 -10.9286 -10.0941 -10.0941 1.4398 1.4398 3.6629 3.6629 3.6771 3.6771 5.3436 5.3436 5.3744 5.3744 5.6029 5.6029 6.5358 6.5358 6.5612 6.5612 6.8378 6.8378 8.2539 8.2539 8.3072 8.3072 10.5671 10.5671 14.7963 14.7963 15.8093 15.8093 k = 0.0049 0.0085-0.0000 ( 4951 PWs) bands (ev): -36.8549 -36.8549 -36.6971 -36.6971 -10.9298 -10.9298 -10.0942 -10.0942 1.4375 1.4375 3.6643 3.6643 3.6780 3.6780 5.3542 5.3542 5.3834 5.3834 5.6045 5.6045 6.5322 6.5322 6.5580 6.5580 6.8356 6.8356 8.2545 8.2545 8.3079 8.3079 10.5590 10.5590 14.7893 14.7893 15.8099 15.8099 k = 0.0000 0.0000 0.0000 ( 4951 PWs) bands (ev): -36.8549 -36.8549 -36.6971 -36.6971 -10.9302 -10.9302 -10.0942 -10.0942 1.4368 1.4368 3.6647 3.6647 3.6784 3.6784 5.3575 5.3575 5.3867 5.3867 5.6050 5.6050 6.5310 6.5310 6.5569 6.5569 6.8349 6.8349 8.2547 8.2547 8.3082 8.3082 10.5562 10.5562 14.7869 14.7869 15.8101 15.8101 k = 0.0000 0.0000 0.0000 ( 4951 PWs) bands (ev): -36.8549 -36.8549 -36.6971 -36.6971 -10.9302 -10.9302 -10.0942 -10.0942 1.4368 1.4368 3.6647 3.6647 3.6784 3.6784 5.3575 5.3575 5.3867 5.3867 5.6050 5.6050 6.5310 6.5310 6.5569 6.5569 6.8349 6.8349 8.2547 8.2547 8.3082 8.3082 10.5562 10.5562 14.7869 14.7869 15.8101 15.8101 k = 0.0000 0.0000 0.0095 ( 4951 PWs) bands (ev): -36.8549 -36.8549 -36.6971 -36.6971 -10.9300 -10.9300 -10.0945 -10.0945 1.4385 1.4385 3.6649 3.6649 3.6786 3.6786 5.3571 5.3571 5.3863 5.3863 5.6012 5.6012 6.5310 6.5310 6.5568 6.5568 6.8354 6.8354 8.2550 8.2550 8.3085 8.3085 10.5594 10.5594 14.7838 14.7838 15.8097 15.8097 k = 0.0000 0.0000 0.0190 ( 4963 PWs) bands (ev): -36.8549 -36.8549 -36.6971 -36.6971 -10.9295 -10.9295 -10.0953 -10.0953 1.4435 1.4435 3.6655 3.6655 3.6792 3.6792 5.3558 5.3558 5.3850 5.3850 5.5900 5.5900 6.5312 6.5312 6.5568 6.5568 6.8370 6.8370 8.2560 8.2560 8.3094 8.3094 10.5690 10.5690 14.7745 14.7745 15.8084 15.8084 k = 0.0000 0.0000 0.0285 ( 4951 PWs) bands (ev): -36.8549 -36.8549 -36.6971 -36.6971 -10.9287 -10.9287 -10.0966 -10.0966 1.4519 1.4519 3.6664 3.6664 3.6802 3.6802 5.3536 5.3536 5.3830 5.3830 5.5715 5.5715 6.5315 6.5315 6.5567 6.5567 6.8396 6.8396 8.2576 8.2576 8.3109 8.3109 10.5848 10.5848 14.7592 14.7592 15.8063 15.8063 k = 0.0000 0.0000 0.0381 ( 4951 PWs) bands (ev): -36.8549 -36.8549 -36.6971 -36.6971 -10.9276 -10.9276 -10.0984 -10.0984 1.4637 1.4637 3.6677 3.6677 3.6815 3.6815 5.3506 5.3506 5.3801 5.3801 5.5459 5.5459 6.5319 6.5319 6.5565 6.5565 6.8431 6.8431 8.2598 8.2598 8.3131 8.3131 10.6068 10.6068 14.7379 14.7379 15.8032 15.8032 k = 0.0000 0.0000 0.0476 ( 4951 PWs) bands (ev): -36.8549 -36.8549 -36.6971 -36.6971 -10.9262 -10.9262 -10.1006 -10.1006 1.4787 1.4787 3.6694 3.6694 3.6832 3.6832 5.3467 5.3467 5.3764 5.3764 5.5137 5.5137 6.5323 6.5323 6.5564 6.5564 6.8474 6.8474 8.2626 8.2626 8.3157 8.3157 10.6347 10.6347 14.7110 14.7110 15.7990 15.7990 k = 0.0000 0.0000 0.0571 ( 4957 PWs) bands (ev): -36.8549 -36.8549 -36.6971 -36.6971 -10.9245 -10.9245 -10.1034 -10.1034 1.4970 1.4970 3.6714 3.6714 3.6853 3.6853 5.3418 5.3418 5.3720 5.3720 5.4755 5.4755 6.5327 6.5327 6.5562 6.5562 6.8523 6.8523 8.2659 8.2659 8.3190 8.3190 10.6683 10.6683 14.6788 14.6788 15.7937 15.7937 k = 0.0000 0.0000 0.0666 ( 4957 PWs) bands (ev): -36.8548 -36.8548 -36.6972 -36.6972 -10.9225 -10.9225 -10.1066 -10.1066 1.5184 1.5184 3.6738 3.6738 3.6877 3.6877 5.3358 5.3358 5.3669 5.3669 5.4318 5.4318 6.5332 6.5332 6.5559 6.5559 6.8577 6.8577 8.2698 8.2698 8.3227 8.3227 10.7075 10.7075 14.6415 14.6415 15.7870 15.7870 k = 0.0000 0.0000 0.0761 ( 4975 PWs) bands (ev): -36.8548 -36.8548 -36.6972 -36.6972 -10.9202 -10.9202 -10.1102 -10.1102 1.5431 1.5431 3.6765 3.6765 3.6904 3.6904 5.3273 5.3273 5.3611 5.3611 5.3845 5.3845 6.5336 6.5336 6.5556 6.5556 6.8634 6.8634 8.2742 8.2742 8.3269 8.3269 10.7518 10.7518 14.5995 14.5995 15.7791 15.7791 k = 0.0000 0.0000 0.0856 ( 4981 PWs) bands (ev): -36.8548 -36.8548 -36.6972 -36.6972 -10.9177 -10.9177 -10.1142 -10.1142 1.5708 1.5708 3.6795 3.6795 3.6934 3.6934 5.3077 5.3077 5.3430 5.3430 5.3547 5.3547 6.5340 6.5340 6.5553 6.5553 6.8694 6.8694 8.2790 8.2790 8.3315 8.3315 10.8010 10.8010 14.5531 14.5531 15.7698 15.7698 k = 0.0000 0.0000 0.0951 ( 4981 PWs) bands (ev): -36.8547 -36.8547 -36.6973 -36.6973 -10.9150 -10.9150 -10.1186 -10.1186 1.6015 1.6015 3.6827 3.6827 3.6967 3.6967 5.2591 5.2591 5.3253 5.3253 5.3478 5.3478 6.5344 6.5344 6.5550 6.5550 6.8755 6.8755 8.2842 8.2842 8.3365 8.3365 10.8548 10.8548 14.5027 14.5027 15.7591 15.7591 k = 0.0000 0.0000 0.1046 ( 4969 PWs) bands (ev): -36.8547 -36.8547 -36.6973 -36.6973 -10.9120 -10.9120 -10.1233 -10.1233 1.6351 1.6351 3.6862 3.6862 3.7002 3.7002 5.1982 5.1982 5.3156 5.3156 5.3405 5.3405 6.5347 6.5347 6.5546 6.5546 6.8817 6.8817 8.2898 8.2898 8.3419 8.3419 10.9128 10.9128 14.4485 14.4485 15.7471 15.7471 k = 0.0000 0.0000 0.1142 ( 4963 PWs) bands (ev): -36.8546 -36.8546 -36.6974 -36.6974 -10.9088 -10.9088 -10.1283 -10.1283 1.6715 1.6715 3.6899 3.6899 3.7039 3.7039 5.1323 5.1323 5.3070 5.3070 5.3327 5.3327 6.5350 6.5350 6.5543 6.5543 6.8878 6.8878 8.2956 8.2956 8.3475 8.3475 10.9747 10.9747 14.3909 14.3909 15.7339 15.7339 k = 0.0000 0.0000 0.1237 ( 4963 PWs) bands (ev): -36.8546 -36.8546 -36.6974 -36.6974 -10.9055 -10.9055 -10.1336 -10.1336 1.7106 1.7106 3.6938 3.6938 3.7079 3.7079 5.0630 5.0630 5.2985 5.2985 5.3246 5.3246 6.5352 6.5352 6.5539 6.5539 6.8938 6.8938 8.3016 8.3016 8.3533 8.3533 11.0401 11.0401 14.3301 14.3301 15.7194 15.7194 k = 0.0000 0.0000 0.1332 ( 4963 PWs) bands (ev): -36.8545 -36.8545 -36.6974 -36.6974 -10.9020 -10.9020 -10.1390 -10.1390 1.7522 1.7522 3.6978 3.6978 3.7120 3.7120 4.9909 4.9909 5.2899 5.2899 5.3162 5.3162 6.5353 6.5353 6.5535 6.5535 6.8996 6.8996 8.3078 8.3078 8.3593 8.3593 11.1089 11.1089 14.2664 14.2664 15.7039 15.7040 k = 0.0000 0.0000 0.1427 ( 4975 PWs) bands (ev): -36.8545 -36.8545 -36.6975 -36.6975 -10.8983 -10.8983 -10.1446 -10.1446 1.7962 1.7962 3.7019 3.7019 3.7162 3.7162 4.9166 4.9166 5.2812 5.2812 5.3077 5.3077 6.5355 6.5355 6.5530 6.5530 6.9053 6.9053 8.3142 8.3142 8.3654 8.3654 11.1805 11.1805 14.2001 14.2001 15.6876 15.6876 k = 0.0000 0.0000 0.1522 ( 4987 PWs) bands (ev): -36.8544 -36.8544 -36.6976 -36.6976 -10.8946 -10.8946 -10.1503 -10.1503 1.8424 1.8424 3.7061 3.7061 3.7204 3.7204 4.8406 4.8406 5.2725 5.2725 5.2990 5.2990 6.5355 6.5355 6.5526 6.5526 6.9107 6.9107 8.3205 8.3205 8.3715 8.3715 11.2547 11.2547 14.1314 14.1314 15.6706 15.6706 k = 0.0000 0.0000 0.1617 ( 4987 PWs) bands (ev): -36.8544 -36.8544 -36.6976 -36.6976 -10.8909 -10.8909 -10.1561 -10.1561 1.8906 1.8906 3.7104 3.7104 3.7248 3.7248 4.7633 4.7633 5.2638 5.2638 5.2904 5.2904 6.5356 6.5356 6.5522 6.5522 6.9159 6.9159 8.3269 8.3269 8.3776 8.3776 11.3313 11.3313 14.0606 14.0606 15.6532 15.6532 k = 0.0000 0.0000 0.1712 ( 4975 PWs) bands (ev): -36.8543 -36.8543 -36.6976 -36.6976 -10.8871 -10.8871 -10.1619 -10.1619 1.9405 1.9405 3.7146 3.7146 3.7291 3.7291 4.6852 4.6852 5.2552 5.2552 5.2818 5.2818 6.5356 6.5356 6.5518 6.5518 6.9208 6.9208 8.3331 8.3331 8.3836 8.3836 11.4097 11.4097 13.9878 13.9878 15.6355 15.6355 k = 0.0000 0.0000 0.1807 ( 4975 PWs) bands (ev): -36.8543 -36.8543 -36.6977 -36.6977 -10.8834 -10.8834 -10.1676 -10.1676 1.9919 1.9919 3.7188 3.7188 3.7333 3.7333 4.6069 4.6069 5.2467 5.2467 5.2734 5.2734 6.5356 6.5356 6.5514 6.5514 6.9254 6.9254 8.3392 8.3392 8.3895 8.3895 11.4899 11.4899 13.9134 13.9134 15.6178 15.6178 k = 0.0000 0.0000 0.1903 ( 4975 PWs) bands (ev): -36.8542 -36.8542 -36.6977 -36.6977 -10.8797 -10.8797 -10.1731 -10.1731 2.0445 2.0445 3.7229 3.7229 3.7375 3.7375 4.5287 4.5287 5.2385 5.2385 5.2652 5.2652 6.5355 6.5355 6.5509 6.5509 6.9297 6.9297 8.3452 8.3452 8.3953 8.3953 11.5713 11.5713 13.8376 13.8376 15.6003 15.6003 k = 0.0000 0.0000 0.1998 ( 4969 PWs) bands (ev): -36.8542 -36.8542 -36.6978 -36.6978 -10.8760 -10.8760 -10.1786 -10.1786 2.0978 2.0978 3.7269 3.7269 3.7416 3.7416 4.4513 4.4513 5.2307 5.2307 5.2573 5.2573 6.5355 6.5355 6.5506 6.5506 6.9336 6.9336 8.3508 8.3508 8.4007 8.4007 11.6537 11.6537 13.7606 13.7606 15.5833 15.5833 k = 0.0000 0.0000 0.2093 ( 4969 PWs) bands (ev): -36.8541 -36.8541 -36.6978 -36.6978 -10.8726 -10.8726 -10.1837 -10.1837 2.1514 2.1514 3.7307 3.7307 3.7454 3.7454 4.3753 4.3753 5.2232 5.2232 5.2498 5.2498 6.5354 6.5354 6.5502 6.5502 6.9373 6.9373 8.3562 8.3562 8.4059 8.4059 11.7367 11.7367 13.6828 13.6828 15.5669 15.5669 k = 0.0000 0.0000 0.2188 ( 4963 PWs) bands (ev): -36.8541 -36.8541 -36.6979 -36.6979 -10.8693 -10.8693 -10.1886 -10.1886 2.2047 2.2047 3.7343 3.7343 3.7491 3.7491 4.3013 4.3013 5.2161 5.2161 5.2428 5.2428 6.5353 6.5353 6.5498 6.5498 6.9407 6.9407 8.3612 8.3612 8.4108 8.4108 11.8198 11.8198 13.6046 13.6046 15.5513 15.5513 k = 0.0000 0.0000 0.2283 ( 4951 PWs) bands (ev): -36.8541 -36.8541 -36.6979 -36.6979 -10.8662 -10.8662 -10.1932 -10.1932 2.2570 2.2570 3.7377 3.7377 3.7525 3.7525 4.2301 4.2301 5.2096 5.2096 5.2363 5.2363 6.5353 6.5353 6.5495 6.5495 6.9437 6.9437 8.3658 8.3658 8.4152 8.4152 11.9026 11.9026 13.5264 13.5264 15.5369 15.5369 k = 0.0000 0.0000 0.2378 ( 4951 PWs) bands (ev): -36.8540 -36.8540 -36.6979 -36.6979 -10.8634 -10.8634 -10.1974 -10.1974 2.3077 2.3077 3.7407 3.7407 3.7556 3.7556 4.1627 4.1627 5.2038 5.2038 5.2304 5.2304 6.5352 6.5352 6.5492 6.5492 6.9463 6.9463 8.3700 8.3700 8.4193 8.4193 11.9843 11.9843 13.4488 13.4488 15.5237 15.5237 k = 0.0000 0.0000 0.2473 ( 4963 PWs) bands (ev): -36.8540 -36.8540 -36.6980 -36.6980 -10.8608 -10.8608 -10.2011 -10.2011 2.3556 2.3556 3.7434 3.7434 3.7583 3.7583 4.1000 4.1000 5.1985 5.1985 5.2251 5.2251 6.5351 6.5351 6.5490 6.5490 6.9487 6.9487 8.3737 8.3737 8.4228 8.4228 12.0641 12.0641 13.3727 13.3727 15.5119 15.5119 k = 0.0000 0.0000 0.2568 ( 4963 PWs) bands (ev): -36.8540 -36.8540 -36.6980 -36.6980 -10.8586 -10.8586 -10.2043 -10.2043 2.3997 2.3997 3.7458 3.7458 3.7607 3.7607 4.0434 4.0434 5.1940 5.1940 5.2206 5.2206 6.5350 6.5350 6.5487 6.5487 6.9506 6.9506 8.3769 8.3769 8.4259 8.4259 12.1406 12.1406 13.2993 13.2993 15.5016 15.5016 k = 0.0000 0.0000 0.2664 ( 4963 PWs) bands (ev): -36.8540 -36.8540 -36.6980 -36.6980 -10.8568 -10.8568 -10.2070 -10.2070 2.4387 2.4387 3.7478 3.7478 3.7627 3.7627 3.9940 3.9940 5.1902 5.1902 5.2168 5.2168 6.5350 6.5350 6.5485 6.5485 6.9523 6.9523 8.3795 8.3795 8.4285 8.4285 12.2121 12.2121 13.2305 13.2305 15.4931 15.4931 k = 0.0000 0.0000 0.2759 ( 4938 PWs) bands (ev): -36.8539 -36.8539 -36.6980 -36.6980 -10.8553 -10.8553 -10.2092 -10.2092 2.4711 2.4711 3.7493 3.7493 3.7643 3.7643 3.9535 3.9535 5.1873 5.1873 5.2138 5.2138 6.5349 6.5349 6.5484 6.5484 6.9535 6.9535 8.3816 8.3816 8.4305 8.4305 12.2758 12.2758 13.1689 13.1689 15.4863 15.4863 k = 0.0000 0.0000 0.2854 ( 4938 PWs) bands (ev): -36.8539 -36.8539 -36.6980 -36.6980 -10.8542 -10.8542 -10.2107 -10.2107 2.4956 2.4956 3.7504 3.7504 3.7655 3.7655 3.9232 3.9232 5.1851 5.1851 5.2117 5.2117 6.5349 6.5349 6.5483 6.5483 6.9544 6.9544 8.3831 8.3831 8.4319 8.4319 12.3276 12.3276 13.1185 13.1185 15.4814 15.4814 k = 0.0000 0.0000 0.2949 ( 4938 PWs) bands (ev): -36.8539 -36.8539 -36.6980 -36.6980 -10.8536 -10.8536 -10.2117 -10.2117 2.5109 2.5109 3.7511 3.7511 3.7662 3.7662 3.9044 3.9044 5.1838 5.1838 5.2104 5.2104 6.5349 6.5349 6.5482 6.5482 6.9550 6.9550 8.3840 8.3840 8.4328 8.4328 12.3623 12.3623 13.0848 13.0848 15.4785 15.4785 k = 0.0000 0.0000 0.3044 ( 4938 PWs) bands (ev): -36.8539 -36.8539 -36.6980 -36.6980 -10.8534 -10.8534 -10.2120 -10.2120 2.5160 2.5160 3.7514 3.7514 3.7664 3.7664 3.8981 3.8981 5.1834 5.1834 5.2099 5.2099 6.5349 6.5349 6.5482 6.5482 6.9552 6.9552 8.3843 8.3843 8.4331 8.4331 12.3746 12.3746 13.0728 13.0728 15.4775 15.4775 k = 0.0000 0.0000 0.3044 ( 4938 PWs) bands (ev): -36.8539 -36.8539 -36.6980 -36.6980 -10.8534 -10.8534 -10.2120 -10.2120 2.5160 2.5160 3.7514 3.7514 3.7664 3.7664 3.8981 3.8981 5.1834 5.1834 5.2099 5.2099 6.5349 6.5349 6.5482 6.5482 6.9552 6.9552 8.3843 8.3843 8.4331 8.4331 12.3746 12.3746 13.0728 13.0728 15.4775 15.4775 k = 0.0085 0.0049 0.3044 ( 4942 PWs) bands (ev): -36.8539 -36.8539 -36.6980 -36.6980 -10.8530 -10.8530 -10.2119 -10.2119 2.5163 2.5163 3.7459 3.7459 3.7630 3.7630 3.9065 3.9065 5.1809 5.1809 5.2075 5.2075 6.5360 6.5360 6.5492 6.5492 6.9560 6.9560 8.3834 8.3834 8.4321 8.4321 12.3758 12.3758 13.0738 13.0738 15.4792 15.4792 k = 0.0169 0.0098 0.3044 ( 4946 PWs) bands (ev): -36.8537 -36.8537 -36.6981 -36.6981 -10.8518 -10.8518 -10.2116 -10.2116 2.5170 2.5170 3.7265 3.7265 3.7604 3.7604 3.9275 3.9275 5.1732 5.1732 5.2005 5.2005 6.5392 6.5392 6.5523 6.5523 6.9585 6.9585 8.3804 8.3804 8.4293 8.4293 12.3794 12.3794 13.0769 13.0769 15.4844 15.4844 k = 0.0254 0.0147 0.3044 ( 4950 PWs) bands (ev): -36.8535 -36.8535 -36.6981 -36.6981 -10.8499 -10.8499 -10.2112 -10.2112 2.5182 2.5182 3.6984 3.6984 3.7598 3.7598 3.9544 3.9544 5.1595 5.1595 5.1900 5.1900 6.5442 6.5442 6.5575 6.5575 6.9628 6.9628 8.3752 8.3752 8.4248 8.4248 12.3854 12.3854 13.0821 13.0821 15.4931 15.4931 k = 0.0339 0.0196 0.3044 ( 4956 PWs) bands (ev): -36.8533 -36.8533 -36.6982 -36.6982 -10.8473 -10.8473 -10.2106 -10.2106 2.5199 2.5199 3.6665 3.6665 3.7596 3.7596 3.9840 3.9840 5.1392 5.1392 5.1770 5.1770 6.5503 6.5503 6.5650 6.5650 6.9687 6.9687 8.3675 8.3675 8.4192 8.4192 12.3938 12.3938 13.0891 13.0891 15.5052 15.5052 k = 0.0424 0.0245 0.3044 ( 4958 PWs) bands (ev): -36.8529 -36.8529 -36.6983 -36.6983 -10.8439 -10.8439 -10.2099 -10.2099 2.5219 2.5219 3.6327 3.6327 3.7597 3.7597 4.0146 4.0146 5.1126 5.1126 5.1619 5.1619 6.5569 6.5569 6.5749 6.5749 6.9763 6.9763 8.3571 8.3571 8.4127 8.4127 12.4045 12.4045 13.0980 13.0980 15.5209 15.5209 k = 0.0508 0.0294 0.3044 ( 4964 PWs) bands (ev): -36.8525 -36.8525 -36.6984 -36.6984 -10.8398 -10.8398 -10.2090 -10.2090 2.5244 2.5244 3.5977 3.5977 3.7598 3.7598 4.0454 4.0454 5.0803 5.0803 5.1449 5.1449 6.5635 6.5635 6.5871 6.5871 6.9855 6.9855 8.3438 8.3438 8.4059 8.4059 12.4175 12.4175 13.1086 13.1086 15.5401 15.5401 k = 0.0593 0.0342 0.3044 ( 4960 PWs) bands (ev): -36.8520 -36.8520 -36.6985 -36.6985 -10.8349 -10.8349 -10.2079 -10.2079 2.5272 2.5272 3.5621 3.5621 3.7599 3.7599 4.0761 4.0761 5.0429 5.0429 5.1258 5.1258 6.5698 6.5698 6.6013 6.6013 6.9964 6.9964 8.3277 8.3277 8.3987 8.3987 12.4327 12.4327 13.1206 13.1206 15.5628 15.5628 k = 0.0678 0.0391 0.3044 ( 4964 PWs) bands (ev): -36.8514 -36.8514 -36.6987 -36.6987 -10.8293 -10.8293 -10.2067 -10.2067 2.5303 2.5303 3.5260 3.5260 3.7600 3.7600 4.1064 4.1064 5.0013 5.0013 5.1049 5.1049 6.5757 6.5757 6.6172 6.6172 7.0087 7.0087 8.3090 8.3090 8.3913 8.3913 12.4501 12.4501 13.1340 13.1340 15.5890 15.5890 k = 0.0763 0.0440 0.3044 ( 4966 PWs) bands (ev): -36.8508 -36.8508 -36.6988 -36.6988 -10.8230 -10.8230 -10.2053 -10.2053 2.5336 2.5336 3.4897 3.4897 3.7601 3.7601 4.1361 4.1361 4.9560 4.9560 5.0822 5.0822 6.5808 6.5808 6.6344 6.6344 7.0223 7.0223 8.2880 8.2880 8.3838 8.3838 12.4696 12.4696 13.1485 13.1485 15.6187 15.6187 k = 0.0847 0.0489 0.3044 ( 4970 PWs) bands (ev): -36.8500 -36.8500 -36.6990 -36.6990 -10.8160 -10.8160 -10.2038 -10.2038 2.5371 2.5371 3.4533 3.4533 3.7602 3.7602 4.1651 4.1651 4.9076 4.9076 5.0580 5.0580 6.5851 6.5851 6.6528 6.6528 7.0370 7.0370 8.2652 8.2652 8.3759 8.3759 12.4910 12.4910 13.1639 13.1639 15.6520 15.6520 k = 0.0932 0.0538 0.3044 ( 4970 PWs) bands (ev): -36.8492 -36.8492 -36.6992 -36.6992 -10.8084 -10.8084 -10.2021 -10.2021 2.5406 2.5406 3.4168 3.4168 3.7601 3.7601 4.1933 4.1933 4.8566 4.8566 5.0324 5.0324 6.5883 6.5883 6.6719 6.6719 7.0526 7.0526 8.2407 8.2407 8.3678 8.3678 12.5144 12.5144 13.1802 13.1802 15.6888 15.6888 k = 0.1017 0.0587 0.3044 ( 4974 PWs) bands (ev): -36.8483 -36.8483 -36.6995 -36.6995 -10.8000 -10.8000 -10.2003 -10.2003 2.5441 2.5441 3.3804 3.3804 3.7600 3.7600 4.2205 4.2205 4.8035 4.8035 5.0058 5.0058 6.5906 6.5906 6.6917 6.6917 7.0688 7.0688 8.2152 8.2152 8.3594 8.3594 12.5394 12.5394 13.1970 13.1970 15.7290 15.7290 k = 0.1102 0.0636 0.3044 ( 4968 PWs) bands (ev): -36.8474 -36.8474 -36.6997 -36.6997 -10.7910 -10.7910 -10.1983 -10.1983 2.5474 2.5474 3.3441 3.3441 3.7597 3.7597 4.2466 4.2466 4.7490 4.7490 4.9782 4.9782 6.5917 6.5917 6.7119 6.7119 7.0853 7.0853 8.1888 8.1888 8.3508 8.3508 12.5660 12.5660 13.2144 13.2144 15.7727 15.7727 k = 0.1186 0.0685 0.3044 ( 4966 PWs) bands (ev): -36.8464 -36.8464 -36.7000 -36.7000 -10.7814 -10.7814 -10.1963 -10.1963 2.5504 2.5504 3.3080 3.3080 3.7593 3.7593 4.2715 4.2715 4.6934 4.6934 4.9499 4.9499 6.5918 6.5918 6.7323 6.7323 7.1019 7.1019 8.1621 8.1621 8.3420 8.3420 12.5938 12.5938 13.2322 13.2322 15.8198 15.8198 k = 0.1271 0.0734 0.3044 ( 4970 PWs) bands (ev): -36.8453 -36.8453 -36.7003 -36.7003 -10.7712 -10.7712 -10.1941 -10.1941 2.5530 2.5530 3.2721 3.2721 3.7587 3.7587 4.2948 4.2948 4.6373 4.6373 4.9211 4.9211 6.5910 6.5910 6.7528 6.7528 7.1182 7.1182 8.1353 8.1353 8.3330 8.3330 12.6228 12.6228 13.2504 13.2504 15.8701 15.8701 k = 0.1356 0.0783 0.3044 ( 4962 PWs) bands (ev): -36.8442 -36.8442 -36.7006 -36.7006 -10.7604 -10.7604 -10.1918 -10.1918 2.5551 2.5551 3.2365 3.2365 3.7578 3.7578 4.3161 4.3161 4.5817 4.5817 4.8919 4.8919 6.5891 6.5891 6.7731 6.7731 7.1341 7.1341 8.1088 8.1088 8.3239 8.3239 12.6525 12.6525 13.2690 13.2690 15.9237 15.9237 k = 0.1441 0.0832 0.3044 ( 4972 PWs) bands (ev): -36.8430 -36.8430 -36.7010 -36.7010 -10.7490 -10.7490 -10.1894 -10.1894 2.5564 2.5564 3.2014 3.2014 3.7566 3.7566 4.3345 4.3345 4.5276 4.5276 4.8626 4.8626 6.5863 6.5863 6.7932 6.7932 7.1493 7.1493 8.0831 8.0831 8.3148 8.3148 12.6826 12.6826 13.2881 13.2881 15.9804 15.9804 k = 0.1525 0.0881 0.3044 ( 4968 PWs) bands (ev): -36.8417 -36.8417 -36.7013 -36.7013 -10.7370 -10.7370 -10.1869 -10.1869 2.5568 2.5568 3.1666 3.1666 3.7552 3.7552 4.3469 4.3469 4.4786 4.4786 4.8334 4.8334 6.5827 6.5827 6.8128 6.8128 7.1637 7.1637 8.0584 8.0584 8.3057 8.3057 12.7128 12.7128 13.3078 13.3078 16.0400 16.0400 k = 0.1610 0.0930 0.3044 ( 4976 PWs) bands (ev): -36.8404 -36.8404 -36.7017 -36.7017 -10.7246 -10.7246 -10.1843 -10.1843 2.5561 2.5561 3.1323 3.1323 3.7533 3.7533 4.3443 4.3443 4.4438 4.4438 4.8043 4.8043 6.5783 6.5783 6.8320 6.8320 7.1769 7.1769 8.0350 8.0350 8.2966 8.2966 12.7425 12.7425 13.3285 13.3285 16.1024 16.1024 k = 0.1695 0.0979 0.3044 ( 4980 PWs) bands (ev): -36.8390 -36.8390 -36.7021 -36.7021 -10.7117 -10.7117 -10.1816 -10.1816 2.5541 2.5541 3.0986 3.0986 3.7511 3.7511 4.3159 4.3159 4.4345 4.4345 4.7755 4.7755 6.5732 6.5732 6.8505 6.8505 7.1888 7.1888 8.0133 8.0133 8.2877 8.2877 12.7712 12.7712 13.3504 13.3504 16.1675 16.1675 k = 0.1780 0.1027 0.3044 ( 4976 PWs) bands (ev): -36.8375 -36.8375 -36.7026 -36.7026 -10.6983 -10.6983 -10.1789 -10.1789 2.5507 2.5507 3.0653 3.0653 3.7484 3.7484 4.2716 4.2716 4.4410 4.4410 4.7472 4.7472 6.5674 6.5674 6.8683 6.8683 7.1994 7.1994 7.9936 7.9936 8.2791 8.2791 12.7983 12.7983 13.3739 13.3739 16.2350 16.2350 k = 0.1864 0.1076 0.3044 ( 4964 PWs) bands (ev): -36.8360 -36.8360 -36.7030 -36.7030 -10.6845 -10.6845 -10.1761 -10.1761 2.5456 2.5456 3.0326 3.0326 3.7453 3.7453 4.2229 4.2229 4.4521 4.4521 4.7196 4.7196 6.5611 6.5611 6.8853 6.8853 7.2085 7.2085 7.9761 7.9761 8.2707 8.2707 12.8233 12.8233 13.3994 13.3994 16.3047 16.3047 k = 0.1949 0.1125 0.3044 ( 4964 PWs) bands (ev): -36.8345 -36.8345 -36.7035 -36.7035 -10.6703 -10.6703 -10.1733 -10.1733 2.5387 2.5387 3.0003 3.0003 3.7416 3.7416 4.1740 4.1740 4.4640 4.4640 4.6926 4.6926 6.5541 6.5541 6.9014 6.9014 7.2162 7.2162 7.9610 7.9610 8.2626 8.2626 12.8456 12.8456 13.4274 13.4274 16.3764 16.3764 k = 0.2034 0.1174 0.3044 ( 4960 PWs) bands (ev): -36.8329 -36.8329 -36.7041 -36.7041 -10.6557 -10.6557 -10.1704 -10.1704 2.5298 2.5298 2.9686 2.9686 3.7374 3.7374 4.1263 4.1263 4.4755 4.4755 4.6665 4.6665 6.5467 6.5467 6.9165 6.9165 7.2223 7.2223 7.9483 7.9483 8.2549 8.2549 12.8645 12.8645 13.4582 13.4582 16.4499 16.4499 k = 0.2119 0.1223 0.3044 ( 4958 PWs) bands (ev): -36.8313 -36.8313 -36.7046 -36.7046 -10.6408 -10.6408 -10.1676 -10.1676 2.5190 2.5190 2.9371 2.9371 3.7325 3.7325 4.0806 4.0806 4.4861 4.4861 4.6414 4.6414 6.5388 6.5388 6.9307 6.9307 7.2270 7.2270 7.9384 7.9384 8.2477 8.2477 12.8798 12.8798 13.4921 13.4921 16.5248 16.5248 k = 0.2203 0.1272 0.3044 ( 4960 PWs) bands (ev): -36.8296 -36.8296 -36.7052 -36.7052 -10.6256 -10.6256 -10.1647 -10.1647 2.5061 2.5061 2.9060 2.9060 3.7271 3.7271 4.0374 4.0374 4.4956 4.4956 4.6174 4.6174 6.5306 6.5306 6.9438 6.9438 7.2304 7.2304 7.9310 7.9310 8.2409 8.2409 12.8912 12.8912 13.5292 13.5292 16.6010 16.6010 k = 0.2288 0.1321 0.3044 ( 4964 PWs) bands (ev): -36.8279 -36.8279 -36.7058 -36.7058 -10.6101 -10.6101 -10.1618 -10.1618 2.4912 2.4912 2.8749 2.8749 3.7210 3.7210 3.9969 3.9969 4.5038 4.5038 4.5947 4.5947 6.5220 6.5220 6.9559 6.9559 7.2324 7.2324 7.9263 7.9263 8.2347 8.2347 12.8984 12.8984 13.5697 13.5697 16.6782 16.6782 k = 0.2373 0.1370 0.3044 ( 4968 PWs) bands (ev): -36.8262 -36.8262 -36.7064 -36.7064 -10.5944 -10.5944 -10.1589 -10.1589 2.4742 2.4742 2.8439 2.8439 3.7143 3.7143 3.9594 3.9594 4.5105 4.5105 4.5736 4.5736 6.5132 6.5132 6.9669 6.9669 7.2334 7.2334 7.9240 7.9240 8.2290 8.2290 12.9015 12.9015 13.6133 13.6133 16.7561 16.7561 k = 0.2458 0.1419 0.3044 ( 4960 PWs) bands (ev): -36.8244 -36.8244 -36.7071 -36.7071 -10.5784 -10.5784 -10.1561 -10.1561 2.4554 2.4554 2.8128 2.8128 3.7069 3.7069 3.9251 3.9251 4.5149 4.5149 4.5550 4.5550 6.5042 6.5042 6.9768 6.9768 7.2335 7.2335 7.9242 7.9242 8.2239 8.2239 12.9007 12.9007 13.6599 13.6599 16.8343 16.8343 k = 0.2542 0.1468 0.3044 ( 4952 PWs) bands (ev): -36.8226 -36.8226 -36.7077 -36.7077 -10.5624 -10.5624 -10.1533 -10.1533 2.4349 2.4349 2.7815 2.7815 3.6989 3.6989 3.8938 3.8938 4.5141 4.5141 4.5420 4.5420 6.4950 6.4950 6.9857 6.9857 7.2328 7.2328 7.9267 7.9267 8.2193 8.2193 12.8961 12.8961 13.7093 13.7093 16.9125 16.9125 k = 0.2627 0.1517 0.3044 ( 4956 PWs) bands (ev): -36.8207 -36.8207 -36.7084 -36.7084 -10.5462 -10.5462 -10.1506 -10.1506 2.4128 2.4128 2.7500 2.7500 3.6903 3.6903 3.8657 3.8657 4.5042 4.5042 4.5384 4.5384 6.4856 6.4856 6.9935 6.9935 7.2315 7.2315 7.9313 7.9313 8.2154 8.2154 12.8879 12.8879 13.7610 13.7610 16.9904 16.9904 k = 0.2712 0.1566 0.3044 ( 4948 PWs) bands (ev): -36.8189 -36.8189 -36.7092 -36.7092 -10.5299 -10.5299 -10.1479 -10.1479 2.3892 2.3892 2.7182 2.7182 3.6811 3.6811 3.8406 3.8406 4.4899 4.4899 4.5399 4.5399 6.4763 6.4763 7.0003 7.0003 7.2298 7.2298 7.9378 7.9378 8.2120 8.2120 12.8765 12.8765 13.8149 13.8149 17.0677 17.0677 k = 0.2797 0.1615 0.3044 ( 4944 PWs) bands (ev): -36.8170 -36.8170 -36.7099 -36.7099 -10.5136 -10.5136 -10.1454 -10.1454 2.3644 2.3644 2.6862 2.6862 3.6713 3.6713 3.8182 3.8182 4.4752 4.4752 4.5424 4.5424 6.4668 6.4668 7.0062 7.0062 7.2278 7.2278 7.9461 7.9461 8.2092 8.2092 12.8621 12.8621 13.8705 13.8705 17.1439 17.1439 k = 0.2881 0.1664 0.3044 ( 4956 PWs) bands (ev): -36.8152 -36.8152 -36.7107 -36.7107 -10.4973 -10.4973 -10.1430 -10.1430 2.3385 2.3385 2.6542 2.6542 3.6610 3.6610 3.7985 3.7985 4.4611 4.4611 4.5452 4.5452 6.4574 6.4574 7.0112 7.0112 7.2256 7.2256 7.9560 7.9560 8.2069 8.2069 12.8449 12.8449 13.9277 13.9277 17.2187 17.2187 k = 0.2966 0.1712 0.3044 ( 4952 PWs) bands (ev): -36.8133 -36.8133 -36.7115 -36.7115 -10.4810 -10.4810 -10.1407 -10.1407 2.3118 2.3118 2.6221 2.6221 3.6503 3.6503 3.7811 3.7811 4.4480 4.4480 4.5479 4.5479 6.4481 6.4481 7.0153 7.0153 7.2234 7.2234 7.9673 7.9673 8.2052 8.2052 12.8254 12.8254 13.9860 13.9860 17.2915 17.2915 k = 0.3051 0.1761 0.3044 ( 4952 PWs) bands (ev): -36.8114 -36.8114 -36.7123 -36.7123 -10.4648 -10.4648 -10.1385 -10.1385 2.2843 2.2843 2.5904 2.5904 3.6392 3.6392 3.7657 3.7657 4.4359 4.4359 4.5506 4.5506 6.4387 6.4387 7.0186 7.0186 7.2211 7.2211 7.9798 7.9798 8.2041 8.2041 12.8036 12.8036 14.0452 14.0452 17.3618 17.3618 k = 0.3136 0.1810 0.3044 ( 4952 PWs) bands (ev): -36.8095 -36.8095 -36.7132 -36.7132 -10.4487 -10.4487 -10.1365 -10.1365 2.2562 2.2562 2.5590 2.5590 3.6278 3.6278 3.7521 3.7521 4.4249 4.4249 4.5534 4.5534 6.4295 6.4295 7.0211 7.0211 7.2190 7.2190 7.9934 7.9934 8.2034 8.2034 12.7799 12.7799 14.1051 14.1051 17.4291 17.4291 k = 0.3220 0.1859 0.3044 ( 4952 PWs) bands (ev): -36.8076 -36.8076 -36.7141 -36.7141 -10.4327 -10.4327 -10.1347 -10.1347 2.2277 2.2277 2.5283 2.5283 3.6162 3.6162 3.7400 3.7400 4.4148 4.4148 4.5563 4.5563 6.4204 6.4204 7.0231 7.0231 7.2169 7.2169 8.0079 8.0079 8.2031 8.2031 12.7546 12.7546 14.1654 14.1654 17.4923 17.4923 k = 0.3305 0.1908 0.3044 ( 4948 PWs) bands (ev): -36.8057 -36.8057 -36.7150 -36.7150 -10.4169 -10.4169 -10.1331 -10.1331 2.1990 2.1990 2.4983 2.4983 3.6044 3.6044 3.7291 3.7291 4.4058 4.4058 4.5596 4.5596 6.4114 6.4114 7.0244 7.0244 7.2149 7.2149 8.0232 8.0232 8.2033 8.2033 12.7279 12.7279 14.2258 14.2258 17.5505 17.5505 k = 0.3390 0.1957 0.3044 ( 4948 PWs) bands (ev): -36.8038 -36.8038 -36.7159 -36.7159 -10.4013 -10.4013 -10.1317 -10.1317 2.1702 2.1702 2.4694 2.4694 3.5927 3.5927 3.7191 3.7191 4.3976 4.3976 4.5631 4.5631 6.4026 6.4026 7.0253 7.0253 7.2131 7.2131 8.0391 8.0391 8.2038 8.2038 12.7001 12.7001 14.2861 14.2861 17.6016 17.6016 k = 0.3475 0.2006 0.3044 ( 4948 PWs) bands (ev): -36.8020 -36.8020 -36.7168 -36.7168 -10.3860 -10.3860 -10.1306 -10.1306 2.1415 2.1415 2.4415 2.4415 3.5809 3.5809 3.7099 3.7099 4.3904 4.3904 4.5671 4.5671 6.3939 6.3939 7.0257 7.0257 7.2115 7.2115 8.0555 8.0555 8.2047 8.2047 12.6714 12.6714 14.3461 14.3461 17.6430 17.6430 k = 0.3559 0.2055 0.3044 ( 4948 PWs) bands (ev): -36.8001 -36.8001 -36.7177 -36.7177 -10.3710 -10.3710 -10.1297 -10.1297 2.1130 2.1130 2.4149 2.4149 3.5693 3.5693 3.7013 3.7013 4.3838 4.3838 4.5714 4.5714 6.3854 6.3854 7.0257 7.0257 7.2100 7.2100 8.0721 8.0721 8.2059 8.2059 12.6421 12.6421 14.4055 14.4055 17.6704 17.6704 k = 0.3644 0.2104 0.3044 ( 4940 PWs) bands (ev): -36.7983 -36.7983 -36.7186 -36.7186 -10.3563 -10.3563 -10.1290 -10.1290 2.0851 2.0851 2.3896 2.3896 3.5580 3.5580 3.6932 3.6932 4.3781 4.3781 4.5763 4.5763 6.3771 6.3771 7.0254 7.0254 7.2086 7.2086 8.0889 8.0889 8.2074 8.2074 12.6125 12.6125 14.4640 14.4640 17.6795 17.6795 k = 0.3729 0.2153 0.3044 ( 4940 PWs) bands (ev): -36.7966 -36.7966 -36.7196 -36.7196 -10.3420 -10.3420 -10.1287 -10.1287 2.0577 2.0577 2.3658 2.3658 3.5469 3.5469 3.6854 3.6854 4.3729 4.3729 4.5815 4.5815 6.3691 6.3691 7.0249 7.0249 7.2074 7.2074 8.1056 8.1056 8.2092 8.2092 12.5829 12.5829 14.5215 14.5215 17.6697 17.6697 k = 0.3814 0.2202 0.3044 ( 4940 PWs) bands (ev): -36.7948 -36.7948 -36.7205 -36.7205 -10.3280 -10.3280 -10.1287 -10.1287 2.0312 2.0312 2.3434 2.3434 3.5362 3.5362 3.6780 3.6780 4.3684 4.3684 4.5871 4.5871 6.3612 6.3612 7.0241 7.0241 7.2064 7.2064 8.1220 8.1220 8.2113 8.2113 12.5535 12.5535 14.5775 14.5775 17.6459 17.6459 k = 0.3898 0.2251 0.3044 ( 4926 PWs) bands (ev): -36.7932 -36.7932 -36.7214 -36.7214 -10.3145 -10.3145 -10.1289 -10.1289 2.0057 2.0057 2.3225 2.3225 3.5259 3.5259 3.6709 3.6709 4.3645 4.3645 4.5930 4.5930 6.3537 6.3537 7.0232 7.0232 7.2054 7.2054 8.1378 8.1378 8.2138 8.2138 12.5246 12.5246 14.6319 14.6319 17.6140 17.6140 k = 0.3983 0.2300 0.3044 ( 4936 PWs) bands (ev): -36.7916 -36.7916 -36.7224 -36.7224 -10.3014 -10.3014 -10.1296 -10.1296 1.9813 1.9813 2.3031 2.3031 3.5161 3.5161 3.6640 3.6640 4.3610 4.3610 4.5991 4.5991 6.3465 6.3465 7.0222 7.0222 7.2047 7.2047 8.1528 8.1528 8.2168 8.2168 12.4964 12.4964 14.6843 14.6843 17.5784 17.5784 k = 0.4068 0.2349 0.3044 ( 4932 PWs) bands (ev): -36.7900 -36.7900 -36.7232 -36.7232 -10.2888 -10.2888 -10.1305 -10.1305 1.9583 1.9583 2.2852 2.2852 3.5069 3.5069 3.6575 3.6575 4.3580 4.3580 4.6053 4.6053 6.3396 6.3396 7.0211 7.0211 7.2040 7.2040 8.1666 8.1666 8.2204 8.2204 12.4693 12.4693 14.7344 14.7344 17.5418 17.5418 k = 0.4153 0.2397 0.3044 ( 4932 PWs) bands (ev): -36.7886 -36.7886 -36.7241 -36.7241 -10.2767 -10.2767 -10.1318 -10.1318 1.9368 1.9368 2.2689 2.2689 3.4983 3.4983 3.6512 3.6512 4.3554 4.3554 4.6116 4.6116 6.3331 6.3331 7.0200 7.0200 7.2034 7.2034 8.1787 8.1787 8.2250 8.2250 12.4435 12.4435 14.7820 14.7820 17.5057 17.5057 k = 0.4237 0.2446 0.3044 ( 4930 PWs) bands (ev): -36.7872 -36.7872 -36.7249 -36.7249 -10.2652 -10.2652 -10.1335 -10.1335 1.9169 1.9169 2.2542 2.2542 3.4904 3.4904 3.6454 3.6454 4.3531 4.3531 4.6177 4.6177 6.3270 6.3270 7.0189 7.0189 7.2029 7.2029 8.1886 8.1886 8.2308 8.2308 12.4193 12.4193 14.8265 14.8265 17.4711 17.4711 k = 0.4322 0.2495 0.3044 ( 4938 PWs) bands (ev): -36.7859 -36.7859 -36.7257 -36.7257 -10.2543 -10.2543 -10.1355 -10.1355 1.8988 1.8988 2.2410 2.2410 3.4832 3.4832 3.6399 3.6399 4.3512 4.3512 4.6236 4.6236 6.3214 6.3214 7.0179 7.0179 7.2025 7.2025 8.1961 8.1961 8.2378 8.2378 12.3969 12.3969 14.8677 14.8677 17.4386 17.4386 k = 0.4407 0.2544 0.3044 ( 4940 PWs) bands (ev): -36.7848 -36.7848 -36.7265 -36.7265 -10.2440 -10.2440 -10.1379 -10.1379 1.8825 1.8825 2.2294 2.2294 3.4768 3.4768 3.6349 3.6349 4.3496 4.3496 4.6292 4.6292 6.3163 6.3163 7.0169 7.0169 7.2022 7.2022 8.2016 8.2016 8.2457 8.2457 12.3765 12.3765 14.9053 14.9053 17.4088 17.4088 k = 0.4492 0.2593 0.3044 ( 4960 PWs) bands (ev): -36.7837 -36.7837 -36.7271 -36.7271 -10.2344 -10.2344 -10.1405 -10.1405 1.8683 1.8683 2.2193 2.2193 3.4711 3.4711 3.6305 3.6305 4.3482 4.3482 4.6343 4.6343 6.3118 6.3118 7.0159 7.0159 7.2020 7.2020 8.2054 8.2054 8.2537 8.2537 12.3584 12.3584 14.9388 14.9388 17.3821 17.3821 k = 0.4576 0.2642 0.3044 ( 4956 PWs) bands (ev): -36.7828 -36.7828 -36.7277 -36.7277 -10.2255 -10.2255 -10.1435 -10.1435 1.8560 1.8560 2.2107 2.2107 3.4663 3.4663 3.6267 3.6267 4.3471 4.3471 4.6388 4.6388 6.3079 6.3079 7.0151 7.0151 7.2018 7.2018 8.2082 8.2082 8.2613 8.2613 12.3427 12.3427 14.9679 14.9679 17.3588 17.3588 k = 0.4661 0.2691 0.3044 ( 4956 PWs) bands (ev): -36.7821 -36.7821 -36.7282 -36.7282 -10.2176 -10.2176 -10.1465 -10.1465 1.8459 1.8459 2.2038 2.2038 3.4623 3.4623 3.6234 3.6234 4.3462 4.3462 4.6426 4.6426 6.3047 6.3047 7.0144 7.0144 7.2016 7.2016 8.2102 8.2102 8.2679 8.2679 12.3296 12.3296 14.9922 14.9922 17.3392 17.3392 k = 0.4746 0.2740 0.3044 ( 4956 PWs) bands (ev): -36.7815 -36.7815 -36.7286 -36.7286 -10.2108 -10.2108 -10.1495 -10.1495 1.8380 1.8380 2.1983 2.1983 3.4592 3.4592 3.6209 3.6209 4.3456 4.3456 4.6457 4.6457 6.3021 6.3021 7.0139 7.0139 7.2015 7.2015 8.2116 8.2116 8.2733 8.2733 12.3193 12.3193 15.0114 15.0114 17.3237 17.3237 k = 0.4831 0.2789 0.3044 ( 4956 PWs) bands (ev): -36.7810 -36.7810 -36.7289 -36.7289 -10.2053 -10.2053 -10.1522 -10.1522 1.8323 1.8323 2.1945 2.1945 3.4569 3.4569 3.6190 3.6190 4.3451 4.3451 4.6479 4.6479 6.3003 6.3003 7.0135 7.0135 7.2015 7.2015 8.2126 8.2126 8.2772 8.2772 12.3118 12.3118 15.0254 15.0254 17.3125 17.3125 k = 0.4915 0.2838 0.3044 ( 4956 PWs) bands (ev): -36.7808 -36.7808 -36.7291 -36.7291 -10.2018 -10.2018 -10.1542 -10.1542 1.8289 1.8289 2.1921 2.1921 3.4556 3.4556 3.6179 3.6179 4.3448 4.3448 4.6493 4.6493 6.2992 6.2992 7.0132 7.0132 7.2014 7.2014 8.2131 8.2131 8.2797 8.2797 12.3073 12.3073 15.0339 15.0339 17.3057 17.3057 k = 0.5000 0.2887 0.3044 ( 4956 PWs) bands (ev): -36.7807 -36.7807 -36.7291 -36.7291 -10.2005 -10.2005 -10.1549 -10.1549 1.8278 1.8278 2.1914 2.1914 3.4551 3.4551 3.6175 3.6175 4.3447 4.3447 4.6497 4.6497 6.2988 6.2988 7.0132 7.0132 7.2014 7.2014 8.2133 8.2133 8.2805 8.2805 12.3058 12.3058 15.0367 15.0367 17.3034 17.3034 k = 0.5000 0.2887 0.3044 ( 4956 PWs) bands (ev): -36.7807 -36.7807 -36.7291 -36.7291 -10.2005 -10.2005 -10.1549 -10.1549 1.8278 1.8278 2.1914 2.1914 3.4551 3.4551 3.6175 3.6175 4.3447 4.3447 4.6497 4.6497 6.2988 6.2988 7.0132 7.0132 7.2014 7.2014 8.2133 8.2133 8.2805 8.2805 12.3058 12.3058 15.0367 15.0367 17.3034 17.3034 k = 0.4951 0.2972 0.3044 ( 4958 PWs) bands (ev): -36.7806 -36.7806 -36.7291 -36.7291 -10.2004 -10.2004 -10.1548 -10.1548 1.8284 1.8284 2.1919 2.1919 3.4543 3.4543 3.6176 3.6176 4.3419 4.3419 4.6484 4.6484 6.3007 6.3007 7.0132 7.0132 7.2012 7.2012 8.2134 8.2134 8.2806 8.2806 12.3092 12.3092 15.0379 15.0379 17.3001 17.3001 k = 0.4902 0.3057 0.3044 ( 4958 PWs) bands (ev): -36.7805 -36.7805 -36.7292 -36.7292 -10.2001 -10.2001 -10.1545 -10.1545 1.8304 1.8304 2.1936 2.1936 3.4520 3.4520 3.6177 3.6177 4.3333 4.3333 4.6446 4.6446 6.3062 6.3062 7.0134 7.0134 7.2007 7.2007 8.2139 8.2139 8.2810 8.2810 12.3194 12.3194 15.0417 15.0417 17.2901 17.2901 k = 0.4853 0.3141 0.3044 ( 4954 PWs) bands (ev): -36.7804 -36.7804 -36.7293 -36.7293 -10.1996 -10.1996 -10.1541 -10.1541 1.8337 1.8337 2.1963 2.1963 3.4481 3.4481 3.6180 3.6180 4.3193 4.3193 4.6382 4.6382 6.3152 6.3152 7.0138 7.0138 7.1999 7.1999 8.2146 8.2146 8.2817 8.2817 12.3363 12.3363 15.0479 15.0479 17.2736 17.2736 k = 0.4804 0.3226 0.3044 ( 4942 PWs) bands (ev): -36.7802 -36.7802 -36.7294 -36.7294 -10.1990 -10.1990 -10.1534 -10.1534 1.8383 1.8383 2.2001 2.2001 3.4426 3.4426 3.6181 3.6181 4.3002 4.3002 4.6293 4.6293 6.3275 6.3275 7.0143 7.0143 7.1988 7.1988 8.2156 8.2156 8.2826 8.2826 12.3599 12.3599 15.0566 15.0566 17.2507 17.2507 k = 0.4755 0.3311 0.3044 ( 4930 PWs) bands (ev): -36.7799 -36.7799 -36.7296 -36.7296 -10.1981 -10.1981 -10.1526 -10.1526 1.8441 1.8441 2.2050 2.2050 3.4356 3.4356 3.6182 3.6182 4.2763 4.2763 4.6181 4.6181 6.3428 6.3428 7.0149 7.0149 7.1973 7.1973 8.2170 8.2170 8.2837 8.2837 12.3899 12.3899 15.0677 15.0677 17.2216 17.2216 k = 0.4706 0.3396 0.3044 ( 4930 PWs) bands (ev): -36.7796 -36.7796 -36.7298 -36.7298 -10.1971 -10.1971 -10.1516 -10.1516 1.8513 1.8513 2.2110 2.2110 3.4270 3.4270 3.6179 3.6179 4.2484 4.2484 4.6046 4.6046 6.3607 6.3607 7.0157 7.0157 7.1956 7.1956 8.2187 8.2187 8.2851 8.2851 12.4261 12.4261 15.0812 15.0812 17.1866 17.1866 k = 0.4657 0.3481 0.3044 ( 4926 PWs) bands (ev): -36.7792 -36.7792 -36.7301 -36.7301 -10.1959 -10.1959 -10.1505 -10.1505 1.8597 1.8597 2.2181 2.2181 3.4170 3.4170 3.6171 3.6171 4.2169 4.2169 4.5890 4.5890 6.3809 6.3809 7.0165 7.0165 7.1936 7.1936 8.2208 8.2208 8.2868 8.2868 12.4685 12.4685 15.0970 15.0970 17.1459 17.1459 k = 0.4608 0.3566 0.3044 ( 4922 PWs) bands (ev): -36.7788 -36.7788 -36.7304 -36.7304 -10.1945 -10.1945 -10.1492 -10.1492 1.8694 1.8694 2.2262 2.2262 3.4055 3.4055 3.6155 3.6155 4.1828 4.1828 4.5714 4.5714 6.4028 6.4028 7.0174 7.0174 7.1913 7.1913 8.2233 8.2233 8.2886 8.2886 12.5166 12.5166 15.1149 15.1149 17.0999 17.0999 k = 0.4559 0.3651 0.3044 ( 4922 PWs) bands (ev): -36.7783 -36.7783 -36.7307 -36.7307 -10.1930 -10.1930 -10.1478 -10.1478 1.8804 1.8804 2.2355 2.2355 3.3926 3.3926 3.6125 3.6125 4.1468 4.1468 4.5520 4.5520 6.4263 6.4263 7.0183 7.0183 7.1888 7.1888 8.2263 8.2263 8.2907 8.2907 12.5703 12.5703 15.1350 15.1350 17.0490 17.0490 k = 0.4510 0.3736 0.3044 ( 4922 PWs) bands (ev): -36.7777 -36.7777 -36.7311 -36.7311 -10.1913 -10.1913 -10.1463 -10.1463 1.8925 1.8925 2.2457 2.2457 3.3782 3.3782 3.6078 3.6078 4.1100 4.1100 4.5309 4.5309 6.4507 6.4507 7.0193 7.0193 7.1861 7.1861 8.2296 8.2296 8.2931 8.2931 12.6293 12.6293 15.1572 15.1572 16.9935 16.9935 k = 0.4461 0.3821 0.3044 ( 4924 PWs) bands (ev): -36.7771 -36.7771 -36.7315 -36.7315 -10.1894 -10.1894 -10.1446 -10.1446 1.9058 1.9058 2.2571 2.2571 3.3625 3.3625 3.6006 3.6006 4.0735 4.0735 4.5084 4.5084 6.4759 6.4759 7.0203 7.0203 7.1832 7.1832 8.2334 8.2334 8.2956 8.2956 12.6932 12.6932 15.1813 15.1813 16.9339 16.9339 k = 0.4412 0.3906 0.3044 ( 4920 PWs) bands (ev): -36.7765 -36.7765 -36.7319 -36.7319 -10.1874 -10.1874 -10.1429 -10.1429 1.9204 1.9204 2.2695 2.2695 3.3454 3.3454 3.5900 3.5900 4.0385 4.0385 4.4846 4.4846 6.5015 6.5015 7.0212 7.0212 7.1801 7.1801 8.2376 8.2376 8.2983 8.2983 12.7616 12.7616 15.2072 15.2072 16.8707 16.8707 k = 0.4363 0.3991 0.3044 ( 4916 PWs) bands (ev): -36.7758 -36.7758 -36.7324 -36.7324 -10.1853 -10.1853 -10.1411 -10.1411 1.9360 1.9360 2.2829 2.2829 3.3271 3.3271 3.5751 3.5751 4.0063 4.0063 4.4598 4.4598 6.5272 6.5272 7.0221 7.0221 7.1770 7.1770 8.2422 8.2422 8.3011 8.3011 12.8343 12.8343 15.2349 15.2349 16.8041 16.8041 k = 0.4314 0.4075 0.3044 ( 4916 PWs) bands (ev): -36.7750 -36.7750 -36.7329 -36.7329 -10.1830 -10.1830 -10.1393 -10.1393 1.9527 1.9527 2.2974 2.2974 3.3076 3.3076 3.5551 3.5551 3.9782 3.9782 4.4342 4.4342 6.5527 6.5527 7.0229 7.0229 7.1737 7.1737 8.2473 8.2473 8.3042 8.3042 12.9109 12.9109 15.2642 15.2642 16.7348 16.7348 k = 0.4265 0.4160 0.3044 ( 4928 PWs) bands (ev): -36.7743 -36.7743 -36.7335 -36.7335 -10.1806 -10.1806 -10.1374 -10.1374 1.9705 1.9705 2.3128 2.3128 3.2868 3.2868 3.5293 3.5293 3.9551 3.9551 4.4079 4.4079 6.5778 6.5778 7.0236 7.0236 7.1705 7.1705 8.2527 8.2527 8.3073 8.3073 12.9910 12.9910 15.2950 15.2950 16.6632 16.6632 k = 0.4216 0.4245 0.3044 ( 4926 PWs) bands (ev): -36.7734 -36.7734 -36.7341 -36.7341 -10.1781 -10.1781 -10.1355 -10.1355 1.9894 1.9894 2.3293 2.3293 3.2650 3.2650 3.4978 3.4978 3.9374 3.9374 4.3813 4.3813 6.6023 6.6023 7.0240 7.0240 7.1673 7.1673 8.2585 8.2585 8.3106 8.3106 13.0742 13.0742 15.3272 15.3272 16.5898 16.5898 k = 0.4167 0.4330 0.3044 ( 4926 PWs) bands (ev): -36.7725 -36.7725 -36.7348 -36.7348 -10.1755 -10.1755 -10.1336 -10.1336 2.0092 2.0092 2.3468 2.3468 3.2421 3.2421 3.4608 3.4608 3.9249 3.9249 4.3544 4.3544 6.6261 6.6261 7.0243 7.0243 7.1641 7.1641 8.2646 8.2646 8.3139 8.3139 13.1601 13.1601 15.3606 15.3606 16.5150 16.5150 k = 0.4118 0.4415 0.3044 ( 4930 PWs) bands (ev): -36.7716 -36.7716 -36.7355 -36.7355 -10.1728 -10.1728 -10.1317 -10.1317 2.0299 2.0299 2.3653 2.3653 3.2182 3.2182 3.4192 3.4192 3.9171 3.9171 4.3275 4.3275 6.6489 6.6489 7.0244 7.0244 7.1611 7.1611 8.2710 8.2710 8.3173 8.3173 13.2483 13.2483 15.3952 15.3952 16.4395 16.4395 k = 0.4069 0.4500 0.3044 ( 4934 PWs) bands (ev): -36.7706 -36.7706 -36.7362 -36.7362 -10.1701 -10.1701 -10.1300 -10.1300 2.0514 2.0514 2.3847 2.3847 3.1934 3.1934 3.3740 3.3740 3.9134 3.9134 4.3008 4.3008 6.6706 6.6706 7.0243 7.0243 7.1583 7.1583 8.2775 8.2775 8.3208 8.3208 13.3383 13.3383 15.4308 15.4308 16.3636 16.3636 k = 0.4020 0.4585 0.3044 ( 4934 PWs) bands (ev): -36.7696 -36.7696 -36.7370 -36.7370 -10.1673 -10.1673 -10.1282 -10.1282 2.0738 2.0738 2.4051 2.4051 3.1677 3.1677 3.3262 3.3262 3.9129 3.9129 4.2745 4.2745 6.6911 6.6911 7.0239 7.0239 7.1556 7.1556 8.2841 8.2841 8.3243 8.3243 13.4296 13.4296 15.4672 15.4672 16.2881 16.2881 k = 0.3971 0.4670 0.3044 ( 4938 PWs) bands (ev): -36.7686 -36.7686 -36.7378 -36.7378 -10.1644 -10.1644 -10.1266 -10.1266 2.0968 2.0968 2.4265 2.4265 3.1413 3.1413 3.2766 3.2766 3.9149 3.9149 4.2487 4.2487 6.7104 6.7104 7.0232 7.0232 7.1532 7.1532 8.2907 8.2907 8.3278 8.3278 13.5216 13.5216 15.5044 15.5044 16.2135 16.2135 k = 0.3922 0.4755 0.3044 ( 4940 PWs) bands (ev): -36.7675 -36.7675 -36.7387 -36.7387 -10.1615 -10.1615 -10.1252 -10.1252 2.1204 2.1204 2.4487 2.4487 3.1142 3.1142 3.2261 3.2261 3.9190 3.9190 4.2236 4.2236 6.7283 6.7283 7.0224 7.0224 7.1511 7.1511 8.2972 8.2972 8.3314 8.3314 13.6138 13.6138 15.5421 15.5421 16.1404 16.1404 k = 0.3873 0.4840 0.3044 ( 4936 PWs) bands (ev): -36.7663 -36.7663 -36.7396 -36.7396 -10.1585 -10.1585 -10.1239 -10.1239 2.1445 2.1445 2.4718 2.4718 3.0866 3.0866 3.1754 3.1754 3.9246 3.9246 4.1994 4.1994 6.7447 6.7447 7.0214 7.0214 7.1492 7.1492 8.3036 8.3036 8.3349 8.3349 13.7055 13.7055 15.5802 15.5802 16.0698 16.0698 k = 0.3824 0.4924 0.3044 ( 4930 PWs) bands (ev): -36.7652 -36.7652 -36.7405 -36.7405 -10.1556 -10.1556 -10.1227 -10.1227 2.1689 2.1689 2.4959 2.4959 3.0583 3.0583 3.1251 3.1251 3.9314 3.9314 4.1761 4.1761 6.7596 6.7596 7.0203 7.0203 7.1477 7.1477 8.3097 8.3097 8.3384 8.3384 13.7958 13.7958 15.6184 15.6184 16.0023 16.0023 k = 0.3775 0.5009 0.3044 ( 4934 PWs) bands (ev): -36.7640 -36.7640 -36.7415 -36.7415 -10.1526 -10.1526 -10.1218 -10.1218 2.1934 2.1934 2.5207 2.5207 3.0296 3.0296 3.0759 3.0759 3.9390 3.9390 4.1540 4.1540 6.7729 6.7729 7.0191 7.0191 7.1464 7.1464 8.3154 8.3154 8.3418 8.3418 13.8838 13.8838 15.6564 15.6564 15.9391 15.9391 k = 0.3725 0.5094 0.3044 ( 4930 PWs) bands (ev): -36.7628 -36.7628 -36.7425 -36.7425 -10.1496 -10.1496 -10.1212 -10.1212 2.2178 2.2178 2.5465 2.5465 3.0000 3.0000 3.0287 3.0287 3.9474 3.9474 4.1331 4.1331 6.7846 6.7846 7.0180 7.0180 7.1453 7.1453 8.3206 8.3206 8.3452 8.3452 13.9684 13.9684 15.6937 15.6937 15.8814 15.8814 k = 0.3676 0.5179 0.3044 ( 4922 PWs) bands (ev): -36.7615 -36.7615 -36.7436 -36.7436 -10.1467 -10.1467 -10.1208 -10.1208 2.2418 2.2418 2.5730 2.5730 2.9683 2.9683 2.9855 2.9855 3.9562 3.9562 4.1135 4.1135 6.7947 6.7947 7.0169 7.0169 7.1446 7.1446 8.3254 8.3254 8.3485 8.3485 14.0482 14.0482 15.7294 15.7294 15.8309 15.8309 k = 0.3627 0.5264 0.3044 ( 4926 PWs) bands (ev): -36.7603 -36.7603 -36.7447 -36.7447 -10.1438 -10.1438 -10.1206 -10.1206 2.2650 2.2650 2.6003 2.6003 2.9316 2.9316 2.9499 2.9499 3.9653 3.9653 4.0952 4.0952 6.8031 6.8031 7.0159 7.0159 7.1440 7.1440 8.3295 8.3295 8.3516 8.3516 14.1217 14.1217 15.7599 15.7599 15.7919 15.7919 k = 0.3578 0.5349 0.3044 ( 4928 PWs) bands (ev): -36.7590 -36.7590 -36.7459 -36.7459 -10.1410 -10.1410 -10.1209 -10.1209 2.2869 2.2869 2.6283 2.6283 2.8932 2.8932 2.9194 2.9194 3.9745 3.9745 4.0785 4.0785 6.8100 6.8100 7.0152 7.0152 7.1436 7.1436 8.3331 8.3331 8.3544 8.3544 14.1871 14.1871 15.7506 15.7506 15.7994 15.7994 k = 0.3529 0.5434 0.3044 ( 4932 PWs) bands (ev): -36.7577 -36.7577 -36.7471 -36.7471 -10.1382 -10.1382 -10.1214 -10.1214 2.3068 2.3068 2.6571 2.6571 2.8575 2.8575 2.8904 2.8904 3.9837 3.9837 4.0632 4.0632 6.8154 6.8154 7.0146 7.0146 7.1434 7.1434 8.3361 8.3361 8.3569 8.3569 14.2427 14.2427 15.7312 15.7312 15.8234 15.8234 k = 0.3480 0.5519 0.3044 ( 4924 PWs) bands (ev): -36.7563 -36.7563 -36.7483 -36.7483 -10.1355 -10.1355 -10.1223 -10.1223 2.3238 2.3238 2.6865 2.6865 2.8265 2.8265 2.8623 2.8623 3.9928 3.9928 4.0496 4.0496 6.8193 6.8193 7.0142 7.0142 7.1432 7.1432 8.3384 8.3384 8.3589 8.3589 14.2868 14.2868 15.7240 15.7240 15.8397 15.8397 k = 0.3431 0.5604 0.3044 ( 4940 PWs) bands (ev): -36.7550 -36.7550 -36.7496 -36.7496 -10.1329 -10.1329 -10.1236 -10.1236 2.3371 2.3371 2.7164 2.7164 2.8015 2.8015 2.8348 2.8348 4.0016 4.0016 4.0375 4.0375 6.8220 6.8220 7.0140 7.0140 7.1432 7.1432 8.3402 8.3402 8.3603 8.3603 14.3183 14.3183 15.7311 15.7311 15.8432 15.8432 k = 0.3382 0.5689 0.3044 ( 4936 PWs) bands (ev): -36.7536 -36.7536 -36.7509 -36.7509 -10.1304 -10.1304 -10.1252 -10.1252 2.3455 2.3455 2.7466 2.7466 2.7836 2.7836 2.8085 2.8085 4.0101 4.0101 4.0272 4.0272 6.8234 6.8234 7.0139 7.0139 7.1432 7.1432 8.3413 8.3413 8.3612 8.3612 14.3368 14.3368 15.7523 15.7523 15.8296 15.8296 k = 0.3333 0.5774 0.3044 ( 4932 PWs) bands (ev): -36.7522 -36.7522 -36.7522 -36.7522 -10.1289 -10.1289 -10.1264 -10.1264 2.3484 2.3484 2.7685 2.7685 2.7769 2.7769 2.7885 2.7885 4.0170 4.0170 4.0197 4.0197 6.8239 6.8239 7.0139 7.0139 7.1432 7.1432 8.3417 8.3417 8.3615 8.3615 14.3427 14.3427 15.7771 15.7771 15.8072 15.8072 k = 0.3333 0.5774 0.3044 ( 4932 PWs) bands (ev): -36.7522 -36.7522 -36.7522 -36.7522 -10.1289 -10.1289 -10.1264 -10.1264 2.3484 2.3484 2.7685 2.7685 2.7769 2.7769 2.7885 2.7885 4.0170 4.0170 4.0197 4.0197 6.8239 6.8239 7.0139 7.0139 7.1432 7.1432 8.3417 8.3417 8.3615 8.3615 14.3427 14.3427 15.7771 15.7771 15.8072 15.8072 k = 0.3284 0.5689 0.3044 ( 4932 PWs) bands (ev): -36.7536 -36.7536 -36.7509 -36.7509 -10.1306 -10.1306 -10.1250 -10.1250 2.3455 2.3455 2.7534 2.7534 2.7725 2.7725 2.8128 2.8128 4.0112 4.0112 4.0261 4.0261 6.8235 6.8235 7.0139 7.0139 7.1431 7.1431 8.3412 8.3412 8.3612 8.3612 14.3373 14.3373 15.7383 15.7383 15.8444 15.8444 k = 0.3235 0.5604 0.3044 ( 4936 PWs) bands (ev): -36.7551 -36.7551 -36.7495 -36.7495 -10.1336 -10.1336 -10.1229 -10.1229 2.3375 2.3375 2.7299 2.7299 2.7780 2.7780 2.8448 2.8448 4.0059 4.0059 4.0330 4.0330 6.8224 6.8224 7.0138 7.0138 7.1431 7.1431 8.3398 8.3398 8.3605 8.3605 14.3223 14.3223 15.6754 15.6754 15.9048 15.9048 k = 0.3186 0.5519 0.3044 ( 4938 PWs) bands (ev): -36.7566 -36.7566 -36.7481 -36.7481 -10.1371 -10.1371 -10.1209 -10.1209 2.3252 2.3252 2.7067 2.7067 2.7905 2.7905 2.8776 2.8776 4.0023 4.0023 4.0394 4.0394 6.8207 6.8207 7.0137 7.0137 7.1430 7.1430 8.3372 8.3372 8.3596 8.3596 14.2997 14.2997 15.6036 15.6036 15.9754 15.9754 k = 0.3137 0.5434 0.3044 ( 4930 PWs) bands (ev): -36.7581 -36.7581 -36.7467 -36.7467 -10.1412 -10.1412 -10.1190 -10.1190 2.3101 2.3101 2.6844 2.6844 2.8087 2.8087 2.9111 2.9111 4.0005 4.0005 4.0451 4.0451 6.8187 6.8187 7.0133 7.0133 7.1428 7.1428 8.3333 8.3333 8.3584 8.3584 14.2713 14.2713 15.5268 15.5268 16.0538 16.0538 k = 0.3088 0.5349 0.3044 ( 4934 PWs) bands (ev): -36.7596 -36.7596 -36.7453 -36.7453 -10.1458 -10.1458 -10.1172 -10.1172 2.2933 2.2933 2.6632 2.6632 2.8311 2.8311 2.9451 2.9451 4.0003 4.0003 4.0499 4.0499 6.8163 6.8163 7.0128 7.0128 7.1426 7.1426 8.3279 8.3279 8.3571 8.3571 14.2386 14.2386 15.4471 15.4471 16.1382 16.1382 k = 0.3039 0.5264 0.3044 ( 4934 PWs) bands (ev): -36.7612 -36.7612 -36.7439 -36.7439 -10.1510 -10.1510 -10.1156 -10.1156 2.2757 2.2757 2.6432 2.6432 2.8568 2.8568 2.9795 2.9795 4.0019 4.0019 4.0540 4.0540 6.8137 6.8137 7.0121 7.0121 7.1422 7.1422 8.3211 8.3211 8.3558 8.3558 14.2030 14.2030 15.3660 15.3660 16.2268 16.2268 k = 0.2990 0.5179 0.3044 ( 4928 PWs) bands (ev): -36.7628 -36.7628 -36.7425 -36.7425 -10.1567 -10.1567 -10.1141 -10.1141 2.2583 2.2583 2.6245 2.6245 2.8850 2.8850 3.0143 3.0143 4.0051 4.0051 4.0571 4.0571 6.8110 6.8110 7.0112 7.0112 7.1418 7.1418 8.3128 8.3128 8.3543 8.3543 14.1656 14.1656 15.2843 15.2843 16.3186 16.3186 k = 0.2941 0.5094 0.3044 ( 4926 PWs) bands (ev): -36.7645 -36.7645 -36.7411 -36.7411 -10.1630 -10.1630 -10.1128 -10.1128 2.2415 2.2415 2.6071 2.6071 2.9151 2.9151 3.0495 3.0495 4.0100 4.0100 4.0594 4.0594 6.8082 6.8082 7.0100 7.0100 7.1413 7.1413 8.3032 8.3032 8.3527 8.3527 14.1273 14.1273 15.2026 15.2026 16.4124 16.4124 k = 0.2892 0.5009 0.3044 ( 4930 PWs) bands (ev): -36.7662 -36.7662 -36.7397 -36.7397 -10.1699 -10.1699 -10.1117 -10.1117 2.2259 2.2259 2.5911 2.5911 2.9466 2.9466 3.0850 3.0850 4.0166 4.0166 4.0607 4.0607 6.8054 6.8054 7.0085 7.0085 7.1408 7.1408 8.2923 8.2923 8.3509 8.3509 14.0887 14.0887 15.1213 15.1213 16.5073 16.5073 k = 0.2843 0.4924 0.3044 ( 4930 PWs) bands (ev): -36.7679 -36.7679 -36.7383 -36.7383 -10.1773 -10.1773 -10.1107 -10.1107 2.2117 2.2117 2.5766 2.5766 2.9792 2.9792 3.1208 3.1208 4.0247 4.0247 4.0610 4.0610 6.8026 6.8026 7.0069 7.0069 7.1403 7.1403 8.2801 8.2801 8.3489 8.3489 14.0503 14.0503 15.0406 15.0406 16.6025 16.6025 k = 0.2794 0.4840 0.3044 ( 4924 PWs) bands (ev): -36.7697 -36.7697 -36.7369 -36.7369 -10.1852 -10.1852 -10.1099 -10.1099 2.1993 2.1993 2.5635 2.5635 3.0125 3.0125 3.1570 3.1570 4.0343 4.0343 4.0604 4.0604 6.7999 6.7999 7.0050 7.0050 7.1397 7.1397 8.2667 8.2667 8.3467 8.3467 14.0126 14.0126 14.9608 14.9608 16.6972 16.6972 k = 0.2745 0.4755 0.3044 ( 4932 PWs) bands (ev): -36.7715 -36.7715 -36.7356 -36.7356 -10.1938 -10.1938 -10.1094 -10.1094 2.1886 2.1886 2.5520 2.5520 3.0464 3.0464 3.1934 3.1934 4.0451 4.0451 4.0592 4.0592 6.7972 6.7972 7.0028 7.0028 7.1393 7.1393 8.2521 8.2521 8.3443 8.3443 13.9758 13.9758 14.8821 14.8821 16.7907 16.7907 k = 0.2696 0.4670 0.3044 ( 4936 PWs) bands (ev): -36.7733 -36.7733 -36.7342 -36.7342 -10.2029 -10.2029 -10.1090 -10.1090 2.1800 2.1800 2.5420 2.5420 3.0807 3.0807 3.2300 3.2300 4.0534 4.0534 4.0610 4.0610 6.7945 6.7945 7.0005 7.0005 7.1389 7.1389 8.2365 8.2365 8.3417 8.3417 13.9402 13.9402 14.8045 14.8045 16.8821 16.8821 k = 0.2647 0.4585 0.3044 ( 4940 PWs) bands (ev): -36.7751 -36.7751 -36.7329 -36.7329 -10.2125 -10.2125 -10.1088 -10.1088 2.1734 2.1734 2.5336 2.5336 3.1152 3.1152 3.2670 3.2670 4.0514 4.0514 4.0733 4.0733 6.7919 6.7919 6.9979 6.9979 7.1387 7.1387 8.2200 8.2200 8.3389 8.3389 13.9058 13.9058 14.7281 14.7281 16.9695 16.9695 k = 0.2598 0.4500 0.3044 ( 4938 PWs) bands (ev): -36.7770 -36.7770 -36.7316 -36.7316 -10.2227 -10.2227 -10.1087 -10.1087 2.1689 2.1689 2.5268 2.5268 3.1498 3.1498 3.3041 3.3041 4.0471 4.0471 4.0884 4.0884 6.7893 6.7893 6.9952 6.9952 7.1388 7.1388 8.2025 8.2025 8.3359 8.3359 13.8730 13.8730 14.6530 14.6530 17.0471 17.0471 k = 0.2549 0.4415 0.3044 ( 4930 PWs) bands (ev): -36.7789 -36.7789 -36.7303 -36.7303 -10.2335 -10.2335 -10.1089 -10.1089 2.1664 2.1664 2.5215 2.5215 3.1845 3.1845 3.3416 3.3416 4.0418 4.0418 4.1048 4.1048 6.7866 6.7866 6.9922 6.9922 7.1391 7.1391 8.1843 8.1843 8.3327 8.3327 13.8416 13.8416 14.5792 14.5792 17.1166 17.1166 k = 0.2500 0.4330 0.3044 ( 4934 PWs) bands (ev): -36.7808 -36.7808 -36.7290 -36.7290 -10.2448 -10.2448 -10.1093 -10.1093 2.1662 2.1662 2.5179 2.5179 3.2190 3.2190 3.3792 3.3792 4.0355 4.0355 4.1223 4.1223 6.7839 6.7839 6.9891 6.9891 7.1398 7.1398 8.1655 8.1655 8.3293 8.3293 13.8118 13.8118 14.5066 14.5066 17.1854 17.1854 k = 0.2451 0.4245 0.3044 ( 4930 PWs) bands (ev): -36.7827 -36.7827 -36.7277 -36.7277 -10.2565 -10.2565 -10.1098 -10.1098 2.1680 2.1680 2.5160 2.5160 3.2533 3.2533 3.4172 3.4172 4.0285 4.0285 4.1408 4.1408 6.7811 6.7811 6.9858 6.9858 7.1409 7.1409 8.1461 8.1461 8.3258 8.3258 13.7836 13.7836 14.4354 14.4354 17.2549 17.2549 k = 0.2402 0.4160 0.3044 ( 4930 PWs) bands (ev): -36.7847 -36.7847 -36.7265 -36.7265 -10.2688 -10.2688 -10.1106 -10.1106 2.1718 2.1718 2.5156 2.5156 3.2874 3.2874 3.4554 3.4554 4.0207 4.0207 4.1601 4.1601 6.7782 6.7782 6.9823 6.9823 7.1425 7.1425 8.1262 8.1262 8.3221 8.3221 13.7569 13.7569 14.3656 14.3656 17.3252 17.3252 k = 0.2353 0.4075 0.3044 ( 4936 PWs) bands (ev): -36.7866 -36.7866 -36.7252 -36.7252 -10.2816 -10.2816 -10.1115 -10.1115 2.1777 2.1777 2.5169 2.5169 3.3212 3.3212 3.4939 3.4939 4.0123 4.0123 4.1801 4.1801 6.7752 6.7752 6.9786 6.9786 7.1446 7.1446 8.1061 8.1061 8.3183 8.3183 13.7317 13.7317 14.2970 14.2970 17.3957 17.3957 k = 0.2304 0.3991 0.3044 ( 4932 PWs) bands (ev): -36.7886 -36.7886 -36.7240 -36.7240 -10.2948 -10.2948 -10.1126 -10.1126 2.1854 2.1854 2.5197 2.5197 3.3545 3.3545 3.5326 3.5326 4.0034 4.0034 4.2007 4.2007 6.7720 6.7720 6.9747 6.9747 7.1473 7.1473 8.0858 8.0858 8.3144 8.3144 13.7080 13.7080 14.2297 14.2297 17.4623 17.4623 k = 0.2255 0.3906 0.3044 ( 4944 PWs) bands (ev): -36.7906 -36.7906 -36.7229 -36.7229 -10.3084 -10.3084 -10.1139 -10.1139 2.1950 2.1950 2.5241 2.5241 3.3874 3.3874 3.5717 3.5717 3.9941 3.9941 4.2216 4.2216 6.7687 6.7687 6.9706 6.9706 7.1505 7.1505 8.0655 8.0655 8.3103 8.3103 13.6858 13.6858 14.1637 14.1637 17.5127 17.5127 k = 0.2206 0.3821 0.3044 ( 4948 PWs) bands (ev): -36.7926 -36.7926 -36.7217 -36.7217 -10.3225 -10.3225 -10.1153 -10.1153 2.2064 2.2064 2.5301 2.5301 3.4199 3.4199 3.6111 3.6111 3.9845 3.9845 4.2427 4.2427 6.7653 6.7653 6.9664 6.9664 7.1544 7.1544 8.0453 8.0453 8.3062 8.3062 13.6649 13.6649 14.0989 14.0989 17.5475 17.5475 k = 0.2157 0.3736 0.3044 ( 4944 PWs) bands (ev): -36.7947 -36.7947 -36.7206 -36.7206 -10.3369 -10.3369 -10.1169 -10.1169 2.2194 2.2194 2.5377 2.5377 3.4517 3.4517 3.6509 3.6509 3.9748 3.9748 4.2639 4.2639 6.7616 6.7616 6.9620 6.9620 7.1588 7.1588 8.0254 8.0254 8.3021 8.3021 13.6453 13.6453 14.0353 14.0353 17.5704 17.5704 k = 0.2108 0.3651 0.3044 ( 4944 PWs) bands (ev): -36.7967 -36.7967 -36.7195 -36.7195 -10.3517 -10.3517 -10.1187 -10.1187 2.2338 2.2338 2.5468 2.5468 3.4829 3.4829 3.6910 3.6910 3.9651 3.9651 4.2849 4.2849 6.7579 6.7579 6.9574 6.9574 7.1637 7.1637 8.0059 8.0059 8.2979 8.2979 13.6269 13.6269 13.9729 13.9729 17.5817 17.5817 k = 0.2059 0.3566 0.3044 ( 4952 PWs) bands (ev): -36.7987 -36.7987 -36.7184 -36.7184 -10.3668 -10.3668 -10.1206 -10.1206 2.2496 2.2496 2.5574 2.5574 3.5134 3.5134 3.7315 3.7315 3.9557 3.9557 4.3057 4.3057 6.7540 6.7540 6.9527 6.9527 7.1691 7.1691 7.9870 7.9870 8.2938 8.2938 13.6096 13.6096 13.9117 13.9117 17.5811 17.5811 k = 0.2010 0.3481 0.3044 ( 4948 PWs) bands (ev): -36.8007 -36.8007 -36.7174 -36.7174 -10.3822 -10.3822 -10.1226 -10.1226 2.2666 2.2666 2.5694 2.5694 3.5431 3.5431 3.7723 3.7723 3.9468 3.9468 4.3259 4.3259 6.7501 6.7501 6.9478 6.9478 7.1749 7.1749 7.9688 7.9688 8.2898 8.2898 13.5933 13.5933 13.8515 13.8515 17.5690 17.5690 k = 0.1961 0.3396 0.3044 ( 4948 PWs) bands (ev): -36.8027 -36.8027 -36.7164 -36.7164 -10.3978 -10.3978 -10.1248 -10.1248 2.2846 2.2846 2.5829 2.5829 3.5718 3.5718 3.8135 3.8135 3.9387 3.9387 4.3455 4.3455 6.7461 6.7461 6.9428 6.9428 7.1811 7.1811 7.9515 7.9515 8.2858 8.2858 13.5780 13.5780 13.7925 13.7925 17.5457 17.5457 k = 0.1912 0.3311 0.3044 ( 4944 PWs) bands (ev): -36.8048 -36.8048 -36.7154 -36.7154 -10.4137 -10.4137 -10.1271 -10.1271 2.3035 2.3035 2.5978 2.5978 3.5995 3.5995 3.8550 3.8550 3.9317 3.9317 4.3643 4.3643 6.7420 6.7420 6.9377 6.9377 7.1874 7.1874 7.9352 7.9352 8.2820 8.2820 13.5635 13.5635 13.7344 13.7344 17.5121 17.5121 k = 0.1863 0.3226 0.3044 ( 4948 PWs) bands (ev): -36.8068 -36.8068 -36.7144 -36.7144 -10.4298 -10.4298 -10.1295 -10.1295 2.3229 2.3229 2.6141 2.6141 3.6258 3.6258 3.8964 3.8964 3.9267 3.9267 4.3821 4.3821 6.7380 6.7380 6.9324 6.9324 7.1939 7.1939 7.9202 7.9202 8.2784 8.2784 13.5498 13.5498 13.6774 13.6774 17.4691 17.4691 k = 0.1814 0.3141 0.3044 ( 4948 PWs) bands (ev): -36.8088 -36.8088 -36.7135 -36.7135 -10.4460 -10.4460 -10.1320 -10.1320 2.3427 2.3427 2.6317 2.6317 3.6505 3.6505 3.9207 3.9207 3.9411 3.9411 4.3988 4.3988 6.7340 6.7340 6.9270 6.9270 7.2004 7.2004 7.9065 7.9065 8.2750 8.2750 13.5367 13.5367 13.6214 13.6214 17.4180 17.4180 k = 0.1765 0.3057 0.3044 ( 4948 PWs) bands (ev): -36.8108 -36.8108 -36.7126 -36.7126 -10.4623 -10.4623 -10.1347 -10.1347 2.3628 2.3628 2.6506 2.6506 3.6732 3.6732 3.9208 3.9208 3.9827 3.9827 4.4141 4.4141 6.7300 6.7300 6.9214 6.9214 7.2068 7.2068 7.8944 7.8944 8.2718 8.2718 13.5240 13.5240 13.5665 13.5665 17.3599 17.3599 k = 0.1716 0.2972 0.3044 ( 4960 PWs) bands (ev): -36.8128 -36.8128 -36.7117 -36.7117 -10.4788 -10.4788 -10.1374 -10.1374 2.3828 2.3828 2.6708 2.6708 3.6932 3.6932 3.9234 3.9234 4.0255 4.0255 4.4280 4.4280 6.7261 6.7261 6.9156 6.9156 7.2129 7.2129 7.8840 7.8840 8.2691 8.2691 13.5084 13.5084 13.5159 13.5159 17.2961 17.2961 k = 0.1667 0.2887 0.3044 ( 4968 PWs) bands (ev): -36.8147 -36.8147 -36.7109 -36.7109 -10.4953 -10.4953 -10.1402 -10.1402 2.4025 2.4025 2.6922 2.6922 3.7101 3.7101 3.9301 3.9301 4.0686 4.0686 4.4404 4.4404 6.7223 6.7223 6.9096 6.9096 7.2186 7.2186 7.8755 7.8755 8.2667 8.2667 13.4583 13.4583 13.5010 13.5010 17.2276 17.2276 k = 0.1618 0.2802 0.3044 ( 4968 PWs) bands (ev): -36.8167 -36.8167 -36.7101 -36.7101 -10.5118 -10.5118 -10.1430 -10.1430 2.4217 2.4217 2.7148 2.7148 3.7236 3.7236 3.9413 3.9413 4.1120 4.1120 4.4512 4.4512 6.7187 6.7187 6.9033 6.9033 7.2238 7.2238 7.8690 7.8690 8.2648 8.2648 13.4061 13.4061 13.4894 13.4894 17.1555 17.1555 k = 0.1569 0.2717 0.3044 ( 4964 PWs) bands (ev): -36.8186 -36.8186 -36.7093 -36.7093 -10.5282 -10.5282 -10.1459 -10.1459 2.4402 2.4402 2.7385 2.7385 3.7338 3.7338 3.9573 3.9573 4.1555 4.1555 4.4603 4.4603 6.7151 6.7151 6.8966 6.8966 7.2284 7.2284 7.8646 7.8646 8.2633 8.2633 13.3547 13.3547 13.4781 13.4781 17.0805 17.0805 k = 0.1520 0.2632 0.3044 ( 4956 PWs) bands (ev): -36.8205 -36.8205 -36.7085 -36.7085 -10.5447 -10.5447 -10.1489 -10.1489 2.4578 2.4578 2.7633 2.7633 3.7409 3.7409 3.9779 3.9779 4.1990 4.1990 4.4676 4.4676 6.7116 6.7116 6.8895 6.8895 7.2322 7.2322 7.8624 7.8624 8.2625 8.2625 13.3040 13.3040 13.4669 13.4669 17.0036 17.0036 k = 0.1471 0.2547 0.3044 ( 4968 PWs) bands (ev): -36.8223 -36.8223 -36.7078 -36.7078 -10.5610 -10.5610 -10.1519 -10.1519 2.4743 2.4743 2.7891 2.7891 3.7457 3.7457 4.0027 4.0027 4.2423 4.2423 4.4734 4.4734 6.7083 6.7083 6.8820 6.8820 7.2351 7.2351 7.8627 7.8627 8.2622 8.2622 13.2543 13.2543 13.4558 13.4558 16.9253 16.9253 k = 0.1422 0.2462 0.3044 ( 4976 PWs) bands (ev): -36.8242 -36.8242 -36.7071 -36.7071 -10.5772 -10.5772 -10.1549 -10.1549 2.4895 2.4895 2.8159 2.8159 3.7489 3.7489 4.0310 4.0310 4.2852 4.2852 4.4776 4.4776 6.7050 6.7050 6.8739 6.8739 7.2369 7.2369 7.8653 7.8653 8.2626 8.2626 13.2054 13.2054 13.4445 13.4445 16.8464 16.8464 k = 0.1373 0.2377 0.3044 ( 4972 PWs) bands (ev): -36.8260 -36.8260 -36.7065 -36.7065 -10.5932 -10.5932 -10.1579 -10.1579 2.5033 2.5033 2.8437 2.8437 3.7509 3.7509 4.0625 4.0625 4.3271 4.3271 4.4808 4.4808 6.7019 6.7019 6.8652 6.8652 7.2376 7.2376 7.8705 7.8705 8.2637 8.2637 13.1574 13.1574 13.4331 13.4331 16.7671 16.7671 k = 0.1324 0.2292 0.3044 ( 4962 PWs) bands (ev): -36.8277 -36.8277 -36.7058 -36.7058 -10.6090 -10.6090 -10.1610 -10.1610 2.5156 2.5156 2.8725 2.8725 3.7523 3.7523 4.0967 4.0967 4.3667 4.3667 4.4842 4.4842 6.6988 6.6988 6.8559 6.8559 7.2370 7.2370 7.8782 7.8782 8.2654 8.2654 13.1102 13.1102 13.4214 13.4214 16.6882 16.6882 k = 0.1275 0.2208 0.3044 ( 4970 PWs) bands (ev): -36.8295 -36.8295 -36.7052 -36.7052 -10.6246 -10.6246 -10.1640 -10.1640 2.5264 2.5264 2.9020 2.9020 3.7533 3.7533 4.1335 4.1335 4.4010 4.4010 4.4908 4.4908 6.6957 6.6957 6.8460 6.8460 7.2351 7.2351 7.8884 7.8884 8.2680 8.2680 13.0640 13.0640 13.4095 13.4095 16.6098 16.6098 k = 0.1225 0.2123 0.3044 ( 4974 PWs) bands (ev): -36.8312 -36.8312 -36.7046 -36.7046 -10.6399 -10.6399 -10.1670 -10.1670 2.5355 2.5355 2.9324 2.9324 3.7541 3.7541 4.1726 4.1726 4.4233 4.4233 4.5070 4.5070 6.6926 6.6926 6.8353 6.8353 7.2317 7.2317 7.9011 7.9011 8.2712 8.2712 13.0188 13.0188 13.3971 13.3971 16.5325 16.5325 k = 0.1176 0.2038 0.3044 ( 4974 PWs) bands (ev): -36.8328 -36.8328 -36.7041 -36.7041 -10.6549 -10.6549 -10.1700 -10.1700 2.5431 2.5431 2.9636 2.9636 3.7548 3.7548 4.2138 4.2138 4.4305 4.4305 4.5362 4.5362 6.6896 6.6896 6.8240 6.8240 7.2269 7.2269 7.9162 7.9162 8.2752 8.2752 12.9746 12.9746 13.3843 13.3843 16.4565 16.4565 k = 0.1127 0.1953 0.3044 ( 4966 PWs) bands (ev): -36.8344 -36.8344 -36.7036 -36.7036 -10.6695 -10.6695 -10.1729 -10.1729 2.5491 2.5491 2.9954 2.9954 3.7555 3.7555 4.2571 4.2571 4.4279 4.4279 4.5730 4.5730 6.6864 6.6864 6.8120 6.8120 7.2205 7.2205 7.9335 7.9335 8.2798 8.2798 12.9313 12.9313 13.3711 13.3711 16.3820 16.3820 k = 0.1078 0.1868 0.3044 ( 4968 PWs) bands (ev): -36.8360 -36.8360 -36.7031 -36.7031 -10.6838 -10.6838 -10.1758 -10.1758 2.5537 2.5537 3.0280 3.0280 3.7562 3.7562 4.3021 4.3021 4.4201 4.4201 4.6127 4.6127 6.6831 6.6831 6.7994 6.7994 7.2126 7.2126 7.9530 7.9530 8.2851 8.2851 12.8892 12.8892 13.3574 13.3574 16.3095 16.3095 k = 0.1029 0.1783 0.3044 ( 4976 PWs) bands (ev): -36.8375 -36.8375 -36.7026 -36.7026 -10.6977 -10.6977 -10.1787 -10.1787 2.5569 2.5569 3.0611 3.0611 3.7569 3.7569 4.3483 4.3483 4.4095 4.4095 4.6533 4.6533 6.6796 6.6796 6.7863 6.7863 7.2032 7.2032 7.9744 7.9744 8.2911 8.2911 12.8482 12.8482 13.3431 13.3431 16.2391 16.2391 k = 0.0980 0.1698 0.3044 ( 4968 PWs) bands (ev): -36.8389 -36.8389 -36.7022 -36.7022 -10.7111 -10.7111 -10.1814 -10.1814 2.5588 2.5588 3.0949 3.0949 3.7575 3.7575 4.3864 4.3864 4.4061 4.4061 4.6940 4.6940 6.6759 6.6759 6.7726 6.7726 7.1924 7.1924 7.9976 7.9976 8.2976 8.2976 12.8084 12.8084 13.3283 13.3283 16.1710 16.1710 k = 0.0931 0.1613 0.3044 ( 4972 PWs) bands (ev): -36.8403 -36.8403 -36.7017 -36.7017 -10.7241 -10.7241 -10.1841 -10.1841 2.5595 2.5595 3.1291 3.1291 3.7582 3.7582 4.3767 4.3767 4.4496 4.4496 4.7344 4.7344 6.6718 6.6718 6.7586 6.7586 7.1802 7.1802 8.0222 8.0222 8.3046 8.3046 12.7699 12.7699 13.3130 13.3130 16.1054 16.1054 k = 0.0882 0.1528 0.3044 ( 4976 PWs) bands (ev): -36.8416 -36.8416 -36.7014 -36.7014 -10.7366 -10.7366 -10.1867 -10.1867 2.5593 2.5593 3.1639 3.1639 3.7587 3.7587 4.3595 4.3595 4.5000 4.5000 4.7741 4.7741 6.6674 6.6674 6.7442 6.7442 7.1667 7.1667 8.0481 8.0481 8.3120 8.3120 12.7327 12.7327 13.2972 13.2972 16.0425 16.0425 k = 0.0833 0.1443 0.3044 ( 4976 PWs) bands (ev): -36.8429 -36.8429 -36.7010 -36.7010 -10.7486 -10.7486 -10.1893 -10.1893 2.5582 2.5582 3.1990 3.1990 3.7592 3.7592 4.3401 4.3401 4.5517 4.5517 4.8131 4.8131 6.6624 6.6624 6.7297 6.7297 7.1521 7.1521 8.0750 8.0750 8.3197 8.3197 12.6969 12.6969 13.2810 13.2810 15.9825 15.9825 k = 0.0784 0.1358 0.3044 ( 4972 PWs) bands (ev): -36.8441 -36.8441 -36.7006 -36.7006 -10.7600 -10.7600 -10.1917 -10.1917 2.5564 2.5564 3.2345 3.2345 3.7596 3.7596 4.3191 4.3191 4.6042 4.6042 4.8511 4.8511 6.6569 6.6569 6.7150 6.7150 7.1366 7.1366 8.1025 8.1025 8.3277 8.3277 12.6625 12.6625 13.2644 13.2644 15.9255 15.9255 k = 0.0735 0.1274 0.3044 ( 4970 PWs) bands (ev): -36.8453 -36.8453 -36.7003 -36.7003 -10.7709 -10.7709 -10.1940 -10.1940 2.5539 2.5539 3.2704 3.2704 3.7600 3.7600 4.2965 4.2965 4.6569 4.6569 4.8879 4.8879 6.6506 6.6506 6.7004 6.7004 7.1204 7.1204 8.1304 8.1304 8.3358 8.3358 12.6297 12.6297 13.2476 13.2476 15.8717 15.8717 k = 0.0686 0.1189 0.3044 ( 4978 PWs) bands (ev): -36.8464 -36.8464 -36.7000 -36.7000 -10.7811 -10.7811 -10.1962 -10.1962 2.5510 2.5510 3.3065 3.3065 3.7602 3.7602 4.2726 4.2726 4.7097 4.7097 4.9235 4.9235 6.6436 6.6436 6.6860 6.6860 7.1037 7.1037 8.1584 8.1584 8.3441 8.3441 12.5986 12.5986 13.2305 13.2305 15.8211 15.8211 k = 0.0637 0.1104 0.3044 ( 4974 PWs) bands (ev): -36.8474 -36.8474 -36.6997 -36.6997 -10.7908 -10.7908 -10.1983 -10.1983 2.5478 2.5478 3.3428 3.3428 3.7603 3.7603 4.2475 4.2475 4.7621 4.7621 4.9575 4.9575 6.6357 6.6357 6.6718 6.6718 7.0868 7.0868 8.1860 8.1860 8.3523 8.3523 12.5692 12.5692 13.2135 13.2135 15.7738 15.7738 k = 0.0588 0.1019 0.3044 ( 4974 PWs) bands (ev): -36.8483 -36.8483 -36.6995 -36.6995 -10.7998 -10.7998 -10.2002 -10.2002 2.5443 2.5443 3.3793 3.3793 3.7604 3.7604 4.2212 4.2212 4.8138 4.8138 4.9900 4.9900 6.6269 6.6269 6.6581 6.6581 7.0700 7.0700 8.2131 8.2131 8.3604 8.3604 12.5416 12.5416 13.1966 13.1966 15.7300 15.7300 k = 0.0539 0.0934 0.3044 ( 4974 PWs) bands (ev): -36.8492 -36.8492 -36.6992 -36.6992 -10.8082 -10.8082 -10.2021 -10.2021 2.5408 2.5408 3.4159 3.4159 3.7604 3.7604 4.1939 4.1939 4.8642 4.8642 5.0208 5.0208 6.6174 6.6174 6.6448 6.6448 7.0535 7.0535 8.2392 8.2392 8.3685 8.3685 12.5158 12.5158 13.1801 13.1801 15.6895 15.6895 k = 0.0490 0.0849 0.3044 ( 4970 PWs) bands (ev): -36.8500 -36.8500 -36.6990 -36.6990 -10.8159 -10.8159 -10.2037 -10.2037 2.5372 2.5372 3.4525 3.4525 3.7603 3.7603 4.1657 4.1657 4.9130 4.9130 5.0496 5.0496 6.6073 6.6073 6.6319 6.6319 7.0377 7.0377 8.2641 8.2641 8.3763 8.3763 12.4920 12.4920 13.1640 13.1640 15.6526 15.6526 k = 0.0441 0.0764 0.3044 ( 4966 PWs) bands (ev): -36.8507 -36.8507 -36.6988 -36.6988 -10.8229 -10.8229 -10.2053 -10.2053 2.5337 2.5337 3.4891 3.4891 3.7602 3.7602 4.1366 4.1366 4.9597 4.9597 5.0765 5.0765 6.5969 6.5969 6.6193 6.6193 7.0228 7.0228 8.2873 8.2873 8.3840 8.3840 12.4702 12.4702 13.1486 13.1486 15.6192 15.6192 k = 0.0392 0.0679 0.3044 ( 4970 PWs) bands (ev): -36.8514 -36.8514 -36.6987 -36.6987 -10.8292 -10.8292 -10.2067 -10.2067 2.5304 2.5304 3.5255 3.5255 3.7601 3.7601 4.1069 4.1069 5.0036 5.0036 5.1011 5.1011 6.5865 6.5865 6.6070 6.6070 7.0090 7.0090 8.3085 8.3085 8.3914 8.3914 12.4505 12.4505 13.1341 13.1341 15.5894 15.5894 k = 0.0343 0.0594 0.3044 ( 4970 PWs) bands (ev): -36.8520 -36.8520 -36.6985 -36.6985 -10.8348 -10.8348 -10.2079 -10.2079 2.5273 2.5273 3.5616 3.5616 3.7599 3.7599 4.0765 4.0765 5.0442 5.0442 5.1235 5.1235 6.5765 6.5765 6.5950 6.5950 6.9966 6.9966 8.3274 8.3274 8.3987 8.3987 12.4330 12.4330 13.1208 13.1208 15.5631 15.5631 k = 0.0294 0.0509 0.3044 ( 4966 PWs) bands (ev): -36.8525 -36.8525 -36.6984 -36.6984 -10.8397 -10.8397 -10.2090 -10.2090 2.5244 2.5244 3.5973 3.5973 3.7598 3.7598 4.0458 4.0458 5.0809 5.0809 5.1436 5.1436 6.5671 6.5671 6.5838 6.5838 6.9857 6.9857 8.3436 8.3436 8.4058 8.4058 12.4177 12.4177 13.1087 13.1087 15.5403 15.5403 k = 0.0245 0.0425 0.3044 ( 4958 PWs) bands (ev): -36.8529 -36.8529 -36.6983 -36.6983 -10.8439 -10.8439 -10.2099 -10.2099 2.5220 2.5220 3.6324 3.6324 3.7597 3.7597 4.0149 4.0149 5.1128 5.1128 5.1613 5.1613 6.5585 6.5585 6.5734 6.5734 6.9764 6.9764 8.3570 8.3570 8.4127 8.4127 12.4046 12.4046 13.0981 13.0981 15.5211 15.5211 k = 0.0196 0.0340 0.3044 ( 4954 PWs) bands (ev): -36.8533 -36.8533 -36.6982 -36.6982 -10.8473 -10.8473 -10.2106 -10.2106 2.5199 2.5199 3.6663 3.6663 3.7596 3.7596 3.9842 3.9842 5.1392 5.1392 5.1767 5.1767 6.5508 6.5508 6.5645 6.5645 6.9687 6.9687 8.3675 8.3675 8.4191 8.4191 12.3939 12.3939 13.0892 13.0892 15.5054 15.5054 k = 0.0147 0.0255 0.3044 ( 4954 PWs) bands (ev): -36.8536 -36.8536 -36.6981 -36.6981 -10.8499 -10.8499 -10.2112 -10.2112 2.5182 2.5182 3.6983 3.6983 3.7598 3.7598 3.9546 3.9546 5.1594 5.1594 5.1898 5.1898 6.5443 6.5443 6.5574 6.5574 6.9628 6.9628 8.3752 8.3752 8.4248 8.4248 12.3855 12.3855 13.0821 13.0821 15.4931 15.4931 k = 0.0098 0.0170 0.3044 ( 4946 PWs) bands (ev): -36.8537 -36.8537 -36.6981 -36.6981 -10.8518 -10.8518 -10.2116 -10.2116 2.5170 2.5170 3.7264 3.7264 3.7604 3.7604 3.9276 3.9276 5.1731 5.1731 5.2004 5.2004 6.5392 6.5392 6.5523 6.5523 6.9586 6.9586 8.3804 8.3804 8.4293 8.4293 12.3794 12.3794 13.0769 13.0769 15.4844 15.4844 k = 0.0049 0.0085 0.3044 ( 4942 PWs) bands (ev): -36.8539 -36.8539 -36.6980 -36.6980 -10.8530 -10.8530 -10.2119 -10.2119 2.5163 2.5163 3.7459 3.7459 3.7630 3.7630 3.9066 3.9066 5.1809 5.1809 5.2075 5.2075 6.5360 6.5360 6.5492 6.5492 6.9560 6.9560 8.3834 8.3834 8.4321 8.4321 12.3758 12.3758 13.0738 13.0738 15.4792 15.4792 k = 0.0000 0.0000 0.3044 ( 4938 PWs) bands (ev): -36.8539 -36.8539 -36.6980 -36.6980 -10.8534 -10.8534 -10.2120 -10.2120 2.5160 2.5160 3.7514 3.7514 3.7664 3.7664 3.8981 3.8981 5.1834 5.1834 5.2099 5.2099 6.5349 6.5349 6.5482 6.5482 6.9552 6.9552 8.3843 8.3843 8.4331 8.4331 12.3746 12.3746 13.0728 13.0728 15.4775 15.4775 k = 0.5000 0.2887 0.3044 ( 4956 PWs) bands (ev): -36.7807 -36.7807 -36.7291 -36.7291 -10.2005 -10.2005 -10.1549 -10.1549 1.8278 1.8278 2.1914 2.1914 3.4551 3.4551 3.6175 3.6175 4.3447 4.3447 4.6497 4.6497 6.2988 6.2988 7.0132 7.0132 7.2014 7.2014 8.2133 8.2133 8.2805 8.2805 12.3058 12.3058 15.0367 15.0367 17.3034 17.3034 k = 0.5000 0.2887 0.2949 ( 4944 PWs) bands (ev): -36.7807 -36.7807 -36.7291 -36.7291 -10.2005 -10.2005 -10.1548 -10.1548 1.8267 1.8267 2.1930 2.1930 3.4555 3.4555 3.6171 3.6171 4.3441 4.3441 4.6486 4.6486 6.2990 6.2990 7.0132 7.0132 7.2014 7.2014 8.2137 8.2137 8.2805 8.2805 12.3084 12.3084 15.0376 15.0376 17.3021 17.3021 k = 0.5000 0.2887 0.2854 ( 4948 PWs) bands (ev): -36.7807 -36.7807 -36.7291 -36.7291 -10.2007 -10.2007 -10.1546 -10.1546 1.8236 1.8236 2.1980 2.1980 3.4566 3.4566 3.6156 3.6156 4.3422 4.3422 4.6454 4.6454 6.2995 6.2995 7.0132 7.0132 7.2015 7.2015 8.2148 8.2148 8.2806 8.2806 12.3162 12.3162 15.0405 15.0405 17.2982 17.2982 k = 0.5000 0.2887 0.2759 ( 4946 PWs) bands (ev): -36.7807 -36.7807 -36.7291 -36.7291 -10.2009 -10.2009 -10.1543 -10.1543 1.8187 1.8187 2.2060 2.2060 3.4585 3.4585 3.6133 3.6133 4.3392 4.3392 4.6399 4.6399 6.3003 6.3003 7.0132 7.0132 7.2017 7.2017 8.2167 8.2167 8.2808 8.2808 12.3291 12.3291 15.0451 15.0451 17.2916 17.2916 k = 0.5000 0.2887 0.2664 ( 4950 PWs) bands (ev): -36.7807 -36.7807 -36.7291 -36.7291 -10.2012 -10.2012 -10.1539 -10.1539 1.8121 1.8121 2.2168 2.2168 3.4611 3.4611 3.6101 3.6101 4.3349 4.3349 4.6324 4.6324 6.3014 6.3014 7.0133 7.0133 7.2018 7.2018 8.2193 8.2193 8.2811 8.2811 12.3471 12.3471 15.0516 15.0516 17.2824 17.2824 k = 0.5000 0.2887 0.2568 ( 4950 PWs) bands (ev): -36.7807 -36.7807 -36.7291 -36.7291 -10.2016 -10.2016 -10.1533 -10.1533 1.8043 1.8043 2.2301 2.2301 3.4644 3.4644 3.6061 3.6061 4.3294 4.3294 4.6228 4.6228 6.3027 6.3027 7.0133 7.0133 7.2021 7.2021 8.2225 8.2225 8.2815 8.2815 12.3703 12.3703 15.0597 15.0597 17.2705 17.2705 k = 0.5000 0.2887 0.2473 ( 4940 PWs) bands (ev): -36.7806 -36.7806 -36.7291 -36.7291 -10.2021 -10.2021 -10.1526 -10.1526 1.7956 1.7956 2.2453 2.2453 3.4685 3.4685 3.6014 3.6014 4.3227 4.3227 4.6112 4.6112 6.3043 6.3043 7.0134 7.0134 7.2024 7.2024 8.2262 8.2262 8.2822 8.2822 12.3984 12.3984 15.0695 15.0695 17.2558 17.2558 k = 0.5000 0.2887 0.2378 ( 4932 PWs) bands (ev): -36.7806 -36.7806 -36.7291 -36.7291 -10.2026 -10.2026 -10.1519 -10.1519 1.7862 1.7862 2.2623 2.2623 3.4733 3.4733 3.5961 3.5961 4.3150 4.3150 4.5976 4.5976 6.3061 6.3061 7.0135 7.0135 7.2027 7.2027 8.2304 8.2304 8.2831 8.2831 12.4314 12.4314 15.0807 15.0807 17.2382 17.2382 k = 0.5000 0.2887 0.2283 ( 4934 PWs) bands (ev): -36.7806 -36.7806 -36.7291 -36.7291 -10.2031 -10.2031 -10.1510 -10.1510 1.7764 1.7764 2.2807 2.2807 3.4788 3.4788 3.5902 3.5902 4.3061 4.3061 4.5823 4.5823 6.3081 6.3081 7.0135 7.0135 7.2030 7.2030 8.2348 8.2348 8.2844 8.2844 12.4692 12.4692 15.0933 15.0933 17.2175 17.2175 k = 0.5000 0.2887 0.2188 ( 4932 PWs) bands (ev): -36.7806 -36.7806 -36.7291 -36.7291 -10.2037 -10.2037 -10.1501 -10.1501 1.7664 1.7664 2.3001 2.3001 3.4850 3.4850 3.5839 3.5839 4.2963 4.2963 4.5653 4.5653 6.3102 6.3102 7.0136 7.0136 7.2033 7.2033 8.2393 8.2393 8.2863 8.2863 12.5118 12.5118 15.1071 15.1071 17.1934 17.1934 k = 0.5000 0.2887 0.2093 ( 4942 PWs) bands (ev): -36.7807 -36.7807 -36.7291 -36.7291 -10.2043 -10.2043 -10.1492 -10.1492 1.7564 1.7564 2.3203 2.3203 3.4918 3.4918 3.5774 3.5774 4.2854 4.2854 4.5467 4.5467 6.3124 6.3124 7.0137 7.0137 7.2037 7.2037 8.2437 8.2437 8.2888 8.2888 12.5590 12.5590 15.1219 15.1219 17.1655 17.1655 k = 0.5000 0.2887 0.1998 ( 4938 PWs) bands (ev): -36.7807 -36.7807 -36.7291 -36.7291 -10.2050 -10.2050 -10.1482 -10.1482 1.7466 1.7466 2.3411 2.3411 3.4993 3.4993 3.5708 3.5708 4.2737 4.2737 4.5266 4.5266 6.3147 6.3147 7.0138 7.0138 7.2040 7.2040 8.2476 8.2476 8.2922 8.2922 12.6106 12.6106 15.1375 15.1375 17.1336 17.1336 k = 0.5000 0.2887 0.1903 ( 4938 PWs) bands (ev): -36.7807 -36.7807 -36.7291 -36.7291 -10.2056 -10.2056 -10.1471 -10.1471 1.7370 1.7370 2.3622 2.3622 3.5074 3.5074 3.5643 3.5643 4.2611 4.2611 4.5052 4.5052 6.3170 6.3170 7.0139 7.0139 7.2044 7.2044 8.2510 8.2510 8.2966 8.2966 12.6665 12.6665 15.1537 15.1537 17.0972 17.0972 k = 0.5000 0.2887 0.1807 ( 4944 PWs) bands (ev): -36.7807 -36.7807 -36.7291 -36.7291 -10.2063 -10.2063 -10.1461 -10.1461 1.7277 1.7277 2.3834 2.3834 3.5161 3.5161 3.5580 3.5580 4.2477 4.2477 4.4825 4.4825 6.3193 6.3193 7.0140 7.0140 7.2047 7.2047 8.2538 8.2538 8.3020 8.3020 12.7265 12.7265 15.1703 15.1703 17.0558 17.0558 k = 0.5000 0.2887 0.1712 ( 4940 PWs) bands (ev): -36.7807 -36.7807 -36.7291 -36.7291 -10.2069 -10.2069 -10.1450 -10.1450 1.7189 1.7189 2.4046 2.4046 3.5252 3.5252 3.5522 3.5522 4.2336 4.2336 4.4588 4.4588 6.3215 6.3215 7.0141 7.0141 7.2050 7.2050 8.2559 8.2559 8.3082 8.3082 12.7904 12.7904 15.1870 15.1870 17.0091 17.0091 k = 0.5000 0.2887 0.1617 ( 4944 PWs) bands (ev): -36.7807 -36.7807 -36.7291 -36.7291 -10.2076 -10.2076 -10.1440 -10.1440 1.7105 1.7105 2.4254 2.4254 3.5342 3.5342 3.5477 3.5477 4.2189 4.2189 4.4342 4.4342 6.3237 6.3237 7.0142 7.0142 7.2053 7.2053 8.2575 8.2575 8.3151 8.3151 12.8580 12.8580 15.2036 15.2036 16.9569 16.9569 k = 0.5000 0.2887 0.1522 ( 4948 PWs) bands (ev): -36.7807 -36.7807 -36.7291 -36.7291 -10.2082 -10.2082 -10.1430 -10.1430 1.7027 1.7027 2.4458 2.4458 3.5387 3.5387 3.5489 3.5489 4.2036 4.2036 4.4088 4.4088 6.3258 6.3258 7.0143 7.0143 7.2056 7.2056 8.2588 8.2588 8.3226 8.3226 12.9290 12.9290 15.2197 15.2197 16.8988 16.8988 k = 0.5000 0.2887 0.1427 ( 4952 PWs) bands (ev): -36.7807 -36.7807 -36.7291 -36.7291 -10.2088 -10.2088 -10.1419 -10.1419 1.6953 1.6953 2.4656 2.4656 3.5364 3.5364 3.5582 3.5582 4.1879 4.1879 4.3829 4.3829 6.3278 6.3278 7.0144 7.0144 7.2059 7.2059 8.2597 8.2597 8.3303 8.3303 13.0032 13.0032 15.2352 15.2352 16.8351 16.8351 k = 0.5000 0.2887 0.1332 ( 4948 PWs) bands (ev): -36.7807 -36.7807 -36.7291 -36.7291 -10.2094 -10.2094 -10.1409 -10.1409 1.6885 1.6885 2.4845 2.4845 3.5338 3.5338 3.5692 3.5692 4.1718 4.1718 4.3565 4.3565 6.3296 6.3296 7.0145 7.0145 7.2061 7.2061 8.2604 8.2604 8.3382 8.3382 13.0801 13.0801 15.2497 15.2497 16.7660 16.7660 k = 0.5000 0.2887 0.1237 ( 4948 PWs) bands (ev): -36.7807 -36.7807 -36.7291 -36.7291 -10.2099 -10.2099 -10.1400 -10.1400 1.6822 1.6822 2.5025 2.5025 3.5322 3.5322 3.5807 3.5807 4.1555 4.1555 4.3299 4.3299 6.3314 6.3314 7.0146 7.0146 7.2062 7.2062 8.2609 8.2609 8.3461 8.3461 13.1596 13.1596 15.2628 15.2628 16.6922 16.6922 k = 0.5000 0.2887 0.1142 ( 4952 PWs) bands (ev): -36.7807 -36.7807 -36.7291 -36.7291 -10.2104 -10.2104 -10.1391 -10.1391 1.6765 1.6765 2.5195 2.5195 3.5316 3.5316 3.5926 3.5926 4.1390 4.1390 4.3033 4.3033 6.3330 6.3330 7.0147 7.0147 7.2064 7.2064 8.2614 8.2614 8.3539 8.3539 13.2410 13.2410 15.2741 15.2741 16.6146 16.6146 k = 0.5000 0.2887 0.1046 ( 4950 PWs) bands (ev): -36.7807 -36.7807 -36.7291 -36.7291 -10.2109 -10.2109 -10.1382 -10.1382 1.6713 1.6713 2.5352 2.5352 3.5322 3.5322 3.6048 3.6048 4.1225 4.1225 4.2769 4.2769 6.3345 6.3345 7.0147 7.0147 7.2065 7.2065 8.2617 8.2617 8.3614 8.3614 13.3240 13.3240 15.2833 15.2833 16.5343 16.5343 k = 0.5000 0.2887 0.0951 ( 4954 PWs) bands (ev): -36.7807 -36.7807 -36.7291 -36.7291 -10.2114 -10.2114 -10.1374 -10.1374 1.6667 1.6667 2.5496 2.5496 3.5340 3.5340 3.6171 3.6171 4.1061 4.1061 4.2509 4.2509 6.3358 6.3358 7.0148 7.0148 7.2066 7.2066 8.2620 8.2620 8.3686 8.3686 13.4079 13.4079 15.2898 15.2898 16.4529 16.4529 k = 0.5000 0.2887 0.0856 ( 4958 PWs) bands (ev): -36.7807 -36.7807 -36.7291 -36.7291 -10.2118 -10.2118 -10.1367 -10.1367 1.6625 1.6625 2.5627 2.5627 3.5369 3.5369 3.6293 3.6293 4.0900 4.0900 4.2257 4.2257 6.3371 6.3371 7.0149 7.0149 7.2067 7.2067 8.2622 8.2622 8.3754 8.3754 13.4919 13.4919 15.2933 15.2933 16.3719 16.3719 k = 0.5000 0.2887 0.0761 ( 4960 PWs) bands (ev): -36.7807 -36.7807 -36.7291 -36.7291 -10.2122 -10.2122 -10.1360 -10.1360 1.6589 1.6589 2.5744 2.5744 3.5408 3.5408 3.6414 3.6414 4.0744 4.0744 4.2015 4.2015 6.3381 6.3381 7.0149 7.0149 7.2068 7.2068 8.2624 8.2624 8.3817 8.3817 13.5751 13.5751 15.2931 15.2931 16.2932 16.2932 k = 0.5000 0.2887 0.0666 ( 4956 PWs) bands (ev): -36.7807 -36.7807 -36.7291 -36.7291 -10.2125 -10.2125 -10.1354 -10.1354 1.6557 1.6557 2.5847 2.5847 3.5454 3.5454 3.6531 3.6531 4.0594 4.0594 4.1787 4.1787 6.3391 6.3391 7.0150 7.0150 7.2068 7.2068 8.2626 8.2626 8.3874 8.3874 13.6564 13.6564 15.2890 15.2890 16.2188 16.2188 k = 0.5000 0.2887 0.0571 ( 4948 PWs) bands (ev): -36.7807 -36.7807 -36.7291 -36.7291 -10.2128 -10.2128 -10.1348 -10.1348 1.6530 1.6530 2.5935 2.5935 3.5506 3.5506 3.6643 3.6643 4.0454 4.0454 4.1577 4.1577 6.3399 6.3399 7.0150 7.0150 7.2068 7.2068 8.2627 8.2627 8.3925 8.3925 13.7344 13.7344 15.2808 15.2808 16.1507 16.1507 k = 0.5000 0.2887 0.0476 ( 4948 PWs) bands (ev): -36.7807 -36.7807 -36.7291 -36.7291 -10.2130 -10.2130 -10.1344 -10.1344 1.6508 1.6508 2.6009 2.6009 3.5560 3.5560 3.6746 3.6746 4.0326 4.0326 4.1389 4.1389 6.3406 6.3406 7.0151 7.0151 7.2069 7.2069 8.2629 8.2629 8.3969 8.3969 13.8072 13.8072 15.2687 15.2687 16.0908 16.0908 k = 0.5000 0.2887 0.0381 ( 4958 PWs) bands (ev): -36.7807 -36.7807 -36.7291 -36.7291 -10.2132 -10.2132 -10.1340 -10.1340 1.6489 1.6489 2.6068 2.6068 3.5612 3.5612 3.6838 3.6838 4.0213 4.0213 4.1226 4.1226 6.3411 6.3411 7.0151 7.0151 7.2069 7.2069 8.2629 8.2629 8.4005 8.4005 13.8727 13.8727 15.2537 15.2537 16.0406 16.0406 k = 0.5000 0.2887 0.0285 ( 4956 PWs) bands (ev): -36.7807 -36.7807 -36.7291 -36.7291 -10.2134 -10.2134 -10.1337 -10.1337 1.6475 1.6475 2.6115 2.6115 3.5658 3.5658 3.6914 3.6914 4.0120 4.0120 4.1094 4.1094 6.3415 6.3415 7.0151 7.0151 7.2069 7.2069 8.2630 8.2630 8.4034 8.4034 13.9282 13.9282 15.2376 15.2376 16.0011 16.0011 k = 0.5000 0.2887 0.0190 ( 4968 PWs) bands (ev): -36.7807 -36.7807 -36.7291 -36.7291 -10.2135 -10.2135 -10.1335 -10.1335 1.6465 1.6465 2.6147 2.6147 3.5695 3.5695 3.6972 3.6972 4.0050 4.0050 4.0996 4.0996 6.3418 6.3418 7.0151 7.0151 7.2069 7.2069 8.2631 8.2631 8.4055 8.4055 13.9709 13.9709 15.2229 15.2229 15.9729 15.9729 k = 0.5000 0.2887 0.0095 ( 4964 PWs) bands (ev): -36.7807 -36.7807 -36.7291 -36.7291 -10.2136 -10.2136 -10.1334 -10.1334 1.6459 1.6459 2.6167 2.6167 3.5718 3.5718 3.7008 3.7008 4.0006 4.0006 4.0936 4.0936 6.3420 6.3420 7.0151 7.0151 7.2069 7.2069 8.2631 8.2631 8.4067 8.4067 13.9979 13.9979 15.2126 15.2126 15.9561 15.9561 k = 0.5000 0.2887-0.0000 ( 4970 PWs) bands (ev): -36.7807 -36.7807 -36.7291 -36.7291 -10.2136 -10.2136 -10.1333 -10.1333 1.6458 1.6458 2.6173 2.6173 3.5726 3.5726 3.7021 3.7021 3.9991 3.9991 4.0916 4.0916 6.3421 6.3421 7.0151 7.0151 7.2069 7.2069 8.2631 8.2631 8.4072 8.4072 14.0072 14.0072 15.2089 15.2089 15.9505 15.9505 k = 0.3333 0.5774-0.0000 ( 4920 PWs) bands (ev): -36.7523 -36.7523 -36.7523 -36.7523 -10.1245 -10.1245 -10.1220 -10.1220 1.7558 1.7558 2.9012 2.9012 2.9079 2.9079 3.5613 3.5613 3.7872 3.7872 3.7932 3.7932 6.8139 6.8139 7.0929 7.0929 7.2158 7.2158 8.1707 8.1707 8.1864 8.1864 14.2459 14.2459 16.1961 16.1961 17.6097 17.6097 k = 0.3333 0.5774 0.0095 ( 4926 PWs) bands (ev): -36.7523 -36.7523 -36.7523 -36.7523 -10.1245 -10.1245 -10.1220 -10.1220 1.7567 1.7567 2.9008 2.9008 2.9075 2.9075 3.5600 3.5600 3.7878 3.7878 3.7938 3.7938 6.8139 6.8139 7.0927 7.0927 7.2156 7.2156 8.1711 8.1711 8.1869 8.1869 14.2463 14.2463 16.1964 16.1964 17.5969 17.5969 k = 0.3333 0.5774 0.0190 ( 4935 PWs) bands (ev): -36.7523 -36.7523 -36.7523 -36.7523 -10.1245 -10.1245 -10.1221 -10.1221 1.7592 1.7592 2.8997 2.8997 2.9063 2.9063 3.5561 3.5561 3.7897 3.7897 3.7957 3.7957 6.8140 6.8140 7.0921 7.0921 7.2150 7.2150 8.1723 8.1723 8.1881 8.1881 14.2472 14.2472 16.1973 16.1973 17.5605 17.5605 k = 0.3333 0.5774 0.0285 ( 4935 PWs) bands (ev): -36.7523 -36.7523 -36.7523 -36.7523 -10.1246 -10.1246 -10.1221 -10.1221 1.7633 1.7633 2.8978 2.8978 2.9044 2.9044 3.5497 3.5497 3.7927 3.7927 3.7987 3.7987 6.8141 6.8141 7.0911 7.0911 7.2141 7.2141 8.1744 8.1744 8.1901 8.1901 14.2488 14.2488 16.1989 16.1989 17.5054 17.5054 k = 0.3333 0.5774 0.0381 ( 4929 PWs) bands (ev): -36.7523 -36.7523 -36.7523 -36.7523 -10.1247 -10.1247 -10.1222 -10.1222 1.7691 1.7691 2.8952 2.8952 2.9017 2.9017 3.5407 3.5407 3.7970 3.7970 3.8029 3.8029 6.8143 6.8143 7.0897 7.0897 7.2128 7.2128 8.1771 8.1771 8.1930 8.1930 14.2509 14.2509 16.2010 16.2010 17.4370 17.4370 k = 0.3333 0.5774 0.0476 ( 4941 PWs) bands (ev): -36.7523 -36.7523 -36.7523 -36.7523 -10.1248 -10.1248 -10.1223 -10.1223 1.7766 1.7766 2.8919 2.8919 2.8984 2.8984 3.5293 3.5293 3.8024 3.8024 3.8082 3.8082 6.8145 6.8145 7.0880 7.0880 7.2112 7.2112 8.1807 8.1807 8.1966 8.1966 14.2536 14.2536 16.2038 16.2038 17.3595 17.3595 k = 0.3333 0.5774 0.0571 ( 4935 PWs) bands (ev): -36.7523 -36.7523 -36.7523 -36.7523 -10.1249 -10.1249 -10.1224 -10.1224 1.7857 1.7857 2.8880 2.8880 2.8945 2.8945 3.5155 3.5155 3.8088 3.8088 3.8145 3.8145 6.8148 6.8148 7.0859 7.0859 7.2093 7.2093 8.1849 8.1849 8.2009 8.2009 14.2568 14.2568 16.2071 16.2071 17.2764 17.2764 k = 0.3333 0.5774 0.0666 ( 4935 PWs) bands (ev): -36.7523 -36.7523 -36.7523 -36.7523 -10.1250 -10.1250 -10.1225 -10.1225 1.7964 1.7964 2.8835 2.8835 2.8900 2.8900 3.4992 3.4992 3.8161 3.8161 3.8217 3.8217 6.8151 6.8151 7.0835 7.0835 7.2071 7.2071 8.1898 8.1898 8.2059 8.2059 14.2604 14.2604 16.2109 16.2109 17.1898 17.1898 k = 0.3333 0.5774 0.0761 ( 4950 PWs) bands (ev): -36.7523 -36.7523 -36.7523 -36.7523 -10.1251 -10.1251 -10.1227 -10.1227 1.8087 1.8087 2.8786 2.8786 2.8850 2.8850 3.4807 3.4807 3.8243 3.8243 3.8298 3.8298 6.8154 6.8154 7.0808 7.0808 7.2046 7.2046 8.1954 8.1954 8.2116 8.2116 14.2644 14.2644 16.2153 16.2153 17.1014 17.1014 k = 0.3333 0.5774 0.0856 ( 4944 PWs) bands (ev): -36.7523 -36.7523 -36.7523 -36.7523 -10.1253 -10.1253 -10.1228 -10.1228 1.8225 1.8225 2.8732 2.8732 2.8795 2.8795 3.4601 3.4601 3.8333 3.8333 3.8386 3.8386 6.8158 6.8158 7.0779 7.0779 7.2018 7.2018 8.2015 8.2015 8.2179 8.2179 14.2687 14.2687 16.2201 16.2201 17.0123 17.0123 k = 0.3333 0.5774 0.0951 ( 4959 PWs) bands (ev): -36.7523 -36.7523 -36.7523 -36.7523 -10.1255 -10.1255 -10.1230 -10.1230 1.8379 1.8379 2.8675 2.8675 2.8737 2.8737 3.4373 3.4373 3.8429 3.8429 3.8481 3.8481 6.8162 6.8162 7.0747 7.0747 7.1989 7.1989 8.2081 8.2081 8.2247 8.2247 14.2733 14.2733 16.2253 16.2253 16.9234 16.9234 k = 0.3333 0.5774 0.1046 ( 4953 PWs) bands (ev): -36.7523 -36.7523 -36.7523 -36.7523 -10.1257 -10.1257 -10.1232 -10.1232 1.8549 1.8549 2.8615 2.8615 2.8677 2.8677 3.4125 3.4125 3.8531 3.8531 3.8581 3.8581 6.8166 6.8166 7.0713 7.0713 7.1957 7.1957 8.2152 8.2152 8.2319 8.2319 14.2781 14.2781 16.2309 16.2309 16.8354 16.8354 k = 0.3333 0.5774 0.1142 ( 4947 PWs) bands (ev): -36.7523 -36.7523 -36.7523 -36.7523 -10.1259 -10.1259 -10.1234 -10.1234 1.8732 1.8732 2.8553 2.8553 2.8614 2.8614 3.3859 3.3859 3.8637 3.8637 3.8686 3.8686 6.8171 6.8171 7.0677 7.0677 7.1924 7.1924 8.2227 8.2227 8.2396 8.2396 14.2830 14.2830 16.2368 16.2368 16.7489 16.7489 k = 0.3333 0.5774 0.1237 ( 4956 PWs) bands (ev): -36.7523 -36.7523 -36.7523 -36.7523 -10.1261 -10.1261 -10.1236 -10.1236 1.8930 1.8930 2.8490 2.8490 2.8551 2.8551 3.3575 3.3575 3.8746 3.8746 3.8793 3.8793 6.8176 6.8176 7.0640 7.0640 7.1890 7.1890 8.2305 8.2305 8.2476 8.2476 14.2879 14.2879 16.2430 16.2430 16.6642 16.6642 k = 0.3333 0.5774 0.1332 ( 4950 PWs) bands (ev): -36.7523 -36.7523 -36.7523 -36.7523 -10.1263 -10.1263 -10.1238 -10.1238 1.9142 1.9142 2.8426 2.8426 2.8486 2.8486 3.3275 3.3275 3.8857 3.8857 3.8903 3.8903 6.8180 6.8180 7.0602 7.0602 7.1855 7.1855 8.2386 8.2386 8.2559 8.2559 14.2929 14.2929 16.2494 16.2494 16.5819 16.5819 k = 0.3333 0.5774 0.1427 ( 4950 PWs) bands (ev): -36.7523 -36.7523 -36.7523 -36.7523 -10.1265 -10.1265 -10.1240 -10.1240 1.9368 1.9368 2.8362 2.8362 2.8422 2.8422 3.2961 3.2961 3.8969 3.8969 3.9013 3.9013 6.8185 6.8185 7.0564 7.0564 7.1820 7.1820 8.2469 8.2469 8.2643 8.2643 14.2977 14.2977 16.2559 16.2559 16.5022 16.5022 k = 0.3333 0.5774 0.1522 ( 4950 PWs) bands (ev): -36.7523 -36.7523 -36.7523 -36.7523 -10.1267 -10.1267 -10.1242 -10.1242 1.9606 1.9606 2.8299 2.8299 2.8358 2.8358 3.2633 3.2633 3.9082 3.9082 3.9124 3.9124 6.8190 6.8190 7.0525 7.0525 7.1784 7.1784 8.2552 8.2552 8.2729 8.2729 14.3025 14.3025 16.2625 16.2625 16.4255 16.4255 k = 0.3333 0.5774 0.1617 ( 4950 PWs) bands (ev): -36.7523 -36.7523 -36.7523 -36.7523 -10.1269 -10.1269 -10.1244 -10.1244 1.9855 1.9855 2.8237 2.8237 2.8295 2.8295 3.2294 3.2294 3.9193 3.9193 3.9233 3.9233 6.8195 6.8195 7.0487 7.0487 7.1749 7.1749 8.2636 8.2636 8.2814 8.2814 14.3071 14.3071 16.2690 16.2690 16.3520 16.3520 k = 0.3333 0.5774 0.1712 ( 4950 PWs) bands (ev): -36.7523 -36.7523 -36.7523 -36.7523 -10.1271 -10.1271 -10.1246 -10.1246 2.0116 2.0116 2.8176 2.8176 2.8235 2.8235 3.1945 3.1945 3.9301 3.9301 3.9341 3.9341 6.8200 6.8200 7.0449 7.0449 7.1714 7.1714 8.2719 8.2719 8.2899 8.2899 14.3115 14.3115 16.2746 16.2746 16.2830 16.2830 k = 0.3333 0.5774 0.1807 ( 4938 PWs) bands (ev): -36.7523 -36.7523 -36.7523 -36.7523 -10.1274 -10.1274 -10.1249 -10.1249 2.0387 2.0387 2.8118 2.8118 2.8176 2.8176 3.1588 3.1588 3.9407 3.9407 3.9445 3.9445 6.8205 6.8205 7.0412 7.0412 7.1680 7.1680 8.2801 8.2801 8.2983 8.2983 14.3157 14.3157 16.2156 16.2156 16.2462 16.2462 k = 0.3333 0.5774 0.1903 ( 4938 PWs) bands (ev): -36.7523 -36.7523 -36.7523 -36.7523 -10.1276 -10.1276 -10.1251 -10.1251 2.0667 2.0667 2.8062 2.8062 2.8120 2.8120 3.1224 3.1224 3.9509 3.9509 3.9545 3.9545 6.8209 6.8209 7.0376 7.0376 7.1647 7.1647 8.2880 8.2880 8.3064 8.3064 14.3197 14.3197 16.1534 16.1534 16.1839 16.1839 k = 0.3333 0.5774 0.1998 ( 4944 PWs) bands (ev): -36.7523 -36.7523 -36.7523 -36.7523 -10.1278 -10.1278 -10.1253 -10.1253 2.0954 2.0954 2.8010 2.8010 2.8067 2.8067 3.0857 3.0857 3.9606 3.9606 3.9641 3.9641 6.8213 6.8213 7.0341 7.0341 7.1616 7.1616 8.2956 8.2956 8.3143 8.3143 14.3233 14.3233 16.0954 16.0954 16.1258 16.1258 k = 0.3333 0.5774 0.2093 ( 4953 PWs) bands (ev): -36.7523 -36.7523 -36.7523 -36.7523 -10.1279 -10.1279 -10.1254 -10.1254 2.1247 2.1247 2.7961 2.7961 2.8018 2.8018 3.0489 3.0489 3.9697 3.9697 3.9731 3.9731 6.8218 6.8218 7.0309 7.0309 7.1586 7.1586 8.3029 8.3029 8.3217 8.3217 14.3267 14.3267 16.0417 16.0417 16.0720 16.0720 k = 0.3333 0.5774 0.2188 ( 4953 PWs) bands (ev): -36.7523 -36.7523 -36.7523 -36.7523 -10.1281 -10.1281 -10.1256 -10.1256 2.1544 2.1544 2.7915 2.7915 2.7973 2.7973 3.0122 3.0122 3.9782 3.9782 3.9815 3.9815 6.8221 6.8221 7.0279 7.0279 7.1558 7.1558 8.3098 8.3098 8.3288 8.3288 14.3297 14.3297 15.9926 15.9926 16.0229 16.0229 k = 0.3333 0.5774 0.2283 ( 4947 PWs) bands (ev): -36.7523 -36.7523 -36.7523 -36.7523 -10.1283 -10.1283 -10.1258 -10.1258 2.1842 2.1842 2.7873 2.7873 2.7931 2.7931 2.9760 2.9760 3.9860 3.9860 3.9892 3.9892 6.8225 6.8225 7.0251 7.0251 7.1533 7.1533 8.3161 8.3161 8.3352 8.3352 14.3324 14.3324 15.9482 15.9482 15.9784 15.9784 k = 0.3333 0.5774 0.2378 ( 4941 PWs) bands (ev): -36.7523 -36.7523 -36.7523 -36.7523 -10.1284 -10.1284 -10.1259 -10.1259 2.2136 2.2136 2.7836 2.7836 2.7894 2.7894 2.9407 2.9407 3.9930 3.9930 3.9961 3.9961 6.8228 6.8228 7.0225 7.0225 7.1510 7.1510 8.3218 8.3218 8.3411 8.3411 14.3349 14.3349 15.9086 15.9086 15.9388 15.9388 k = 0.3333 0.5774 0.2473 ( 4929 PWs) bands (ev): -36.7522 -36.7522 -36.7522 -36.7522 -10.1285 -10.1285 -10.1260 -10.1260 2.2423 2.2423 2.7803 2.7803 2.7861 2.7861 2.9069 2.9069 3.9992 3.9992 4.0022 4.0022 6.8231 6.8231 7.0203 7.0203 7.1490 7.1490 8.3269 8.3269 8.3464 8.3464 14.3369 14.3369 15.8741 15.8741 15.9043 15.9043 k = 0.3333 0.5774 0.2568 ( 4929 PWs) bands (ev): -36.7522 -36.7522 -36.7522 -36.7522 -10.1287 -10.1287 -10.1262 -10.1262 2.2696 2.2696 2.7774 2.7774 2.7833 2.7833 2.8752 2.8752 4.0046 4.0046 4.0074 4.0074 6.8233 6.8233 7.0184 7.0184 7.1472 7.1472 8.3313 8.3313 8.3509 8.3509 14.3387 14.3387 15.8447 15.8447 15.8748 15.8748 k = 0.3333 0.5774 0.2664 ( 4941 PWs) bands (ev): -36.7523 -36.7523 -36.7523 -36.7523 -10.1288 -10.1288 -10.1262 -10.1262 2.2947 2.2947 2.7749 2.7749 2.7810 2.7810 2.8466 2.8466 4.0090 4.0090 4.0118 4.0118 6.8235 6.8235 7.0168 7.0168 7.1458 7.1458 8.3350 8.3350 8.3546 8.3546 14.3402 14.3402 15.8205 15.8205 15.8506 15.8506 k = 0.3333 0.5774 0.2759 ( 4944 PWs) bands (ev): -36.7523 -36.7523 -36.7523 -36.7523 -10.1288 -10.1288 -10.1263 -10.1263 2.3164 2.3164 2.7728 2.7728 2.7792 2.7792 2.8223 2.8223 4.0125 4.0125 4.0152 4.0152 6.8237 6.8237 7.0155 7.0155 7.1446 7.1446 8.3379 8.3379 8.3576 8.3576 14.3413 14.3413 15.8015 15.8015 15.8316 15.8316 k = 0.3333 0.5774 0.2854 ( 4944 PWs) bands (ev): -36.7523 -36.7523 -36.7523 -36.7523 -10.1289 -10.1289 -10.1264 -10.1264 2.3335 2.3335 2.7709 2.7709 2.7779 2.7779 2.8037 2.8037 4.0150 4.0150 4.0177 4.0177 6.8238 6.8238 7.0146 7.0146 7.1438 7.1438 8.3400 8.3400 8.3598 8.3598 14.3421 14.3421 15.7880 15.7880 15.8181 15.8181 k = 0.3333 0.5774 0.2949 ( 4932 PWs) bands (ev): -36.7522 -36.7522 -36.7522 -36.7522 -10.1289 -10.1289 -10.1264 -10.1264 2.3445 2.3445 2.7693 2.7693 2.7771 2.7771 2.7923 2.7923 4.0165 4.0165 4.0192 4.0192 6.8239 6.8239 7.0141 7.0141 7.1433 7.1433 8.3413 8.3413 8.3611 8.3611 14.3426 14.3426 15.7798 15.7798 15.8099 15.8099 k = 0.3333 0.5774 0.3044 ( 4932 PWs) bands (ev): -36.7522 -36.7522 -36.7522 -36.7522 -10.1289 -10.1289 -10.1264 -10.1264 2.3484 2.3484 2.7685 2.7685 2.7769 2.7769 2.7885 2.7885 4.0170 4.0170 4.0197 4.0197 6.8239 6.8239 7.0139 7.0139 7.1432 7.1432 8.3417 8.3417 8.3615 8.3615 14.3427 14.3427 15.7771 15.7771 15.8072 15.8072 Writing output data file Li2NiO2.save init_run : 0.16s CPU 0.30s WALL ( 1 calls) electrons : 108.62s CPU 110.71s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 108.62s CPU 110.70s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.06s WALL ( 427 calls) cegterg : 96.76s CPU 98.17s WALL ( 459 calls) Called by sum_band: Called by *egterg: h_psi : 60.20s CPU 61.10s WALL ( 7604 calls) s_psi : 2.06s CPU 2.23s WALL ( 7604 calls) g_psi : 0.20s CPU 0.23s WALL ( 6718 calls) cdiaghg : 33.00s CPU 33.36s WALL ( 7145 calls) cegterg:over : 3.98s CPU 4.05s WALL ( 6718 calls) cegterg:upda : 3.30s CPU 3.41s WALL ( 6718 calls) cegterg:last : 2.01s CPU 1.94s WALL ( 1313 calls) cdiaghg:chol : 1.71s CPU 1.82s WALL ( 7145 calls) cdiaghg:inve : 0.88s CPU 0.96s WALL ( 7145 calls) cdiaghg:para : 1.90s CPU 1.86s WALL ( 14290 calls) Called by h_psi: h_psi:vloc : 54.10s CPU 55.10s WALL ( 7604 calls) h_psi:vnl : 5.85s CPU 5.81s WALL ( 7604 calls) add_vuspsi : 2.72s CPU 2.73s WALL ( 7604 calls) General routines calbec : 3.11s CPU 3.06s WALL ( 7604 calls) fft : 0.00s CPU 0.00s WALL ( 15 calls) fftw : 51.29s CPU 52.17s WALL ( 654964 calls) davcio : 0.15s CPU 0.24s WALL ( 854 calls) Parallel routines fft_scatter : 18.60s CPU 18.93s WALL ( 654979 calls) PWSCF : 2m 4.42s CPU 2m23.48s WALL This run was terminated on: 20:18:42 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=