Program PWSCF v.5.1.1 starts on 19Jul2015 at 4:35:32 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./AlN.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 15 8 2 551 216 34 Max 16 9 3 564 231 45 Sum 745 421 121 26729 10815 1871 bravais-lattice index = 14 lattice parameter (alat) = 5.8241 a.u. unit-cell volume = 274.5103 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 16.00 number of Kohn-Sham states= 24 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.824135 celldm(2)= 1.000000 celldm(3)= 1.604478 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 1.604478 ) 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 0.623256 ) PseudoPot. # 1 for Al read from file: /home/autes/Pseudo/Al.rel-pbe-nl-rrkjus_psl.1.0.0.UPF MD5 check sum: d18dd1d035d87b93e5ebab176be81bd5 Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 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 N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Al 3.00 26.98150 Al( 1.00) N 5.00 14.00670 N( 1.00) 12 Sym. Ops. (no inversion) found ( 6 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8022388 ) isym = 3 60 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 3) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8022388 ) isym = 4 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 4) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8022388 ) isym = 5 120 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 7) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8022388 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 9) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8022388 ) isym = 10 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8022388 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_6v (6mm) there are 9 classes and 3 irreducible representations the character table: E -E C2 2C3 -2C3 2C6 -2C6 3s_v 3s_d -C2 -3s_v -3s_d G_7 2.00 -2.00 0.00 1.00 -1.00 1.73 -1.73 0.00 0.00 G_8 2.00 -2.00 0.00 1.00 -1.00 -1.73 1.73 0.00 0.00 G_9 2.00 -2.00 0.00 -2.00 2.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C6 3 4 2C3 5 6 3s_v-3s_v 7 -7 9 10 -10 -9 3s_d-3s_d 8 -8 12 -11 11 -12 -E -1 -2C6 -3 -4 -2C3 -5 -6 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 0.0097384), wk = 0.0023419 k( 167) = ( 0.0000000 0.0000000 0.0194767), wk = 0.0023419 k( 168) = ( 0.0000000 0.0000000 0.0292151), wk = 0.0023419 k( 169) = ( 0.0000000 0.0000000 0.0389535), wk = 0.0023419 k( 170) = ( 0.0000000 0.0000000 0.0486919), wk = 0.0023419 k( 171) = ( 0.0000000 0.0000000 0.0584302), wk = 0.0023419 k( 172) = ( 0.0000000 0.0000000 0.0681686), wk = 0.0023419 k( 173) = ( 0.0000000 0.0000000 0.0779070), wk = 0.0023419 k( 174) = ( 0.0000000 0.0000000 0.0876453), wk = 0.0023419 k( 175) = ( 0.0000000 0.0000000 0.0973837), wk = 0.0023419 k( 176) = ( 0.0000000 0.0000000 0.1071221), wk = 0.0023419 k( 177) = ( 0.0000000 0.0000000 0.1168605), wk = 0.0023419 k( 178) = ( 0.0000000 0.0000000 0.1265988), wk = 0.0023419 k( 179) = ( 0.0000000 0.0000000 0.1363372), wk = 0.0023419 k( 180) = ( 0.0000000 0.0000000 0.1460756), wk = 0.0023419 k( 181) = ( 0.0000000 0.0000000 0.1558140), wk = 0.0023419 k( 182) = ( 0.0000000 0.0000000 0.1655523), wk = 0.0023419 k( 183) = ( 0.0000000 0.0000000 0.1752907), wk = 0.0023419 k( 184) = ( 0.0000000 0.0000000 0.1850291), wk = 0.0023419 k( 185) = ( 0.0000000 0.0000000 0.1947674), wk = 0.0023419 k( 186) = ( 0.0000000 0.0000000 0.2045058), wk = 0.0023419 k( 187) = ( 0.0000000 0.0000000 0.2142442), wk = 0.0023419 k( 188) = ( 0.0000000 0.0000000 0.2239826), wk = 0.0023419 k( 189) = ( 0.0000000 0.0000000 0.2337209), wk = 0.0023419 k( 190) = ( 0.0000000 0.0000000 0.2434593), wk = 0.0023419 k( 191) = ( 0.0000000 0.0000000 0.2531977), wk = 0.0023419 k( 192) = ( 0.0000000 0.0000000 0.2629360), wk = 0.0023419 k( 193) = ( 0.0000000 0.0000000 0.2726744), wk = 0.0023419 k( 194) = ( 0.0000000 0.0000000 0.2824128), wk = 0.0023419 k( 195) = ( 0.0000000 0.0000000 0.2921512), wk = 0.0023419 k( 196) = ( 0.0000000 0.0000000 0.3018895), wk = 0.0023419 k( 197) = ( 0.0000000 0.0000000 0.3116279), wk = 0.0023419 k( 198) = ( 0.0000000 0.0000000 0.3116279), wk = 0.0023419 k( 199) = ( 0.0084746 0.0048928 0.3116279), wk = 0.0023419 k( 200) = ( 0.0169491 0.0097856 0.3116279), wk = 0.0023419 k( 201) = ( 0.0254237 0.0146784 0.3116279), wk = 0.0023419 k( 202) = ( 0.0338983 0.0195712 0.3116279), wk = 0.0023419 k( 203) = ( 0.0423729 0.0244640 0.3116279), wk = 0.0023419 k( 204) = ( 0.0508475 0.0293568 0.3116279), wk = 0.0023419 k( 205) = ( 0.0593220 0.0342496 0.3116279), wk = 0.0023419 k( 206) = ( 0.0677966 0.0391424 0.3116279), wk = 0.0023419 k( 207) = ( 0.0762712 0.0440352 0.3116279), wk = 0.0023419 k( 208) = ( 0.0847458 0.0489280 0.3116279), wk = 0.0023419 k( 209) = ( 0.0932203 0.0538208 0.3116279), wk = 0.0023419 k( 210) = ( 0.1016949 0.0587136 0.3116279), wk = 0.0023419 k( 211) = ( 0.1101695 0.0636064 0.3116279), wk = 0.0023419 k( 212) = ( 0.1186441 0.0684992 0.3116279), wk = 0.0023419 k( 213) = ( 0.1271186 0.0733920 0.3116279), wk = 0.0023419 k( 214) = ( 0.1355932 0.0782848 0.3116279), wk = 0.0023419 k( 215) = ( 0.1440678 0.0831776 0.3116279), wk = 0.0023419 k( 216) = ( 0.1525424 0.0880704 0.3116279), wk = 0.0023419 k( 217) = ( 0.1610169 0.0929632 0.3116279), wk = 0.0023419 k( 218) = ( 0.1694915 0.0978560 0.3116279), wk = 0.0023419 k( 219) = ( 0.1779661 0.1027488 0.3116279), wk = 0.0023419 k( 220) = ( 0.1864407 0.1076416 0.3116279), wk = 0.0023419 k( 221) = ( 0.1949153 0.1125344 0.3116279), wk = 0.0023419 k( 222) = ( 0.2033898 0.1174272 0.3116279), wk = 0.0023419 k( 223) = ( 0.2118644 0.1223200 0.3116279), wk = 0.0023419 k( 224) = ( 0.2203390 0.1272128 0.3116279), wk = 0.0023419 k( 225) = ( 0.2288136 0.1321056 0.3116279), wk = 0.0023419 k( 226) = ( 0.2372881 0.1369984 0.3116279), wk = 0.0023419 k( 227) = ( 0.2457627 0.1418912 0.3116279), wk = 0.0023419 k( 228) = ( 0.2542373 0.1467840 0.3116279), wk = 0.0023419 k( 229) = ( 0.2627119 0.1516768 0.3116279), wk = 0.0023419 k( 230) = ( 0.2711864 0.1565696 0.3116279), wk = 0.0023419 k( 231) = ( 0.2796610 0.1614624 0.3116279), wk = 0.0023419 k( 232) = ( 0.2881356 0.1663552 0.3116279), wk = 0.0023419 k( 233) = ( 0.2966102 0.1712480 0.3116279), wk = 0.0023419 k( 234) = ( 0.3050848 0.1761408 0.3116279), wk = 0.0023419 k( 235) = ( 0.3135593 0.1810336 0.3116279), wk = 0.0023419 k( 236) = ( 0.3220339 0.1859264 0.3116279), wk = 0.0023419 k( 237) = ( 0.3305085 0.1908192 0.3116279), wk = 0.0023419 k( 238) = ( 0.3389831 0.1957120 0.3116279), wk = 0.0023419 k( 239) = ( 0.3474576 0.2006048 0.3116279), wk = 0.0023419 k( 240) = ( 0.3559322 0.2054976 0.3116279), wk = 0.0023419 k( 241) = ( 0.3644068 0.2103904 0.3116279), wk = 0.0023419 k( 242) = ( 0.3728814 0.2152832 0.3116279), wk = 0.0023419 k( 243) = ( 0.3813559 0.2201759 0.3116279), wk = 0.0023419 k( 244) = ( 0.3898305 0.2250687 0.3116279), wk = 0.0023419 k( 245) = ( 0.3983051 0.2299615 0.3116279), wk = 0.0023419 k( 246) = ( 0.4067797 0.2348543 0.3116279), wk = 0.0023419 k( 247) = ( 0.4152542 0.2397471 0.3116279), wk = 0.0023419 k( 248) = ( 0.4237288 0.2446399 0.3116279), wk = 0.0023419 k( 249) = ( 0.4322034 0.2495327 0.3116279), wk = 0.0023419 k( 250) = ( 0.4406780 0.2544255 0.3116279), wk = 0.0023419 k( 251) = ( 0.4491525 0.2593183 0.3116279), wk = 0.0023419 k( 252) = ( 0.4576271 0.2642111 0.3116279), wk = 0.0023419 k( 253) = ( 0.4661017 0.2691039 0.3116279), wk = 0.0023419 k( 254) = ( 0.4745763 0.2739967 0.3116279), wk = 0.0023419 k( 255) = ( 0.4830508 0.2788895 0.3116279), wk = 0.0023419 k( 256) = ( 0.4915254 0.2837823 0.3116279), wk = 0.0023419 k( 257) = ( 0.5000000 0.2886751 0.3116279), wk = 0.0023419 k( 258) = ( 0.5000000 0.2886751 0.3116279), wk = 0.0023419 k( 259) = ( 0.4950980 0.2971656 0.3116279), wk = 0.0023419 k( 260) = ( 0.4901961 0.3056560 0.3116279), wk = 0.0023419 k( 261) = ( 0.4852941 0.3141465 0.3116279), wk = 0.0023419 k( 262) = ( 0.4803922 0.3226369 0.3116279), wk = 0.0023419 k( 263) = ( 0.4754902 0.3311274 0.3116279), wk = 0.0023419 k( 264) = ( 0.4705882 0.3396178 0.3116279), wk = 0.0023419 k( 265) = ( 0.4656863 0.3481082 0.3116279), wk = 0.0023419 k( 266) = ( 0.4607843 0.3565987 0.3116279), wk = 0.0023419 k( 267) = ( 0.4558823 0.3650891 0.3116279), wk = 0.0023419 k( 268) = ( 0.4509804 0.3735796 0.3116279), wk = 0.0023419 k( 269) = ( 0.4460784 0.3820700 0.3116279), wk = 0.0023419 k( 270) = ( 0.4411765 0.3905605 0.3116279), wk = 0.0023419 k( 271) = ( 0.4362745 0.3990509 0.3116279), wk = 0.0023419 k( 272) = ( 0.4313726 0.4075414 0.3116279), wk = 0.0023419 k( 273) = ( 0.4264706 0.4160318 0.3116279), wk = 0.0023419 k( 274) = ( 0.4215686 0.4245223 0.3116279), wk = 0.0023419 k( 275) = ( 0.4166667 0.4330127 0.3116279), wk = 0.0023419 k( 276) = ( 0.4117647 0.4415032 0.3116279), wk = 0.0023419 k( 277) = ( 0.4068627 0.4499936 0.3116279), wk = 0.0023419 k( 278) = ( 0.4019608 0.4584840 0.3116279), wk = 0.0023419 k( 279) = ( 0.3970588 0.4669745 0.3116279), wk = 0.0023419 k( 280) = ( 0.3921569 0.4754649 0.3116279), wk = 0.0023419 k( 281) = ( 0.3872549 0.4839554 0.3116279), wk = 0.0023419 k( 282) = ( 0.3823529 0.4924458 0.3116279), wk = 0.0023419 k( 283) = ( 0.3774510 0.5009363 0.3116279), wk = 0.0023419 k( 284) = ( 0.3725490 0.5094267 0.3116279), wk = 0.0023419 k( 285) = ( 0.3676471 0.5179172 0.3116279), wk = 0.0023419 k( 286) = ( 0.3627451 0.5264076 0.3116279), wk = 0.0023419 k( 287) = ( 0.3578431 0.5348981 0.3116279), wk = 0.0023419 k( 288) = ( 0.3529412 0.5433885 0.3116279), wk = 0.0023419 k( 289) = ( 0.3480392 0.5518789 0.3116279), wk = 0.0023419 k( 290) = ( 0.3431373 0.5603694 0.3116279), wk = 0.0023419 k( 291) = ( 0.3382353 0.5688598 0.3116279), wk = 0.0023419 k( 292) = ( 0.3333333 0.5773503 0.3116279), wk = 0.0023419 k( 293) = ( 0.3333333 0.5773503 0.3116279), wk = 0.0023419 k( 294) = ( 0.3284314 0.5688598 0.3116279), wk = 0.0023419 k( 295) = ( 0.3235294 0.5603694 0.3116279), wk = 0.0023419 k( 296) = ( 0.3186274 0.5518789 0.3116279), wk = 0.0023419 k( 297) = ( 0.3137255 0.5433885 0.3116279), wk = 0.0023419 k( 298) = ( 0.3088235 0.5348980 0.3116279), wk = 0.0023419 k( 299) = ( 0.3039216 0.5264076 0.3116279), wk = 0.0023419 k( 300) = ( 0.2990196 0.5179172 0.3116279), wk = 0.0023419 k( 301) = ( 0.2941177 0.5094267 0.3116279), wk = 0.0023419 k( 302) = ( 0.2892157 0.5009363 0.3116279), wk = 0.0023419 k( 303) = ( 0.2843137 0.4924458 0.3116279), wk = 0.0023419 k( 304) = ( 0.2794118 0.4839554 0.3116279), wk = 0.0023419 k( 305) = ( 0.2745098 0.4754649 0.3116279), wk = 0.0023419 k( 306) = ( 0.2696078 0.4669745 0.3116279), wk = 0.0023419 k( 307) = ( 0.2647059 0.4584840 0.3116279), wk = 0.0023419 k( 308) = ( 0.2598039 0.4499936 0.3116279), wk = 0.0023419 k( 309) = ( 0.2549020 0.4415031 0.3116279), wk = 0.0023419 k( 310) = ( 0.2500000 0.4330127 0.3116279), wk = 0.0023419 k( 311) = ( 0.2450980 0.4245223 0.3116279), wk = 0.0023419 k( 312) = ( 0.2401961 0.4160318 0.3116279), wk = 0.0023419 k( 313) = ( 0.2352941 0.4075414 0.3116279), wk = 0.0023419 k( 314) = ( 0.2303922 0.3990509 0.3116279), wk = 0.0023419 k( 315) = ( 0.2254902 0.3905605 0.3116279), wk = 0.0023419 k( 316) = ( 0.2205882 0.3820700 0.3116279), wk = 0.0023419 k( 317) = ( 0.2156863 0.3735796 0.3116279), wk = 0.0023419 k( 318) = ( 0.2107843 0.3650891 0.3116279), wk = 0.0023419 k( 319) = ( 0.2058823 0.3565987 0.3116279), wk = 0.0023419 k( 320) = ( 0.2009804 0.3481082 0.3116279), wk = 0.0023419 k( 321) = ( 0.1960784 0.3396178 0.3116279), wk = 0.0023419 k( 322) = ( 0.1911765 0.3311274 0.3116279), wk = 0.0023419 k( 323) = ( 0.1862745 0.3226369 0.3116279), wk = 0.0023419 k( 324) = ( 0.1813725 0.3141465 0.3116279), wk = 0.0023419 k( 325) = ( 0.1764706 0.3056560 0.3116279), wk = 0.0023419 k( 326) = ( 0.1715686 0.2971656 0.3116279), wk = 0.0023419 k( 327) = ( 0.1666667 0.2886751 0.3116279), wk = 0.0023419 k( 328) = ( 0.1617647 0.2801847 0.3116279), wk = 0.0023419 k( 329) = ( 0.1568627 0.2716943 0.3116279), wk = 0.0023419 k( 330) = ( 0.1519608 0.2632038 0.3116279), wk = 0.0023419 k( 331) = ( 0.1470588 0.2547133 0.3116279), wk = 0.0023419 k( 332) = ( 0.1421569 0.2462229 0.3116279), wk = 0.0023419 k( 333) = ( 0.1372549 0.2377325 0.3116279), wk = 0.0023419 k( 334) = ( 0.1323529 0.2292420 0.3116279), wk = 0.0023419 k( 335) = ( 0.1274510 0.2207516 0.3116279), wk = 0.0023419 k( 336) = ( 0.1225490 0.2122611 0.3116279), wk = 0.0023419 k( 337) = ( 0.1176471 0.2037707 0.3116279), wk = 0.0023419 k( 338) = ( 0.1127451 0.1952802 0.3116279), wk = 0.0023419 k( 339) = ( 0.1078431 0.1867898 0.3116279), wk = 0.0023419 k( 340) = ( 0.1029412 0.1782994 0.3116279), wk = 0.0023419 k( 341) = ( 0.0980392 0.1698089 0.3116279), wk = 0.0023419 k( 342) = ( 0.0931373 0.1613184 0.3116279), wk = 0.0023419 k( 343) = ( 0.0882353 0.1528280 0.3116279), wk = 0.0023419 k( 344) = ( 0.0833333 0.1443376 0.3116279), wk = 0.0023419 k( 345) = ( 0.0784314 0.1358471 0.3116279), wk = 0.0023419 k( 346) = ( 0.0735294 0.1273567 0.3116279), wk = 0.0023419 k( 347) = ( 0.0686275 0.1188662 0.3116279), wk = 0.0023419 k( 348) = ( 0.0637255 0.1103758 0.3116279), wk = 0.0023419 k( 349) = ( 0.0588235 0.1018853 0.3116279), wk = 0.0023419 k( 350) = ( 0.0539216 0.0933949 0.3116279), wk = 0.0023419 k( 351) = ( 0.0490196 0.0849045 0.3116279), wk = 0.0023419 k( 352) = ( 0.0441177 0.0764140 0.3116279), wk = 0.0023419 k( 353) = ( 0.0392157 0.0679236 0.3116279), wk = 0.0023419 k( 354) = ( 0.0343137 0.0594331 0.3116279), wk = 0.0023419 k( 355) = ( 0.0294118 0.0509427 0.3116279), wk = 0.0023419 k( 356) = ( 0.0245098 0.0424522 0.3116279), wk = 0.0023419 k( 357) = ( 0.0196078 0.0339618 0.3116279), wk = 0.0023419 k( 358) = ( 0.0147059 0.0254713 0.3116279), wk = 0.0023419 k( 359) = ( 0.0098039 0.0169809 0.3116279), wk = 0.0023419 k( 360) = ( 0.0049020 0.0084904 0.3116279), wk = 0.0023419 k( 361) = ( 0.0000000 0.0000000 0.3116279), wk = 0.0023419 k( 362) = ( 0.5000000 0.2886751 0.3116279), wk = 0.0023419 k( 363) = ( 0.5000000 0.2886751 0.3018895), wk = 0.0023419 k( 364) = ( 0.5000000 0.2886751 0.2921512), wk = 0.0023419 k( 365) = ( 0.5000000 0.2886751 0.2824128), wk = 0.0023419 k( 366) = ( 0.5000000 0.2886751 0.2726744), wk = 0.0023419 k( 367) = ( 0.5000000 0.2886751 0.2629360), wk = 0.0023419 k( 368) = ( 0.5000000 0.2886751 0.2531977), wk = 0.0023419 k( 369) = ( 0.5000000 0.2886751 0.2434593), wk = 0.0023419 k( 370) = ( 0.5000000 0.2886751 0.2337209), wk = 0.0023419 k( 371) = ( 0.5000000 0.2886751 0.2239826), wk = 0.0023419 k( 372) = ( 0.5000000 0.2886751 0.2142442), wk = 0.0023419 k( 373) = ( 0.5000000 0.2886751 0.2045058), wk = 0.0023419 k( 374) = ( 0.5000000 0.2886751 0.1947674), wk = 0.0023419 k( 375) = ( 0.5000000 0.2886751 0.1850291), wk = 0.0023419 k( 376) = ( 0.5000000 0.2886751 0.1752907), wk = 0.0023419 k( 377) = ( 0.5000000 0.2886751 0.1655523), wk = 0.0023419 k( 378) = ( 0.5000000 0.2886751 0.1558140), wk = 0.0023419 k( 379) = ( 0.5000000 0.2886751 0.1460756), wk = 0.0023419 k( 380) = ( 0.5000000 0.2886751 0.1363372), wk = 0.0023419 k( 381) = ( 0.5000000 0.2886751 0.1265988), wk = 0.0023419 k( 382) = ( 0.5000000 0.2886751 0.1168605), wk = 0.0023419 k( 383) = ( 0.5000000 0.2886751 0.1071221), wk = 0.0023419 k( 384) = ( 0.5000000 0.2886751 0.0973837), wk = 0.0023419 k( 385) = ( 0.5000000 0.2886751 0.0876453), wk = 0.0023419 k( 386) = ( 0.5000000 0.2886751 0.0779070), wk = 0.0023419 k( 387) = ( 0.5000000 0.2886751 0.0681686), wk = 0.0023419 k( 388) = ( 0.5000000 0.2886751 0.0584302), wk = 0.0023419 k( 389) = ( 0.5000000 0.2886751 0.0486919), wk = 0.0023419 k( 390) = ( 0.5000000 0.2886751 0.0389535), wk = 0.0023419 k( 391) = ( 0.5000000 0.2886751 0.0292151), wk = 0.0023419 k( 392) = ( 0.5000000 0.2886751 0.0194767), wk = 0.0023419 k( 393) = ( 0.5000000 0.2886751 0.0097384), 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 0.0097384), wk = 0.0023419 k( 397) = ( 0.3333333 0.5773503 0.0194767), wk = 0.0023419 k( 398) = ( 0.3333333 0.5773503 0.0292151), wk = 0.0023419 k( 399) = ( 0.3333333 0.5773503 0.0389535), wk = 0.0023419 k( 400) = ( 0.3333333 0.5773503 0.0486919), wk = 0.0023419 k( 401) = ( 0.3333333 0.5773503 0.0584302), wk = 0.0023419 k( 402) = ( 0.3333333 0.5773503 0.0681686), wk = 0.0023419 k( 403) = ( 0.3333333 0.5773503 0.0779070), wk = 0.0023419 k( 404) = ( 0.3333333 0.5773503 0.0876453), wk = 0.0023419 k( 405) = ( 0.3333333 0.5773503 0.0973837), wk = 0.0023419 k( 406) = ( 0.3333333 0.5773503 0.1071221), wk = 0.0023419 k( 407) = ( 0.3333333 0.5773503 0.1168605), wk = 0.0023419 k( 408) = ( 0.3333333 0.5773503 0.1265988), wk = 0.0023419 k( 409) = ( 0.3333333 0.5773503 0.1363372), wk = 0.0023419 k( 410) = ( 0.3333333 0.5773503 0.1460756), wk = 0.0023419 k( 411) = ( 0.3333333 0.5773503 0.1558140), wk = 0.0023419 k( 412) = ( 0.3333333 0.5773503 0.1655523), wk = 0.0023419 k( 413) = ( 0.3333333 0.5773503 0.1752907), wk = 0.0023419 k( 414) = ( 0.3333333 0.5773503 0.1850291), wk = 0.0023419 k( 415) = ( 0.3333333 0.5773503 0.1947674), wk = 0.0023419 k( 416) = ( 0.3333333 0.5773503 0.2045058), wk = 0.0023419 k( 417) = ( 0.3333333 0.5773503 0.2142442), wk = 0.0023419 k( 418) = ( 0.3333333 0.5773503 0.2239826), wk = 0.0023419 k( 419) = ( 0.3333333 0.5773503 0.2337209), wk = 0.0023419 k( 420) = ( 0.3333333 0.5773503 0.2434593), wk = 0.0023419 k( 421) = ( 0.3333333 0.5773503 0.2531977), wk = 0.0023419 k( 422) = ( 0.3333333 0.5773503 0.2629360), wk = 0.0023419 k( 423) = ( 0.3333333 0.5773503 0.2726744), wk = 0.0023419 k( 424) = ( 0.3333333 0.5773503 0.2824128), wk = 0.0023419 k( 425) = ( 0.3333333 0.5773503 0.2921512), wk = 0.0023419 k( 426) = ( 0.3333333 0.5773503 0.3018895), wk = 0.0023419 k( 427) = ( 0.3333333 0.5773503 0.3116279), 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 0.0686275 -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 0.1813726 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 0.0931373 -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 0.0441177 -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 0.0686275 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 0.1813726 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 0.0931373 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 0.0441177 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: 26729 G-vectors FFT dimensions: ( 36, 36, 54) Smooth grid: 10815 G-vectors FFT dimensions: ( 25, 25, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 56, 24) NL pseudopotentials 0.02 Mb ( 28, 56) Each V/rho on FFT grid 0.04 Mb ( 2592) Each G-vector array 0.00 Mb ( 553) G-vector shells 0.00 Mb ( 259) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.08 Mb ( 56, 96) Each subspace H/S matrix 0.14 Mb ( 96, 96) Each matrix 0.04 Mb ( 56, 2, 24) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./AlN.save/charge-density.dat Starting wfc are 32 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 39.3 secs Computing kpt #: 2 total cpu time spent up to now is 39.6 secs Computing kpt #: 3 total cpu time spent up to now is 40.0 secs Computing kpt #: 4 total cpu time spent up to now is 40.3 secs Computing kpt #: 5 total cpu time spent up to now is 40.7 secs Computing kpt #: 6 total cpu time spent up to now is 41.0 secs Computing kpt #: 7 total cpu time spent up to now is 41.4 secs Computing kpt #: 8 total cpu time spent up to now is 41.7 secs Computing kpt #: 9 total cpu time spent up to now is 42.0 secs Computing kpt #: 10 total cpu time spent up to now is 42.2 secs Computing kpt #: 11 total cpu time spent up to now is 42.5 secs Computing kpt #: 12 total cpu time spent up to now is 42.7 secs Computing kpt #: 13 total cpu time spent up to now is 43.0 secs Computing kpt #: 14 total cpu time spent up to now is 43.2 secs Computing kpt #: 15 total cpu time spent up to now is 43.5 secs Computing kpt #: 16 total cpu time spent up to now is 43.7 secs Computing kpt #: 17 total cpu time spent up to now is 43.9 secs Computing kpt #: 18 total cpu time spent up to now is 44.1 secs Computing kpt #: 19 total cpu time spent up to now is 44.3 secs Computing kpt #: 20 total cpu time spent up to now is 44.6 secs Computing kpt #: 21 total cpu time spent up to now is 44.8 secs Computing kpt #: 22 total cpu time spent up to now is 45.0 secs Computing kpt #: 23 total cpu time spent up to now is 45.2 secs Computing kpt #: 24 total cpu time spent up to now is 45.5 secs Computing kpt #: 25 total cpu time spent up to now is 45.7 secs Computing kpt #: 26 total cpu time spent up to now is 45.9 secs Computing kpt #: 27 total cpu time spent up to now is 46.1 secs Computing kpt #: 28 total cpu time spent up to now is 46.4 secs Computing kpt #: 29 total cpu time spent up to now is 46.6 secs Computing kpt #: 30 total cpu time spent up to now is 46.9 secs Computing kpt #: 31 total cpu time spent up to now is 47.1 secs Computing kpt #: 32 total cpu time spent up to now is 47.4 secs Computing kpt #: 33 total cpu time spent up to now is 47.6 secs Computing kpt #: 34 total cpu time spent up to now is 47.9 secs Computing kpt #: 35 total cpu time spent up to now is 48.1 secs Computing kpt #: 36 total cpu time spent up to now is 48.4 secs Computing kpt #: 37 total cpu time spent up to now is 48.6 secs Computing kpt #: 38 total cpu time spent up to now is 48.9 secs Computing kpt #: 39 total cpu time spent up to now is 49.2 secs Computing kpt #: 40 total cpu time spent up to now is 49.5 secs Computing kpt #: 41 total cpu time spent up to now is 49.8 secs Computing kpt #: 42 total cpu time spent up to now is 50.1 secs Computing kpt #: 43 total cpu time spent up to now is 50.4 secs Computing kpt #: 44 total cpu time spent up to now is 50.8 secs Computing kpt #: 45 total cpu time spent up to now is 51.1 secs Computing kpt #: 46 total cpu time spent up to now is 51.4 secs Computing kpt #: 47 total cpu time spent up to now is 51.7 secs Computing kpt #: 48 total cpu time spent up to now is 52.1 secs Computing kpt #: 49 total cpu time spent up to now is 52.4 secs Computing kpt #: 50 total cpu time spent up to now is 52.7 secs Computing kpt #: 51 total cpu time spent up to now is 53.0 secs Computing kpt #: 52 total cpu time spent up to now is 53.2 secs Computing kpt #: 53 total cpu time spent up to now is 53.5 secs Computing kpt #: 54 total cpu time spent up to now is 53.8 secs Computing kpt #: 55 total cpu time spent up to now is 54.1 secs Computing kpt #: 56 total cpu time spent up to now is 54.4 secs Computing kpt #: 57 total cpu time spent up to now is 54.6 secs Computing kpt #: 58 total cpu time spent up to now is 54.9 secs Computing kpt #: 59 total cpu time spent up to now is 55.2 secs Computing kpt #: 60 total cpu time spent up to now is 55.5 secs Computing kpt #: 61 total cpu time spent up to now is 55.8 secs Computing kpt #: 62 total cpu time spent up to now is 56.1 secs Computing kpt #: 63 total cpu time spent up to now is 56.4 secs Computing kpt #: 64 total cpu time spent up to now is 56.7 secs Computing kpt #: 65 total cpu time spent up to now is 57.0 secs Computing kpt #: 66 total cpu time spent up to now is 57.4 secs Computing kpt #: 67 total cpu time spent up to now is 57.7 secs Computing kpt #: 68 total cpu time spent up to now is 58.0 secs Computing kpt #: 69 total cpu time spent up to now is 58.3 secs Computing kpt #: 70 total cpu time spent up to now is 58.6 secs Computing kpt #: 71 total cpu time spent up to now is 58.9 secs Computing kpt #: 72 total cpu time spent up to now is 59.1 secs Computing kpt #: 73 total cpu time spent up to now is 59.4 secs Computing kpt #: 74 total cpu time spent up to now is 59.7 secs Computing kpt #: 75 total cpu time spent up to now is 59.9 secs Computing kpt #: 76 total cpu time spent up to now is 60.2 secs Computing kpt #: 77 total cpu time spent up to now is 60.5 secs Computing kpt #: 78 total cpu time spent up to now is 60.7 secs Computing kpt #: 79 total cpu time spent up to now is 61.0 secs Computing kpt #: 80 total cpu time spent up to now is 61.3 secs Computing kpt #: 81 total cpu time spent up to now is 61.5 secs Computing kpt #: 82 total cpu time spent up to now is 61.8 secs Computing kpt #: 83 total cpu time spent up to now is 62.1 secs Computing kpt #: 84 total cpu time spent up to now is 62.4 secs Computing kpt #: 85 total cpu time spent up to now is 62.7 secs Computing kpt #: 86 total cpu time spent up to now is 63.0 secs Computing kpt #: 87 total cpu time spent up to now is 63.3 secs Computing kpt #: 88 total cpu time spent up to now is 63.6 secs Computing kpt #: 89 total cpu time spent up to now is 63.9 secs Computing kpt #: 90 total cpu time spent up to now is 64.2 secs Computing kpt #: 91 total cpu time spent up to now is 64.4 secs Computing kpt #: 92 total cpu time spent up to now is 64.7 secs Computing kpt #: 93 total cpu time spent up to now is 65.0 secs Computing kpt #: 94 total cpu time spent up to now is 65.2 secs Computing kpt #: 95 total cpu time spent up to now is 65.5 secs Computing kpt #: 96 total cpu time spent up to now is 65.7 secs Computing kpt #: 97 total cpu time spent up to now is 66.0 secs Computing kpt #: 98 total cpu time spent up to now is 66.3 secs Computing kpt #: 99 total cpu time spent up to now is 66.5 secs Computing kpt #: 100 total cpu time spent up to now is 66.8 secs Computing kpt #: 101 total cpu time spent up to now is 67.0 secs Computing kpt #: 102 total cpu time spent up to now is 67.3 secs Computing kpt #: 103 total cpu time spent up to now is 67.6 secs Computing kpt #: 104 total cpu time spent up to now is 67.9 secs Computing kpt #: 105 total cpu time spent up to now is 68.1 secs Computing kpt #: 106 total cpu time spent up to now is 68.4 secs Computing kpt #: 107 total cpu time spent up to now is 68.7 secs Computing kpt #: 108 total cpu time spent up to now is 69.0 secs Computing kpt #: 109 total cpu time spent up to now is 69.3 secs Computing kpt #: 110 total cpu time spent up to now is 69.6 secs Computing kpt #: 111 total cpu time spent up to now is 69.8 secs Computing kpt #: 112 total cpu time spent up to now is 70.1 secs Computing kpt #: 113 total cpu time spent up to now is 70.4 secs Computing kpt #: 114 total cpu time spent up to now is 70.6 secs Computing kpt #: 115 total cpu time spent up to now is 70.9 secs Computing kpt #: 116 total cpu time spent up to now is 71.2 secs Computing kpt #: 117 total cpu time spent up to now is 71.4 secs Computing kpt #: 118 total cpu time spent up to now is 71.7 secs Computing kpt #: 119 total cpu time spent up to now is 72.0 secs Computing kpt #: 120 total cpu time spent up to now is 72.2 secs Computing kpt #: 121 total cpu time spent up to now is 72.5 secs Computing kpt #: 122 total cpu time spent up to now is 72.7 secs Computing kpt #: 123 total cpu time spent up to now is 73.0 secs Computing kpt #: 124 total cpu time spent up to now is 73.2 secs Computing kpt #: 125 total cpu time spent up to now is 73.4 secs Computing kpt #: 126 total cpu time spent up to now is 73.7 secs Computing kpt #: 127 total cpu time spent up to now is 74.0 secs Computing kpt #: 128 total cpu time spent up to now is 74.2 secs Computing kpt #: 129 total cpu time spent up to now is 74.5 secs Computing kpt #: 130 total cpu time spent up to now is 74.7 secs Computing kpt #: 131 total cpu time spent up to now is 75.0 secs Computing kpt #: 132 total cpu time spent up to now is 75.2 secs Computing kpt #: 133 total cpu time spent up to now is 75.4 secs Computing kpt #: 134 total cpu time spent up to now is 75.7 secs Computing kpt #: 135 total cpu time spent up to now is 75.9 secs Computing kpt #: 136 total cpu time spent up to now is 76.1 secs Computing kpt #: 137 total cpu time spent up to now is 76.4 secs Computing kpt #: 138 total cpu time spent up to now is 76.6 secs Computing kpt #: 139 total cpu time spent up to now is 76.8 secs Computing kpt #: 140 total cpu time spent up to now is 77.1 secs Computing kpt #: 141 total cpu time spent up to now is 77.3 secs Computing kpt #: 142 total cpu time spent up to now is 77.5 secs Computing kpt #: 143 total cpu time spent up to now is 77.7 secs Computing kpt #: 144 total cpu time spent up to now is 78.1 secs Computing kpt #: 145 total cpu time spent up to now is 78.3 secs Computing kpt #: 146 total cpu time spent up to now is 78.5 secs Computing kpt #: 147 total cpu time spent up to now is 78.8 secs Computing kpt #: 148 total cpu time spent up to now is 79.1 secs Computing kpt #: 149 total cpu time spent up to now is 79.3 secs Computing kpt #: 150 total cpu time spent up to now is 79.6 secs Computing kpt #: 151 total cpu time spent up to now is 79.8 secs Computing kpt #: 152 total cpu time spent up to now is 80.2 secs Computing kpt #: 153 total cpu time spent up to now is 80.5 secs Computing kpt #: 154 total cpu time spent up to now is 80.8 secs Computing kpt #: 155 total cpu time spent up to now is 81.1 secs Computing kpt #: 156 total cpu time spent up to now is 81.4 secs Computing kpt #: 157 total cpu time spent up to now is 81.8 secs Computing kpt #: 158 total cpu time spent up to now is 82.1 secs Computing kpt #: 159 total cpu time spent up to now is 82.4 secs Computing kpt #: 160 total cpu time spent up to now is 82.8 secs Computing kpt #: 161 total cpu time spent up to now is 83.2 secs Computing kpt #: 162 total cpu time spent up to now is 83.5 secs Computing kpt #: 163 total cpu time spent up to now is 83.9 secs Computing kpt #: 164 total cpu time spent up to now is 84.3 secs Computing kpt #: 165 total cpu time spent up to now is 84.7 secs Computing kpt #: 166 total cpu time spent up to now is 85.3 secs Computing kpt #: 167 total cpu time spent up to now is 85.7 secs Computing kpt #: 168 total cpu time spent up to now is 86.1 secs Computing kpt #: 169 total cpu time spent up to now is 86.5 secs Computing kpt #: 170 total cpu time spent up to now is 86.9 secs Computing kpt #: 171 total cpu time spent up to now is 87.4 secs Computing kpt #: 172 total cpu time spent up to now is 87.7 secs Computing kpt #: 173 total cpu time spent up to now is 88.1 secs Computing kpt #: 174 total cpu time spent up to now is 88.5 secs Computing kpt #: 175 total cpu time spent up to now is 88.9 secs Computing kpt #: 176 total cpu time spent up to now is 89.3 secs Computing kpt #: 177 total cpu time spent up to now is 89.8 secs Computing kpt #: 178 total cpu time spent up to now is 90.3 secs Computing kpt #: 179 total cpu time spent up to now is 90.7 secs Computing kpt #: 180 total cpu time spent up to now is 91.2 secs Computing kpt #: 181 total cpu time spent up to now is 91.7 secs Computing kpt #: 182 total cpu time spent up to now is 92.3 secs Computing kpt #: 183 total cpu time spent up to now is 93.0 secs Computing kpt #: 184 total cpu time spent up to now is 93.7 secs Computing kpt #: 185 total cpu time spent up to now is 94.5 secs Computing kpt #: 186 total cpu time spent up to now is 95.1 secs Computing kpt #: 187 total cpu time spent up to now is 95.5 secs Computing kpt #: 188 total cpu time spent up to now is 95.9 secs Computing kpt #: 189 total cpu time spent up to now is 96.2 secs Computing kpt #: 190 total cpu time spent up to now is 96.5 secs Computing kpt #: 191 total cpu time spent up to now is 96.8 secs Computing kpt #: 192 total cpu time spent up to now is 97.0 secs Computing kpt #: 193 total cpu time spent up to now is 97.3 secs Computing kpt #: 194 total cpu time spent up to now is 97.5 secs Computing kpt #: 195 total cpu time spent up to now is 97.8 secs Computing kpt #: 196 total cpu time spent up to now is 98.2 secs Computing kpt #: 197 total cpu time spent up to now is 98.5 secs Computing kpt #: 198 total cpu time spent up to now is 98.8 secs Computing kpt #: 199 total cpu time spent up to now is 99.0 secs Computing kpt #: 200 total cpu time spent up to now is 99.3 secs Computing kpt #: 201 total cpu time spent up to now is 99.6 secs Computing kpt #: 202 total cpu time spent up to now is 99.8 secs Computing kpt #: 203 total cpu time spent up to now is 100.1 secs Computing kpt #: 204 total cpu time spent up to now is 100.4 secs Computing kpt #: 205 total cpu time spent up to now is 100.7 secs Computing kpt #: 206 total cpu time spent up to now is 100.9 secs Computing kpt #: 207 total cpu time spent up to now is 101.2 secs Computing kpt #: 208 total cpu time spent up to now is 101.5 secs Computing kpt #: 209 total cpu time spent up to now is 101.7 secs Computing kpt #: 210 total cpu time spent up to now is 102.0 secs Computing kpt #: 211 total cpu time spent up to now is 102.2 secs Computing kpt #: 212 total cpu time spent up to now is 102.5 secs Computing kpt #: 213 total cpu time spent up to now is 102.7 secs Computing kpt #: 214 total cpu time spent up to now is 103.0 secs Computing kpt #: 215 total cpu time spent up to now is 103.2 secs Computing kpt #: 216 total cpu time spent up to now is 103.5 secs Computing kpt #: 217 total cpu time spent up to now is 103.7 secs Computing kpt #: 218 total cpu time spent up to now is 104.0 secs Computing kpt #: 219 total cpu time spent up to now is 104.2 secs Computing kpt #: 220 total cpu time spent up to now is 104.6 secs Computing kpt #: 221 total cpu time spent up to now is 104.8 secs Computing kpt #: 222 total cpu time spent up to now is 105.1 secs Computing kpt #: 223 total cpu time spent up to now is 105.4 secs Computing kpt #: 224 total cpu time spent up to now is 105.6 secs Computing kpt #: 225 total cpu time spent up to now is 105.9 secs Computing kpt #: 226 total cpu time spent up to now is 106.1 secs Computing kpt #: 227 total cpu time spent up to now is 106.3 secs Computing kpt #: 228 total cpu time spent up to now is 106.6 secs Computing kpt #: 229 total cpu time spent up to now is 106.8 secs Computing kpt #: 230 total cpu time spent up to now is 107.1 secs Computing kpt #: 231 total cpu time spent up to now is 107.4 secs Computing kpt #: 232 total cpu time spent up to now is 107.6 secs Computing kpt #: 233 total cpu time spent up to now is 107.9 secs Computing kpt #: 234 total cpu time spent up to now is 108.1 secs Computing kpt #: 235 total cpu time spent up to now is 108.4 secs Computing kpt #: 236 total cpu time spent up to now is 108.6 secs Computing kpt #: 237 total cpu time spent up to now is 108.9 secs Computing kpt #: 238 total cpu time spent up to now is 109.1 secs Computing kpt #: 239 total cpu time spent up to now is 109.4 secs Computing kpt #: 240 total cpu time spent up to now is 109.7 secs Computing kpt #: 241 total cpu time spent up to now is 110.0 secs Computing kpt #: 242 total cpu time spent up to now is 110.2 secs Computing kpt #: 243 total cpu time spent up to now is 110.5 secs Computing kpt #: 244 total cpu time spent up to now is 110.8 secs Computing kpt #: 245 total cpu time spent up to now is 111.1 secs Computing kpt #: 246 total cpu time spent up to now is 111.4 secs Computing kpt #: 247 total cpu time spent up to now is 111.6 secs Computing kpt #: 248 total cpu time spent up to now is 111.9 secs Computing kpt #: 249 total cpu time spent up to now is 112.2 secs Computing kpt #: 250 total cpu time spent up to now is 112.4 secs Computing kpt #: 251 total cpu time spent up to now is 112.7 secs Computing kpt #: 252 total cpu time spent up to now is 112.9 secs Computing kpt #: 253 total cpu time spent up to now is 113.2 secs Computing kpt #: 254 total cpu time spent up to now is 113.4 secs Computing kpt #: 255 total cpu time spent up to now is 113.7 secs Computing kpt #: 256 total cpu time spent up to now is 114.0 secs Computing kpt #: 257 total cpu time spent up to now is 114.2 secs Computing kpt #: 258 total cpu time spent up to now is 114.5 secs Computing kpt #: 259 total cpu time spent up to now is 114.7 secs Computing kpt #: 260 total cpu time spent up to now is 115.0 secs Computing kpt #: 261 total cpu time spent up to now is 115.3 secs Computing kpt #: 262 total cpu time spent up to now is 115.5 secs Computing kpt #: 263 total cpu time spent up to now is 115.8 secs Computing kpt #: 264 total cpu time spent up to now is 116.1 secs Computing kpt #: 265 total cpu time spent up to now is 116.3 secs Computing kpt #: 266 total cpu time spent up to now is 116.6 secs Computing kpt #: 267 total cpu time spent up to now is 116.9 secs Computing kpt #: 268 total cpu time spent up to now is 117.2 secs Computing kpt #: 269 total cpu time spent up to now is 117.4 secs Computing kpt #: 270 total cpu time spent up to now is 117.7 secs Computing kpt #: 271 total cpu time spent up to now is 118.0 secs Computing kpt #: 272 total cpu time spent up to now is 118.3 secs Computing kpt #: 273 total cpu time spent up to now is 118.5 secs Computing kpt #: 274 total cpu time spent up to now is 118.8 secs Computing kpt #: 275 total cpu time spent up to now is 119.0 secs Computing kpt #: 276 total cpu time spent up to now is 119.3 secs Computing kpt #: 277 total cpu time spent up to now is 119.5 secs Computing kpt #: 278 total cpu time spent up to now is 119.8 secs Computing kpt #: 279 total cpu time spent up to now is 120.0 secs Computing kpt #: 280 total cpu time spent up to now is 120.2 secs Computing kpt #: 281 total cpu time spent up to now is 120.5 secs Computing kpt #: 282 total cpu time spent up to now is 120.7 secs Computing kpt #: 283 total cpu time spent up to now is 121.0 secs Computing kpt #: 284 total cpu time spent up to now is 121.2 secs Computing kpt #: 285 total cpu time spent up to now is 121.4 secs Computing kpt #: 286 total cpu time spent up to now is 121.7 secs Computing kpt #: 287 total cpu time spent up to now is 121.9 secs Computing kpt #: 288 total cpu time spent up to now is 122.2 secs Computing kpt #: 289 total cpu time spent up to now is 122.5 secs Computing kpt #: 290 total cpu time spent up to now is 122.7 secs Computing kpt #: 291 total cpu time spent up to now is 123.0 secs Computing kpt #: 292 total cpu time spent up to now is 123.3 secs Computing kpt #: 293 total cpu time spent up to now is 123.5 secs Computing kpt #: 294 total cpu time spent up to now is 123.7 secs Computing kpt #: 295 total cpu time spent up to now is 123.9 secs Computing kpt #: 296 total cpu time spent up to now is 124.2 secs Computing kpt #: 297 total cpu time spent up to now is 124.4 secs Computing kpt #: 298 total cpu time spent up to now is 124.6 secs Computing kpt #: 299 total cpu time spent up to now is 124.8 secs Computing kpt #: 300 total cpu time spent up to now is 125.1 secs Computing kpt #: 301 total cpu time spent up to now is 125.3 secs Computing kpt #: 302 total cpu time spent up to now is 125.5 secs Computing kpt #: 303 total cpu time spent up to now is 125.7 secs Computing kpt #: 304 total cpu time spent up to now is 126.0 secs Computing kpt #: 305 total cpu time spent up to now is 126.2 secs Computing kpt #: 306 total cpu time spent up to now is 126.5 secs Computing kpt #: 307 total cpu time spent up to now is 126.7 secs Computing kpt #: 308 total cpu time spent up to now is 126.9 secs Computing kpt #: 309 total cpu time spent up to now is 127.2 secs Computing kpt #: 310 total cpu time spent up to now is 127.4 secs Computing kpt #: 311 total cpu time spent up to now is 127.7 secs Computing kpt #: 312 total cpu time spent up to now is 127.9 secs Computing kpt #: 313 total cpu time spent up to now is 128.2 secs Computing kpt #: 314 total cpu time spent up to now is 128.6 secs Computing kpt #: 315 total cpu time spent up to now is 128.8 secs Computing kpt #: 316 total cpu time spent up to now is 129.1 secs Computing kpt #: 317 total cpu time spent up to now is 129.4 secs Computing kpt #: 318 total cpu time spent up to now is 129.6 secs Computing kpt #: 319 total cpu time spent up to now is 129.9 secs Computing kpt #: 320 total cpu time spent up to now is 130.1 secs Computing kpt #: 321 total cpu time spent up to now is 130.4 secs Computing kpt #: 322 total cpu time spent up to now is 130.6 secs Computing kpt #: 323 total cpu time spent up to now is 130.9 secs Computing kpt #: 324 total cpu time spent up to now is 131.2 secs Computing kpt #: 325 total cpu time spent up to now is 131.4 secs Computing kpt #: 326 total cpu time spent up to now is 131.7 secs Computing kpt #: 327 total cpu time spent up to now is 131.9 secs Computing kpt #: 328 total cpu time spent up to now is 132.2 secs Computing kpt #: 329 total cpu time spent up to now is 132.4 secs Computing kpt #: 330 total cpu time spent up to now is 132.7 secs Computing kpt #: 331 total cpu time spent up to now is 132.9 secs Computing kpt #: 332 total cpu time spent up to now is 133.2 secs Computing kpt #: 333 total cpu time spent up to now is 133.4 secs Computing kpt #: 334 total cpu time spent up to now is 133.7 secs Computing kpt #: 335 total cpu time spent up to now is 133.9 secs Computing kpt #: 336 total cpu time spent up to now is 134.2 secs Computing kpt #: 337 total cpu time spent up to now is 134.4 secs Computing kpt #: 338 total cpu time spent up to now is 134.6 secs Computing kpt #: 339 total cpu time spent up to now is 134.9 secs Computing kpt #: 340 total cpu time spent up to now is 135.2 secs Computing kpt #: 341 total cpu time spent up to now is 135.5 secs Computing kpt #: 342 total cpu time spent up to now is 135.7 secs Computing kpt #: 343 total cpu time spent up to now is 136.0 secs Computing kpt #: 344 total cpu time spent up to now is 136.2 secs Computing kpt #: 345 total cpu time spent up to now is 136.4 secs Computing kpt #: 346 total cpu time spent up to now is 136.6 secs Computing kpt #: 347 total cpu time spent up to now is 136.9 secs Computing kpt #: 348 total cpu time spent up to now is 137.1 secs Computing kpt #: 349 total cpu time spent up to now is 137.3 secs Computing kpt #: 350 total cpu time spent up to now is 137.5 secs Computing kpt #: 351 total cpu time spent up to now is 137.8 secs Computing kpt #: 352 total cpu time spent up to now is 138.0 secs Computing kpt #: 353 total cpu time spent up to now is 138.2 secs Computing kpt #: 354 total cpu time spent up to now is 138.5 secs Computing kpt #: 355 total cpu time spent up to now is 138.7 secs Computing kpt #: 356 total cpu time spent up to now is 139.0 secs Computing kpt #: 357 total cpu time spent up to now is 139.2 secs Computing kpt #: 358 total cpu time spent up to now is 139.5 secs Computing kpt #: 359 total cpu time spent up to now is 139.7 secs Computing kpt #: 360 total cpu time spent up to now is 140.0 secs Computing kpt #: 361 total cpu time spent up to now is 140.2 secs Computing kpt #: 362 total cpu time spent up to now is 140.5 secs Computing kpt #: 363 total cpu time spent up to now is 140.8 secs Computing kpt #: 364 total cpu time spent up to now is 141.1 secs Computing kpt #: 365 total cpu time spent up to now is 141.4 secs Computing kpt #: 366 total cpu time spent up to now is 141.7 secs Computing kpt #: 367 total cpu time spent up to now is 142.0 secs Computing kpt #: 368 total cpu time spent up to now is 142.2 secs Computing kpt #: 369 total cpu time spent up to now is 142.5 secs Computing kpt #: 370 total cpu time spent up to now is 142.8 secs Computing kpt #: 371 total cpu time spent up to now is 143.1 secs Computing kpt #: 372 total cpu time spent up to now is 143.3 secs Computing kpt #: 373 total cpu time spent up to now is 143.6 secs Computing kpt #: 374 total cpu time spent up to now is 143.9 secs Computing kpt #: 375 total cpu time spent up to now is 144.1 secs Computing kpt #: 376 total cpu time spent up to now is 144.4 secs Computing kpt #: 377 total cpu time spent up to now is 144.7 secs Computing kpt #: 378 total cpu time spent up to now is 144.9 secs Computing kpt #: 379 total cpu time spent up to now is 145.2 secs Computing kpt #: 380 total cpu time spent up to now is 145.4 secs Computing kpt #: 381 total cpu time spent up to now is 145.7 secs Computing kpt #: 382 total cpu time spent up to now is 146.0 secs Computing kpt #: 383 total cpu time spent up to now is 146.3 secs Computing kpt #: 384 total cpu time spent up to now is 146.5 secs Computing kpt #: 385 total cpu time spent up to now is 146.8 secs Computing kpt #: 386 total cpu time spent up to now is 147.2 secs Computing kpt #: 387 total cpu time spent up to now is 147.5 secs Computing kpt #: 388 total cpu time spent up to now is 147.8 secs Computing kpt #: 389 total cpu time spent up to now is 148.1 secs Computing kpt #: 390 total cpu time spent up to now is 148.3 secs Computing kpt #: 391 total cpu time spent up to now is 148.7 secs Computing kpt #: 392 total cpu time spent up to now is 149.0 secs Computing kpt #: 393 total cpu time spent up to now is 149.2 secs Computing kpt #: 394 total cpu time spent up to now is 149.5 secs Computing kpt #: 395 total cpu time spent up to now is 149.8 secs Computing kpt #: 396 total cpu time spent up to now is 150.0 secs Computing kpt #: 397 total cpu time spent up to now is 150.3 secs Computing kpt #: 398 total cpu time spent up to now is 150.5 secs Computing kpt #: 399 total cpu time spent up to now is 150.8 secs Computing kpt #: 400 total cpu time spent up to now is 151.1 secs Computing kpt #: 401 total cpu time spent up to now is 151.3 secs Computing kpt #: 402 total cpu time spent up to now is 151.6 secs Computing kpt #: 403 total cpu time spent up to now is 151.9 secs Computing kpt #: 404 total cpu time spent up to now is 152.1 secs Computing kpt #: 405 total cpu time spent up to now is 152.4 secs Computing kpt #: 406 total cpu time spent up to now is 152.7 secs Computing kpt #: 407 total cpu time spent up to now is 153.0 secs Computing kpt #: 408 total cpu time spent up to now is 153.3 secs Computing kpt #: 409 total cpu time spent up to now is 153.6 secs Computing kpt #: 410 total cpu time spent up to now is 153.9 secs Computing kpt #: 411 total cpu time spent up to now is 154.1 secs Computing kpt #: 412 total cpu time spent up to now is 154.4 secs Computing kpt #: 413 total cpu time spent up to now is 154.6 secs Computing kpt #: 414 total cpu time spent up to now is 154.8 secs Computing kpt #: 415 total cpu time spent up to now is 155.0 secs Computing kpt #: 416 total cpu time spent up to now is 155.3 secs Computing kpt #: 417 total cpu time spent up to now is 155.5 secs Computing kpt #: 418 total cpu time spent up to now is 155.7 secs Computing kpt #: 419 total cpu time spent up to now is 155.9 secs Computing kpt #: 420 total cpu time spent up to now is 156.2 secs Computing kpt #: 421 total cpu time spent up to now is 156.4 secs Computing kpt #: 422 total cpu time spent up to now is 156.6 secs Computing kpt #: 423 total cpu time spent up to now is 156.8 secs Computing kpt #: 424 total cpu time spent up to now is 157.1 secs Computing kpt #: 425 total cpu time spent up to now is 157.3 secs Computing kpt #: 426 total cpu time spent up to now is 157.5 secs Computing kpt #: 427 total cpu time spent up to now is 157.8 secs ethr = 6.25E-11, avg # of iterations = 23.5 total cpu time spent up to now is 158.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1387 PWs) bands (ev): -7.9526 -7.9526 -5.7294 -5.7294 1.2789 1.2789 6.5258 6.5258 6.5413 6.5413 7.1801 7.1801 7.1932 7.1932 7.4085 7.4085 11.8388 11.8388 14.3252 14.3252 18.2257 18.2257 18.7731 18.7731 k = 0.0085 0.0049-0.0000 ( 1375 PWs) bands (ev): -7.9517 -7.9517 -5.7289 -5.7288 1.2799 1.2801 6.5227 6.5229 6.5385 6.5386 7.1771 7.1776 7.1912 7.1913 7.4079 7.4084 11.8436 11.8436 14.3292 14.3295 18.2215 18.2218 18.7689 18.7695 k = 0.0169 0.0098-0.0000 ( 1371 PWs) bands (ev): -7.9488 -7.9488 -5.7273 -5.7271 1.2832 1.2835 6.5117 6.5121 6.5318 6.5319 7.1651 7.1661 7.1883 7.1885 7.4066 7.4076 11.8579 11.8580 14.3416 14.3421 18.2093 18.2099 18.7487 18.7498 k = 0.0254 0.0147-0.0000 ( 1363 PWs) bands (ev): -7.9440 -7.9440 -5.7246 -5.7242 1.2888 1.2892 6.4906 6.4913 6.5235 6.5236 7.1425 7.1439 7.1869 7.1871 7.4046 7.4060 11.8815 11.8816 14.3621 14.3629 18.1891 18.1899 18.7100 18.7117 k = 0.0339 0.0196-0.0000 ( 1359 PWs) bands (ev): -7.9374 -7.9374 -5.7208 -5.7203 1.2966 1.2971 6.4598 6.4606 6.5136 6.5137 7.1103 7.1119 7.1860 7.1861 7.4019 7.4035 11.9140 11.9142 14.3906 14.3917 18.1607 18.1618 18.6562 18.6584 k = 0.0424 0.0245-0.0000 ( 1357 PWs) bands (ev): -7.9288 -7.9288 -5.7159 -5.7153 1.3066 1.3073 6.4200 6.4210 6.5015 6.5016 7.0697 7.0714 7.1849 7.1850 7.3984 7.4002 11.9549 11.9551 14.4267 14.4280 18.1245 18.1258 18.5895 18.5921 k = 0.0508 0.0294-0.0000 ( 1355 PWs) bands (ev): -7.9184 -7.9184 -5.7100 -5.7092 1.3188 1.3197 6.3716 6.3727 6.4873 6.4873 7.0213 7.0231 7.1835 7.1837 7.3940 7.3960 12.0037 12.0039 14.4700 14.4716 18.0803 18.0819 18.5119 18.5150 k = 0.0593 0.0342-0.0000 ( 1355 PWs) bands (ev): -7.9061 -7.9061 -5.7029 -5.7021 1.3332 1.3343 6.3150 6.3163 6.4709 6.4709 6.9657 6.9676 7.1818 7.1820 7.3887 7.3908 12.0596 12.0599 14.5200 14.5219 18.0284 18.0302 18.4253 18.4288 k = 0.0678 0.0391-0.0000 ( 1355 PWs) bands (ev): -7.8919 -7.8919 -5.6949 -5.6939 1.3499 1.3511 6.2507 6.2522 6.4525 6.4525 6.9038 6.9057 7.1797 7.1798 7.3826 7.3847 12.1220 12.1223 14.5763 14.5784 17.9687 17.9706 18.3318 18.3357 k = 0.0763 0.0440-0.0000 ( 1353 PWs) bands (ev): -7.8758 -7.8758 -5.6858 -5.6847 1.3688 1.3701 6.1791 6.1807 6.4321 6.4322 6.8361 6.8380 7.1770 7.1772 7.3755 7.3777 12.1901 12.1906 14.6380 14.6403 17.9012 17.9032 18.2334 18.2378 k = 0.0847 0.0489-0.0000 ( 1357 PWs) bands (ev): -7.8579 -7.8579 -5.6757 -5.6745 1.3898 1.3913 6.1006 6.1023 6.4100 6.4100 6.7632 6.7651 7.1738 7.1739 7.3675 7.3697 12.2633 12.2638 14.7045 14.7070 17.8257 17.8277 18.1323 18.1371 k = 0.0932 0.0538-0.0000 ( 1357 PWs) bands (ev): -7.8382 -7.8382 -5.6647 -5.6634 1.4131 1.4147 6.0158 6.0177 6.3862 6.3862 6.6858 6.6876 7.1700 7.1701 7.3584 7.3607 12.3407 12.3413 14.7749 14.7776 17.7418 17.7438 18.0308 18.0359 k = 0.1017 0.0587-0.0000 ( 1357 PWs) bands (ev): -7.8167 -7.8167 -5.6527 -5.6513 1.4385 1.4403 5.9252 5.9271 6.3609 6.3610 6.6044 6.6062 7.1655 7.1656 7.3484 7.3507 12.4218 12.4225 14.8484 14.8513 17.6494 17.6513 17.9311 17.9365 k = 0.1102 0.0636-0.0000 ( 1361 PWs) bands (ev): -7.7934 -7.7934 -5.6399 -5.6383 1.4661 1.4680 5.8292 5.8311 6.3343 6.3343 6.5196 6.5214 7.1602 7.1603 7.3373 7.3396 12.5059 12.5067 14.9238 14.9269 17.5483 17.5502 17.8353 17.8410 k = 0.1186 0.0685-0.0000 ( 1355 PWs) bands (ev): -7.7683 -7.7683 -5.6261 -5.6245 1.4958 1.4979 5.7284 5.7305 6.3065 6.3065 6.4318 6.4335 7.1543 7.1544 7.3252 7.3275 12.5922 12.5931 15.0001 15.0033 17.4392 17.4409 17.7450 17.7509 k = 0.1271 0.0734-0.0000 ( 1355 PWs) bands (ev): -7.7415 -7.7415 -5.6116 -5.6098 1.5277 1.5299 5.6234 5.6255 6.2775 6.2775 6.3413 6.3431 7.1476 7.1477 7.3118 7.3142 12.6803 12.6813 15.0758 15.0791 17.3231 17.3246 17.6611 17.6672 k = 0.1356 0.0783-0.0000 ( 1357 PWs) bands (ev): -7.7130 -7.7129 -5.5963 -5.5944 1.5616 1.5640 5.5145 5.5167 6.2447 6.2456 6.2516 6.2524 7.1402 7.1403 7.2974 7.2998 12.7694 12.7706 15.1494 15.1528 17.2013 17.2027 17.5848 17.5908 k = 0.1441 0.0832-0.0000 ( 1357 PWs) bands (ev): -7.6827 -7.6827 -5.5802 -5.5782 1.5977 1.6001 5.4023 5.4045 6.1535 6.1553 6.2174 6.2174 7.1322 7.1323 7.2817 7.2842 12.8591 12.8604 15.2193 15.2227 17.0754 17.0766 17.5169 17.5229 k = 0.1525 0.0881-0.0000 ( 1355 PWs) bands (ev): -7.6508 -7.6508 -5.5635 -5.5614 1.6358 1.6384 5.2872 5.2895 6.0575 6.0592 6.1859 6.1860 7.1233 7.1235 7.2648 7.2673 12.9487 12.9503 15.2836 15.2869 16.9466 16.9476 17.4587 17.4647 k = 0.1610 0.0930-0.0000 ( 1355 PWs) bands (ev): -7.6173 -7.6173 -5.5461 -5.5439 1.6760 1.6787 5.1699 5.1722 5.9600 5.9617 6.1540 6.1540 7.1138 7.1139 7.2466 7.2492 13.0377 13.0394 15.3403 15.3435 16.8161 16.8167 17.4119 17.4177 k = 0.1695 0.0979-0.0000 ( 1357 PWs) bands (ev): -7.5822 -7.5821 -5.5282 -5.5259 1.7182 1.7210 5.0506 5.0530 5.8614 5.8631 6.1217 6.1217 7.1036 7.1037 7.2270 7.2296 13.1256 13.1274 15.3874 15.3904 16.6847 16.6850 17.3779 17.3835 k = 0.1780 0.1027-0.0000 ( 1357 PWs) bands (ev): -7.5456 -7.5455 -5.5098 -5.5074 1.7623 1.7653 4.9299 4.9323 5.7620 5.7637 6.0889 6.0890 7.0927 7.0929 7.2060 7.2087 13.2116 13.2137 15.4231 15.4257 16.5534 16.5535 17.3583 17.3635 k = 0.1864 0.1076-0.0000 ( 1355 PWs) bands (ev): -7.5074 -7.5073 -5.4909 -5.4885 1.8085 1.8116 4.8080 4.8104 5.6620 5.6637 6.0560 6.0560 7.0813 7.0815 7.1836 7.1863 13.2953 13.2976 15.4459 15.4482 16.4231 16.4233 17.3538 17.3586 k = 0.1949 0.1125-0.0000 ( 1355 PWs) bands (ev): -7.4677 -7.4676 -5.4717 -5.4692 1.8566 1.8598 4.6854 4.6878 5.5617 5.5634 6.0229 6.0229 7.0693 7.0695 7.1597 7.1624 13.3760 13.3786 15.4551 15.4569 16.2949 16.2955 17.3648 17.3691 k = 0.2034 0.1174-0.0000 ( 1355 PWs) bands (ev): -7.4267 -7.4265 -5.4523 -5.4496 1.9065 1.9099 4.5623 4.5648 5.4612 5.4629 5.9897 5.9897 7.0567 7.0570 7.1342 7.1370 13.4530 13.4559 15.4501 15.4516 16.1704 16.1713 17.3905 17.3943 k = 0.2119 0.1223-0.0000 ( 1351 PWs) bands (ev): -7.3842 -7.3841 -5.4326 -5.4298 1.9584 1.9618 4.4392 4.4417 5.3608 5.3625 5.9566 5.9566 7.0437 7.0441 7.1073 7.1101 13.5257 13.5288 15.4311 15.4322 16.0512 16.0525 17.4293 17.4326 k = 0.2203 0.1272-0.0000 ( 1345 PWs) bands (ev): -7.3405 -7.3403 -5.4128 -5.4099 2.0120 2.0156 4.3164 4.3188 5.2606 5.2623 5.9236 5.9236 7.0302 7.0307 7.0789 7.0816 13.5933 13.5968 15.3981 15.3988 15.9399 15.9415 17.4791 17.4819 k = 0.2288 0.1321-0.0000 ( 1343 PWs) bands (ev): -7.2954 -7.2953 -5.3929 -5.3900 2.0674 2.0712 4.1940 4.1964 5.1609 5.1625 5.8908 5.8908 7.0161 7.0169 7.0490 7.0515 13.6550 13.6588 15.3507 15.3511 15.8393 15.8412 17.5372 17.5395 k = 0.2373 0.1370-0.0000 ( 1347 PWs) bands (ev): -7.2492 -7.2490 -5.3731 -5.3702 2.1246 2.1284 4.0724 4.0748 5.0617 5.0633 5.8583 5.8583 7.0003 7.0021 7.0185 7.0202 13.7100 13.7141 15.2887 15.2889 15.7524 15.7546 17.6006 17.6025 k = 0.2458 0.1419-0.0000 ( 1347 PWs) bands (ev): -7.2018 -7.2016 -5.3535 -5.3505 2.1834 2.1874 3.9519 3.9543 4.9633 4.9649 5.8261 5.8261 6.9771 6.9813 6.9929 6.9937 13.7577 13.7621 15.2125 15.2127 15.6813 15.6835 17.6663 17.6680 k = 0.2542 0.1468-0.0000 ( 1347 PWs) bands (ev): -7.1534 -7.1531 -5.3341 -5.3310 2.2439 2.2480 3.8328 3.8351 4.8658 4.8674 5.7944 5.7944 6.9437 6.9478 6.9763 6.9770 13.7973 13.8020 15.1246 15.1249 15.6259 15.6282 17.7314 17.7328 k = 0.2627 0.1517-0.0000 ( 1347 PWs) bands (ev): -7.1040 -7.1037 -5.3150 -5.3119 2.3059 2.3101 3.7152 3.7175 4.7694 4.7710 5.7632 5.7632 6.9067 6.9107 6.9615 6.9619 13.8282 13.8333 15.0280 15.0285 15.5848 15.5872 17.7927 17.7939 k = 0.2712 0.1566-0.0000 ( 1347 PWs) bands (ev): -7.0536 -7.0533 -5.2965 -5.2933 2.3694 2.3737 3.5995 3.6018 4.6744 4.6759 5.7325 5.7325 6.8675 6.8715 6.9469 6.9472 13.8503 13.8556 14.9262 14.9269 15.5563 15.5586 17.8474 17.8484 k = 0.2797 0.1615-0.0000 ( 1355 PWs) bands (ev): -7.0024 -7.0021 -5.2784 -5.2753 2.4343 2.4387 3.4858 3.4881 4.5807 4.5821 5.7025 5.7025 6.8263 6.8303 6.9322 6.9324 13.8634 13.8690 14.8219 14.8227 15.5384 15.5407 17.8930 17.8939 k = 0.2881 0.1664-0.0000 ( 1351 PWs) bands (ev): -6.9505 -6.9502 -5.2611 -5.2579 2.5006 2.5051 3.3744 3.3767 4.4887 4.4901 5.6732 5.6732 6.7831 6.7872 6.9178 6.9180 13.8679 13.8737 14.7170 14.7180 15.5298 15.5320 17.9279 17.9288 k = 0.2966 0.1712-0.0000 ( 1351 PWs) bands (ev): -6.8979 -6.8976 -5.2445 -5.2413 2.5682 2.5728 3.2656 3.2678 4.3984 4.3998 5.6445 5.6445 6.7381 6.7422 6.9034 6.9036 13.8643 13.8702 14.6129 14.6141 15.5291 15.5313 17.9517 17.9527 k = 0.3051 0.1761-0.0000 ( 1349 PWs) bands (ev): -6.8448 -6.8444 -5.2289 -5.2256 2.6369 2.6416 3.1595 3.1616 4.3101 4.3115 5.6167 5.6167 6.6913 6.6954 6.8893 6.8894 13.8535 13.8595 14.5106 14.5119 15.5351 15.5372 17.9652 17.9661 k = 0.3136 0.1810-0.0000 ( 1349 PWs) bands (ev): -6.7913 -6.7909 -5.2142 -5.2109 2.7066 2.7115 3.0563 3.0584 4.2239 4.2252 5.5898 5.5898 6.6426 6.6467 6.8753 6.8754 13.8365 13.8425 14.4107 14.4121 15.5464 15.5484 17.9697 17.9707 k = 0.3220 0.1859-0.0000 ( 1349 PWs) bands (ev): -6.7375 -6.7370 -5.2006 -5.1973 2.7772 2.7821 2.9564 2.9585 4.1400 4.1412 5.5637 5.5637 6.5921 6.5964 6.8616 6.8617 13.8143 13.8202 14.3137 14.3152 15.5619 15.5638 17.9675 17.9685 k = 0.3305 0.1908-0.0000 ( 1340 PWs) bands (ev): -6.6835 -6.6829 -5.1882 -5.1849 2.8446 2.8486 2.8639 2.8669 4.0586 4.0596 5.5386 5.5386 6.5401 6.5444 6.8483 6.8484 13.7879 13.7938 14.2201 14.2217 15.5805 15.5823 17.9606 17.9616 k = 0.3390 0.1957-0.0000 ( 1340 PWs) bands (ev): -6.6294 -6.6288 -5.1771 -5.1739 2.7655 2.7674 2.9219 2.9271 3.9797 3.9806 5.5145 5.5145 6.4864 6.4907 6.8353 6.8354 13.7584 13.7642 14.1301 14.1318 15.6011 15.6027 17.9507 17.9517 k = 0.3475 0.2006-0.0000 ( 1340 PWs) bands (ev): -6.5754 -6.5748 -5.1674 -5.1642 2.6762 2.6780 2.9944 2.9997 3.9037 3.9045 5.4913 5.4913 6.4312 6.4356 6.8227 6.8228 13.7268 13.7324 14.0440 14.0458 15.6227 15.6241 17.9393 17.9402 k = 0.3559 0.2055-0.0000 ( 1340 PWs) bands (ev): -6.5217 -6.5211 -5.1592 -5.1560 2.5905 2.5923 3.0674 3.0727 3.8307 3.8313 5.4692 5.4692 6.3747 6.3791 6.8105 6.8106 13.6937 13.6992 13.9620 13.9638 15.6446 15.6459 17.9275 17.9284 k = 0.3644 0.2104-0.0000 ( 1348 PWs) bands (ev): -6.4685 -6.4678 -5.1524 -5.1493 2.5087 2.5104 3.1403 3.1459 3.7609 3.7613 5.4482 5.4482 6.3170 6.3214 6.7989 6.7989 13.6600 13.6653 13.8842 13.8860 15.6662 15.6673 17.9160 17.9169 k = 0.3729 0.2153-0.0000 ( 1348 PWs) bands (ev): -6.4158 -6.4151 -5.1473 -5.1442 2.4312 2.4328 3.2129 3.2187 3.6948 3.6949 5.4284 5.4284 6.2584 6.2628 6.7877 6.7877 13.6262 13.6313 13.8108 13.8127 15.6870 15.6880 17.9056 17.9064 k = 0.3814 0.2202-0.0000 ( 1348 PWs) bands (ev): -6.3641 -6.3633 -5.1437 -5.1407 2.3580 2.3596 3.2843 3.2905 3.6325 3.6329 5.4096 5.4096 6.1991 6.2034 6.7771 6.7771 13.5928 13.5978 13.7418 13.7438 15.7066 15.7075 17.8965 17.8972 k = 0.3898 0.2251-0.0000 ( 1352 PWs) bands (ev): -6.3133 -6.3126 -5.1418 -5.1388 2.2893 2.2908 3.3530 3.3599 3.5755 3.5768 5.3921 5.3921 6.1394 6.1436 6.7671 6.7671 13.5602 13.5651 13.6775 13.6795 15.7247 15.7254 17.8889 17.8895 k = 0.3983 0.2300-0.0000 ( 1352 PWs) bands (ev): -6.2639 -6.2631 -5.1414 -5.1386 2.2252 2.2266 3.4118 3.4204 3.5303 3.5333 5.3757 5.3757 6.0795 6.0838 6.7577 6.7577 13.5288 13.5336 13.6179 13.6200 15.7412 15.7419 17.8828 17.8834 k = 0.4068 0.2349-0.0000 ( 1350 PWs) bands (ev): -6.2161 -6.2153 -5.1425 -5.1398 2.1658 2.1671 3.4269 3.4338 3.5345 3.5361 5.3606 5.3606 6.0201 6.0242 6.7489 6.7490 13.4988 13.5035 13.5631 13.5654 15.7561 15.7566 17.8783 17.8788 k = 0.4153 0.2397-0.0000 ( 1356 PWs) bands (ev): -6.1701 -6.1693 -5.1450 -5.1424 2.1112 2.1124 3.3947 3.3985 3.5884 3.5898 5.3467 5.3468 5.9613 5.9653 6.7408 6.7409 13.4701 13.4749 13.5133 13.5159 15.7692 15.7696 17.8751 17.8755 k = 0.4237 0.2446-0.0000 ( 1348 PWs) bands (ev): -6.1264 -6.1256 -5.1487 -5.1463 2.0616 2.0627 3.3550 3.3575 3.6501 3.6524 5.3342 5.3342 5.9040 5.9079 6.7336 6.7336 13.4422 13.4471 13.4697 13.4725 15.7806 15.7810 17.8732 17.8735 k = 0.4322 0.2495-0.0000 ( 1348 PWs) bands (ev): -6.0853 -6.0845 -5.1535 -5.1513 2.0170 2.0179 3.3169 3.3188 3.7114 3.7141 5.3228 5.3228 5.8487 5.8524 6.7269 6.7269 13.4134 13.4172 13.4351 13.4371 15.7905 15.7907 17.8722 17.8725 k = 0.4407 0.2544-0.0000 ( 1344 PWs) bands (ev): -6.0473 -6.0465 -5.1591 -5.1571 1.9774 1.9783 3.2822 3.2837 3.7699 3.7726 5.3128 5.3128 5.7963 5.7997 6.7211 6.7211 13.3829 13.3849 13.4102 13.4106 15.7988 15.7990 17.8721 17.8723 k = 0.4492 0.2593-0.0000 ( 1344 PWs) bands (ev): -6.0127 -6.0120 -5.1652 -5.1634 1.9430 1.9438 3.2516 3.2528 3.8243 3.8269 5.3041 5.3041 5.7476 5.7508 6.7159 6.7159 13.3538 13.3547 13.3901 13.3905 15.8057 15.8059 17.8725 17.8726 k = 0.4576 0.2642-0.0000 ( 1348 PWs) bands (ev): -5.9822 -5.9815 -5.1714 -5.1698 1.9139 1.9145 3.2254 3.2263 3.8733 3.8756 5.2967 5.2967 5.7037 5.7064 6.7115 6.7115 13.3283 13.3287 13.3734 13.3741 15.8113 15.8114 17.8732 17.8733 k = 0.4661 0.2691-0.0000 ( 1348 PWs) bands (ev): -5.9562 -5.9556 -5.1772 -5.1759 1.8899 1.8904 3.2037 3.2045 3.9157 3.9177 5.2906 5.2906 5.6655 5.6679 6.7079 6.7079 13.3071 13.3073 13.3601 13.3607 15.8157 15.8158 17.8741 17.8742 k = 0.4746 0.2740-0.0000 ( 1348 PWs) bands (ev): -5.9352 -5.9348 -5.1824 -5.1813 1.8713 1.8717 3.1868 3.1874 3.9503 3.9520 5.2859 5.2859 5.6344 5.6362 6.7051 6.7051 13.2905 13.2906 13.3497 13.3503 15.8190 15.8191 17.8750 17.8751 k = 0.4831 0.2789-0.0000 ( 1348 PWs) bands (ev): -5.9198 -5.9195 -5.1863 -5.1856 1.8580 1.8583 3.1747 3.1751 3.9762 3.9773 5.2825 5.2825 5.6112 5.6125 6.7030 6.7030 13.2785 13.2786 13.3424 13.3427 15.8213 15.8214 17.8758 17.8758 k = 0.4915 0.2838-0.0000 ( 1348 PWs) bands (ev): -5.9103 -5.9102 -5.1888 -5.1884 1.8501 1.8502 3.1675 3.1677 3.9922 3.9928 5.2804 5.2804 5.5971 5.5977 6.7018 6.7018 13.2714 13.2714 13.3380 13.3382 15.8227 15.8227 17.8763 17.8763 k = 0.5000 0.2887-0.0000 ( 1344 PWs) bands (ev): -5.9071 -5.9071 -5.1895 -5.1895 1.8475 1.8475 3.1652 3.1652 3.9979 3.9979 5.2798 5.2798 5.5925 5.5925 6.7014 6.7014 13.2690 13.2690 13.3366 13.3366 15.8232 15.8232 17.8765 17.8765 k = 0.5000 0.2887-0.0000 ( 1344 PWs) bands (ev): -5.9071 -5.9071 -5.1895 -5.1895 1.8475 1.8475 3.1652 3.1652 3.9979 3.9979 5.2798 5.2798 5.5925 5.5925 6.7014 6.7014 13.2690 13.2690 13.3366 13.3366 15.8232 15.8232 17.8765 17.8765 k = 0.4951 0.2972-0.0000 ( 1344 PWs) bands (ev): -5.9065 -5.9065 -5.1895 -5.1894 1.8483 1.8485 3.1660 3.1660 3.9987 3.9989 5.2753 5.2757 5.5923 5.5923 6.6976 6.6976 13.2682 13.2685 13.3424 13.3426 15.8256 15.8257 17.8757 17.8757 k = 0.4902 0.3057-0.0000 ( 1348 PWs) bands (ev): -5.9047 -5.9046 -5.1893 -5.1891 1.8511 1.8514 3.1683 3.1684 4.0014 4.0017 5.2625 5.2632 5.5917 5.5917 6.6864 6.6864 13.2662 13.2668 13.3598 13.3604 15.8329 15.8332 17.8732 17.8733 k = 0.4853 0.3141-0.0000 ( 1356 PWs) bands (ev): -5.9016 -5.9015 -5.1889 -5.1887 1.8557 1.8562 3.1722 3.1724 4.0059 4.0063 5.2414 5.2424 5.5906 5.5906 6.6679 6.6679 13.2627 13.2635 13.3888 13.3897 15.8451 15.8456 17.8691 17.8692 k = 0.4804 0.3226-0.0000 ( 1356 PWs) bands (ev): -5.8974 -5.8972 -5.1884 -5.1881 1.8622 1.8628 3.1778 3.1780 4.0122 4.0128 5.2123 5.2137 5.5891 5.5891 6.6423 6.6423 13.2576 13.2587 13.4291 13.4301 15.8624 15.8630 17.8633 17.8635 k = 0.4755 0.3311-0.0000 ( 1352 PWs) bands (ev): -5.8919 -5.8917 -5.1877 -5.1874 1.8706 1.8713 3.1849 3.1852 4.0204 4.0212 5.1756 5.1773 5.5871 5.5872 6.6100 6.6100 13.2507 13.2521 13.4801 13.4814 15.8846 15.8854 17.8561 17.8563 k = 0.4706 0.3396-0.0000 ( 1352 PWs) bands (ev): -5.8852 -5.8850 -5.1870 -5.1865 1.8808 1.8817 3.1935 3.1939 4.0304 4.0313 5.1317 5.1338 5.5846 5.5847 6.5710 6.5710 13.2417 13.2432 13.5414 13.5429 15.9118 15.9127 17.8472 17.8474 k = 0.4657 0.3481-0.0000 ( 1356 PWs) bands (ev): -5.8774 -5.8771 -5.1861 -5.1856 1.8927 1.8938 3.2037 3.2042 4.0423 4.0433 5.0812 5.0836 5.5815 5.5816 6.5258 6.5259 13.2303 13.2320 13.6123 13.6140 15.9439 15.9449 17.8367 17.8369 k = 0.4608 0.3566-0.0000 ( 1360 PWs) bands (ev): -5.8683 -5.8681 -5.1853 -5.1847 1.9065 1.9078 3.2154 3.2159 4.0559 4.0570 5.0246 5.0272 5.5778 5.5779 6.4749 6.4750 13.2162 13.2181 13.6921 13.6940 15.9808 15.9818 17.8246 17.8250 k = 0.4559 0.3651-0.0000 ( 1358 PWs) bands (ev): -5.8582 -5.8579 -5.1844 -5.1837 1.9221 1.9234 3.2285 3.2291 4.0713 4.0726 4.9626 4.9655 5.5733 5.5735 6.4186 6.4189 13.1993 13.2013 13.7801 13.7822 16.0223 16.0234 17.8111 17.8115 k = 0.4510 0.3736-0.0000 ( 1358 PWs) bands (ev): -5.8469 -5.8466 -5.1835 -5.1828 1.9393 1.9408 3.2430 3.2437 4.0884 4.0899 4.8959 4.8990 5.5681 5.5684 6.3576 6.3579 13.1793 13.1814 13.8754 13.8777 16.0681 16.0692 17.7961 17.7965 k = 0.4461 0.3821-0.0000 ( 1360 PWs) bands (ev): -5.8346 -5.8342 -5.1828 -5.1820 1.9582 1.9598 3.2589 3.2596 4.1074 4.1089 4.8249 4.8282 5.5619 5.5623 6.2922 6.2927 13.1563 13.1585 13.9772 13.9796 16.1180 16.1191 17.7797 17.7802 k = 0.4412 0.3906-0.0000 ( 1360 PWs) bands (ev): -5.8211 -5.8207 -5.1822 -5.1813 1.9786 1.9805 3.2760 3.2768 4.1280 4.1297 4.7505 4.7541 5.5548 5.5553 6.2231 6.2237 13.1303 13.1324 14.0845 14.0870 16.1714 16.1725 17.7619 17.7624 k = 0.4363 0.3991-0.0000 ( 1356 PWs) bands (ev): -5.8067 -5.8062 -5.1817 -5.1808 2.0007 2.0026 3.2944 3.2952 4.1503 4.1521 4.6734 4.6771 5.5465 5.5472 6.1508 6.1517 13.1013 13.1034 14.1965 14.1990 16.2279 16.2289 17.7428 17.7435 k = 0.4314 0.4075-0.0000 ( 1360 PWs) bands (ev): -5.7912 -5.7907 -5.1815 -5.1806 2.0241 2.0262 3.3139 3.3148 4.1743 4.1762 4.5942 4.5981 5.5369 5.5379 6.0756 6.0768 13.0695 13.0716 14.3121 14.3147 16.2868 16.2878 17.7225 17.7232 k = 0.4265 0.4160-0.0000 ( 1356 PWs) bands (ev): -5.7748 -5.7742 -5.1817 -5.1806 2.0489 2.0511 3.3345 3.3354 4.1997 4.2017 4.5138 4.5179 5.5259 5.5271 5.9984 6.0000 13.0352 13.0373 14.4303 14.4330 16.3476 16.3484 17.7011 17.7019 k = 0.4216 0.4245-0.0000 ( 1352 PWs) bands (ev): -5.7575 -5.7569 -5.1822 -5.1811 2.0750 2.0773 3.3559 3.3569 4.2263 4.2283 4.4331 4.4374 5.5133 5.5149 5.9198 5.9218 12.9988 13.0008 14.5502 14.5529 16.4095 16.4102 17.6788 17.6796 k = 0.4167 0.4330-0.0000 ( 1352 PWs) bands (ev): -5.7393 -5.7386 -5.1832 -5.1821 2.1022 2.1046 3.3781 3.3791 4.2520 4.2539 4.3546 4.3594 5.4986 5.5008 5.8403 5.8430 12.9606 12.9625 14.6708 14.6734 16.4719 16.4725 17.6555 17.6565 k = 0.4118 0.4415-0.0000 ( 1356 PWs) bands (ev): -5.7202 -5.7195 -5.1848 -5.1836 2.1303 2.1328 3.4009 3.4020 4.2501 4.2525 4.3059 4.3103 5.4814 5.4845 5.7608 5.7644 12.9211 12.9228 14.7909 14.7935 16.5342 16.5346 17.6314 17.6325 k = 0.4069 0.4500-0.0000 ( 1356 PWs) bands (ev): -5.7004 -5.6997 -5.1870 -5.1857 2.1593 2.1618 3.4241 3.4253 4.1814 4.1851 4.3267 4.3300 5.4611 5.4655 5.6823 5.6873 12.8807 12.8823 14.9094 14.9119 16.5957 16.5960 17.6068 17.6080 k = 0.4020 0.4585-0.0000 ( 1356 PWs) bands (ev): -5.6799 -5.6791 -5.1899 -5.1885 2.1888 2.1914 3.4476 3.4487 4.1047 4.1087 4.3588 4.3620 5.4363 5.4425 5.6064 5.6134 12.8399 12.8413 15.0254 15.0278 16.6559 16.6560 17.5817 17.5831 k = 0.3971 0.4670-0.0000 ( 1352 PWs) bands (ev): -5.6587 -5.6579 -5.1935 -5.1922 2.2186 2.2214 3.4710 3.4722 4.0292 4.0333 4.3937 4.3969 5.4046 5.4133 5.5360 5.5457 12.7992 12.8005 15.1376 15.1399 16.7142 16.7144 17.5565 17.5579 k = 0.3922 0.4755-0.0000 ( 1352 PWs) bands (ev): -5.6369 -5.6360 -5.1981 -5.1967 2.2485 2.2513 3.4940 3.4952 3.9565 3.9606 4.4304 4.4337 5.3626 5.3732 5.4761 5.4879 12.7591 12.7603 15.2450 15.2472 16.7703 16.7707 17.5311 17.5327 k = 0.3873 0.4840-0.0000 ( 1352 PWs) bands (ev): -5.6146 -5.6136 -5.2037 -5.2022 2.2781 2.2809 3.5164 3.5175 3.8873 3.8914 4.4688 4.4722 5.3094 5.3198 5.4298 5.4414 12.7200 12.7211 15.3467 15.3486 16.8240 16.8246 17.5058 17.5075 k = 0.3824 0.4924-0.0000 ( 1360 PWs) bands (ev): -5.5918 -5.5908 -5.2103 -5.2088 2.3070 2.3097 3.5376 3.5387 3.8225 3.8265 4.5087 4.5121 5.2494 5.2581 5.3924 5.4027 12.6826 12.6835 15.4413 15.4431 16.8751 16.8759 17.4807 17.4826 k = 0.3775 0.5009-0.0000 ( 1360 PWs) bands (ev): -5.5686 -5.5675 -5.2181 -5.2166 2.3348 2.3374 3.5572 3.5584 3.7631 3.7670 4.5500 4.5536 5.1876 5.1949 5.3581 5.3670 12.6471 12.6479 15.5283 15.5299 16.9235 16.9245 17.4561 17.4582 k = 0.3725 0.5094-0.0000 ( 1360 PWs) bands (ev): -5.5451 -5.5440 -5.2272 -5.2256 2.3609 2.3635 3.5747 3.5758 3.7096 3.7134 4.5928 4.5964 5.1276 5.1337 5.3240 5.3319 12.6140 12.6147 15.6068 15.6081 16.9692 16.9705 17.4320 17.4342 k = 0.3676 0.5179-0.0000 ( 1364 PWs) bands (ev): -5.5213 -5.5201 -5.2376 -5.2360 2.3849 2.3873 3.5895 3.5905 3.6630 3.6666 4.6368 4.6406 5.0715 5.0765 5.2885 5.2957 12.5837 12.5843 15.6760 15.6771 17.0122 17.0138 17.4085 17.4108 k = 0.3627 0.5264-0.0000 ( 1364 PWs) bands (ev): -5.4974 -5.4961 -5.2495 -5.2479 2.4063 2.4084 3.6009 3.6017 3.6242 3.6276 4.6822 4.6861 5.0207 5.0249 5.2513 5.2579 12.5566 12.5571 15.7355 15.7364 17.0526 17.0544 17.3854 17.3879 k = 0.3578 0.5349-0.0000 ( 1368 PWs) bands (ev): -5.4734 -5.4720 -5.2628 -5.2612 2.4244 2.4263 3.5930 3.5953 3.6091 3.6105 4.7288 4.7328 4.9762 4.9798 5.2119 5.2181 12.5330 12.5334 15.7851 15.7858 17.0905 17.0926 17.3627 17.3654 k = 0.3529 0.5434-0.0000 ( 1364 PWs) bands (ev): -5.4494 -5.4479 -5.2778 -5.2762 2.4391 2.4407 3.5715 3.5737 3.6121 3.6131 4.7767 4.7807 4.9393 4.9422 5.1701 5.1760 12.5132 12.5135 15.8248 15.8253 17.1261 17.1284 17.3403 17.3431 k = 0.3480 0.5519-0.0000 ( 1362 PWs) bands (ev): -5.4254 -5.4239 -5.2944 -5.2928 2.4501 2.4513 3.5589 3.5607 3.6105 3.6113 4.8255 4.8296 4.9105 4.9128 5.1259 5.1316 12.4974 12.4976 15.8547 15.8550 17.1593 17.1618 17.3178 17.3206 k = 0.3431 0.5604-0.0000 ( 1362 PWs) bands (ev): -5.4017 -5.4001 -5.3128 -5.3111 2.4575 2.4583 3.5556 3.5569 3.6040 3.6046 4.8746 4.8782 4.8915 4.8925 5.0793 5.0847 12.4860 12.4861 15.8753 15.8755 17.1902 17.1930 17.2949 17.2977 k = 0.3382 0.5689-0.0000 ( 1362 PWs) bands (ev): -5.3783 -5.3765 -5.3329 -5.3313 2.4615 2.4619 3.5613 3.5622 3.5926 3.5931 4.8775 4.8784 4.9272 4.9315 5.0303 5.0353 12.4790 12.4790 15.8872 15.8872 17.2188 17.2220 17.2713 17.2740 k = 0.3333 0.5774-0.0000 ( 1362 PWs) bands (ev): -5.3574 -5.3540 -5.3527 -5.3527 2.4629 2.4629 3.5729 3.5736 3.5794 3.5794 4.8742 4.8742 4.9757 4.9825 4.9825 4.9844 12.4766 12.4766 15.8910 15.8910 17.2414 17.2476 17.2503 17.2503 k = 0.3333 0.5774-0.0000 ( 1362 PWs) bands (ev): -5.3574 -5.3540 -5.3527 -5.3527 2.4629 2.4629 3.5729 3.5736 3.5794 3.5794 4.8742 4.8742 4.9757 4.9825 4.9825 4.9844 12.4766 12.4766 15.8910 15.8910 17.2414 17.2476 17.2503 17.2503 k = 0.3284 0.5689-0.0000 ( 1362 PWs) bands (ev): -5.3790 -5.3773 -5.3322 -5.3306 2.4618 2.4622 3.5556 3.5560 3.5986 3.5989 4.8759 4.8785 4.9274 4.9296 5.0321 5.0364 12.4790 12.4791 15.8875 15.8875 17.2188 17.2223 17.2709 17.2739 k = 0.3235 0.5604-0.0000 ( 1362 PWs) bands (ev): -5.4048 -5.4031 -5.3102 -5.3084 2.4596 2.4603 3.5322 3.5324 3.6278 3.6284 4.8588 4.8694 4.8941 4.8997 5.0859 5.0903 12.4863 12.4864 15.8775 15.8776 17.1905 17.1938 17.2933 17.2967 k = 0.3186 0.5519-0.0000 ( 1362 PWs) bands (ev): -5.4325 -5.4309 -5.2887 -5.2868 2.4572 2.4582 3.5061 3.5063 3.6634 3.6645 4.8043 4.8120 4.9114 4.9138 5.1404 5.1449 12.4985 12.4986 15.8620 15.8620 17.1598 17.1630 17.3138 17.3175 k = 0.3137 0.5434-0.0000 ( 1362 PWs) bands (ev): -5.4623 -5.4606 -5.2680 -5.2660 2.4553 2.4565 3.4784 3.4785 3.7047 3.7061 4.7439 4.7508 4.9363 4.9378 5.1957 5.2003 12.5157 12.5159 15.8415 15.8416 17.1267 17.1298 17.3324 17.3363 k = 0.3088 0.5349-0.0000 ( 1362 PWs) bands (ev): -5.4939 -5.4923 -5.2481 -5.2460 2.4547 2.4561 3.4499 3.4500 3.7509 3.7527 4.6807 4.6872 4.9667 4.9676 5.2517 5.2563 12.5379 12.5381 15.8170 15.8171 17.0911 17.0942 17.3491 17.3531 k = 0.3039 0.5264-0.0000 ( 1358 PWs) bands (ev): -5.5275 -5.5259 -5.2291 -5.2269 2.4560 2.4576 3.4213 3.4214 3.8015 3.8035 4.6153 4.6216 5.0018 5.0024 5.3082 5.3129 12.5650 12.5653 15.7889 15.7891 17.0531 17.0561 17.3638 17.3680 k = 0.2990 0.5179-0.0000 ( 1366 PWs) bands (ev): -5.5630 -5.5615 -5.2111 -5.2089 2.4597 2.4615 3.3935 3.3936 3.8556 3.8579 4.5478 4.5540 5.0408 5.0411 5.3652 5.3699 12.5972 12.5976 15.7579 15.7582 17.0124 17.0153 17.3765 17.3809 k = 0.2941 0.5094-0.0000 ( 1370 PWs) bands (ev): -5.6004 -5.5989 -5.1943 -5.1919 2.4664 2.4683 3.3669 3.3671 3.9129 3.9154 4.4785 4.4846 5.0832 5.0833 5.4227 5.4275 12.6343 12.6347 15.7245 15.7250 16.9693 16.9722 17.3873 17.3918 k = 0.2892 0.5009-0.0000 ( 1370 PWs) bands (ev): -5.6397 -5.6382 -5.1786 -5.1762 2.4764 2.4783 3.3423 3.3425 3.9730 3.9757 4.4076 4.4136 5.1286 5.1286 5.4806 5.4853 12.6763 12.6767 15.6893 15.6899 16.9240 16.9267 17.3962 17.4008 k = 0.2843 0.4924-0.0000 ( 1370 PWs) bands (ev): -5.6807 -5.6792 -5.1641 -5.1616 2.4899 2.4918 3.3200 3.3204 4.0355 4.0383 4.3351 4.3411 5.1763 5.1765 5.5387 5.5435 12.7230 12.7235 15.6525 15.6533 16.8766 16.8792 17.4031 17.4078 k = 0.2794 0.4840-0.0000 ( 1370 PWs) bands (ev): -5.7234 -5.7220 -5.1510 -5.1484 2.5072 2.5091 3.3006 3.3010 4.0999 4.1029 4.2612 4.2672 5.2263 5.2266 5.5970 5.6018 12.7745 12.7750 15.6145 15.6155 16.8272 16.8297 17.4081 17.4129 k = 0.2745 0.4755-0.0000 ( 1370 PWs) bands (ev): -5.7677 -5.7664 -5.1393 -5.1366 2.5284 2.5304 3.2843 3.2848 4.1660 4.1691 4.1863 4.1921 5.2780 5.2784 5.6555 5.6603 12.8306 12.8311 15.5757 15.5769 16.7762 16.7786 17.4112 17.4161 k = 0.2696 0.4670-0.0000 ( 1366 PWs) bands (ev): -5.8136 -5.8123 -5.1290 -5.1263 2.5537 2.5556 3.2714 3.2720 4.1100 4.1158 4.2339 4.2370 5.3312 5.3317 5.7140 5.7188 12.8912 12.8918 15.5362 15.5376 16.7238 16.7261 17.4124 17.4174 k = 0.2647 0.4585-0.0000 ( 1362 PWs) bands (ev): -5.8609 -5.8597 -5.1202 -5.1174 2.5830 2.5850 3.2622 3.2629 4.0330 4.0388 4.3028 4.3060 5.3858 5.3863 5.7725 5.7773 12.9562 12.9568 15.4961 15.4978 16.6704 16.6726 17.4116 17.4166 k = 0.2598 0.4500-0.0000 ( 1362 PWs) bands (ev): -5.9096 -5.9084 -5.1129 -5.1101 2.6166 2.6185 3.2568 3.2577 3.9553 3.9610 4.3728 4.3760 5.4413 5.4419 5.8308 5.8356 13.0254 13.0261 15.4557 15.4575 16.6163 16.6183 17.4088 17.4139 k = 0.2549 0.4415-0.0000 ( 1364 PWs) bands (ev): -5.9596 -5.9584 -5.1072 -5.1043 2.6543 2.6561 3.2555 3.2565 3.8769 3.8826 4.4436 4.4469 5.4977 5.4983 5.8888 5.8937 13.0988 13.0995 15.4148 15.4169 16.5618 16.5637 17.4039 17.4091 k = 0.2500 0.4330-0.0000 ( 1364 PWs) bands (ev): -6.0106 -6.0096 -5.1031 -5.1002 2.6961 2.6979 3.2584 3.2595 3.7982 3.8038 4.5150 4.5183 5.5546 5.5553 5.9466 5.9514 13.1763 13.1770 15.3737 15.3760 16.5075 16.5092 17.3969 17.4021 k = 0.2451 0.4245-0.0000 ( 1360 PWs) bands (ev): -6.0628 -6.0617 -5.1006 -5.0976 2.7421 2.7438 3.2656 3.2669 3.7192 3.7246 4.5870 4.5903 5.6121 5.6127 6.0041 6.0088 13.2576 13.2583 15.3320 15.3346 16.4537 16.4552 17.3877 17.3929 k = 0.2402 0.4160-0.0000 ( 1360 PWs) bands (ev): -6.1158 -6.1148 -5.0997 -5.0966 2.7921 2.7938 3.2770 3.2785 3.6400 3.6454 4.6592 4.6626 5.6698 5.6704 6.0610 6.0657 13.3427 13.3434 15.2899 15.2927 16.4009 16.4023 17.3760 17.3812 k = 0.2353 0.4075-0.0000 ( 1360 PWs) bands (ev): -6.1696 -6.1687 -5.1004 -5.0973 2.8462 2.8478 3.2928 3.2944 3.5610 3.5662 4.7316 4.7350 5.7276 5.7283 6.1174 6.1221 13.4314 13.4322 15.2469 15.2500 16.3498 16.3510 17.3618 17.3670 k = 0.2304 0.3991-0.0000 ( 1360 PWs) bands (ev): -6.2242 -6.2233 -5.1027 -5.0995 2.9042 2.9057 3.3126 3.3146 3.4825 3.4874 4.8041 4.8074 5.7854 5.7861 6.1732 6.1778 13.5235 13.5244 15.2030 15.2064 16.3008 16.3019 17.3447 17.3500 k = 0.2255 0.3906-0.0000 ( 1360 PWs) bands (ev): -6.2792 -6.2784 -5.1065 -5.1033 2.9660 2.9675 3.3344 3.3375 3.4066 3.4105 4.8764 4.8797 5.8431 5.8438 6.2282 6.2328 13.6190 13.6199 15.1579 15.1614 16.2546 16.2556 17.3246 17.3299 k = 0.2206 0.3821-0.0000 ( 1360 PWs) bands (ev): -6.3348 -6.3340 -5.1119 -5.1086 3.0316 3.0330 3.3161 3.3227 3.3757 3.3761 4.9485 4.9517 5.9005 5.9012 6.2825 6.2870 13.7177 13.7186 15.1111 15.1149 16.2118 16.2127 17.3013 17.3066 k = 0.2157 0.3736-0.0000 ( 1352 PWs) bands (ev): -6.3907 -6.3899 -5.1187 -5.1154 3.1009 3.1022 3.2422 3.2481 3.4053 3.4065 5.0201 5.0233 5.9576 5.9582 6.3359 6.3404 13.8194 13.8204 15.0624 15.0664 16.1730 16.1739 17.2745 17.2798 k = 0.2108 0.3651-0.0000 ( 1358 PWs) bands (ev): -6.4468 -6.4461 -5.1269 -5.1236 3.1649 3.1710 3.1742 3.1749 3.4427 3.4442 5.0913 5.0944 6.0140 6.0146 6.3883 6.3927 13.9240 13.9250 15.0113 15.0154 16.1389 16.1397 17.2439 17.2492 k = 0.2059 0.3566-0.0000 ( 1358 PWs) bands (ev): -6.5030 -6.5023 -5.1366 -5.1332 3.0887 3.0941 3.2499 3.2510 3.4850 3.4867 5.1618 5.1648 6.0699 6.0705 6.4397 6.4441 14.0313 14.0324 14.9577 14.9620 16.1099 16.1107 17.2094 17.2147 k = 0.2010 0.3481-0.0000 ( 1352 PWs) bands (ev): -6.5592 -6.5586 -5.1475 -5.1441 3.0126 3.0179 3.3294 3.3304 3.5317 3.5336 5.2315 5.2345 6.1251 6.1257 6.4901 6.4944 14.1412 14.1423 14.9014 14.9057 16.0866 16.0874 17.1708 17.1761 k = 0.1961 0.3396-0.0000 ( 1352 PWs) bands (ev): -6.6153 -6.6147 -5.1596 -5.1563 2.9373 2.9425 3.4121 3.4131 3.5827 3.5847 5.3003 5.3032 6.1795 6.1800 6.5393 6.5435 14.2535 14.2547 14.8419 14.8463 16.0693 16.0702 17.1281 17.1334 k = 0.1912 0.3311-0.0000 ( 1352 PWs) bands (ev): -6.6712 -6.6706 -5.1729 -5.1696 2.8629 2.8680 3.4979 3.4987 3.6378 3.6398 5.3681 5.3709 6.2329 6.2334 6.5872 6.5914 14.3681 14.3692 14.7794 14.7837 16.0583 16.0593 17.0812 17.0864 k = 0.1863 0.3226-0.0000 ( 1350 PWs) bands (ev): -6.7267 -6.7263 -5.1873 -5.1839 2.7896 2.7946 3.5866 3.5873 3.6968 3.6989 5.4348 5.4375 6.2853 6.2858 6.6339 6.6380 14.4846 14.4859 14.7137 14.7180 16.0539 16.0551 17.0303 17.0354 k = 0.1814 0.3141-0.0000 ( 1348 PWs) bands (ev): -6.7819 -6.7815 -5.2026 -5.1993 2.7173 2.7222 3.6780 3.6787 3.7597 3.7619 5.5002 5.5029 6.3367 6.3371 6.6793 6.6834 14.6030 14.6042 14.6450 14.6492 16.0562 16.0575 16.9754 16.9804 k = 0.1765 0.3057-0.0000 ( 1348 PWs) bands (ev): -6.8366 -6.8362 -5.2189 -5.2156 2.6462 2.6510 3.7721 3.7728 3.8262 3.8285 5.5644 5.5670 6.3869 6.3873 6.7234 6.7273 14.5731 14.5773 14.7231 14.7244 16.0651 16.0666 16.9167 16.9217 k = 0.1716 0.2972-0.0000 ( 1352 PWs) bands (ev): -6.8907 -6.8903 -5.2359 -5.2326 2.5764 2.5811 3.8686 3.8692 3.8963 3.8986 5.6272 5.6297 6.4359 6.4362 6.7660 6.7698 14.4985 14.5025 14.8445 14.8458 16.0807 16.0824 16.8546 16.8595 k = 0.1667 0.2887-0.0000 ( 1344 PWs) bands (ev): -6.9441 -6.9437 -5.2537 -5.2504 2.5079 2.5125 3.9665 3.9680 3.9708 3.9722 5.6886 5.6910 6.4836 6.4839 6.8072 6.8110 14.4212 14.4251 14.9670 14.9684 16.1028 16.1048 16.7895 16.7942 k = 0.1618 0.2802-0.0000 ( 1346 PWs) bands (ev): -6.9967 -6.9964 -5.2721 -5.2689 2.4408 2.4453 4.0459 4.0486 4.0691 4.0693 5.7484 5.7507 6.5299 6.5302 6.8469 6.8506 14.3414 14.3452 15.0903 15.0917 16.1315 16.1338 16.7216 16.7262 k = 0.1569 0.2717-0.0000 ( 1346 PWs) bands (ev): -7.0485 -7.0482 -5.2910 -5.2878 2.3752 2.3795 4.1256 4.1282 4.1723 4.1725 5.8065 5.8088 6.5748 6.5751 6.8852 6.8888 14.2593 14.2629 15.2139 15.2152 16.1666 16.1691 16.6516 16.6561 k = 0.1520 0.2632-0.0000 ( 1346 PWs) bands (ev): -7.0994 -7.0991 -5.3104 -5.3073 2.3111 2.3153 4.2080 4.2107 4.2773 4.2775 5.8631 5.8652 6.6183 6.6185 6.9219 6.9254 14.1751 14.1785 15.3372 15.3384 16.2078 16.2106 16.5801 16.5844 k = 0.1471 0.2547-0.0000 ( 1344 PWs) bands (ev): -7.1493 -7.1491 -5.3301 -5.3270 2.2485 2.2526 4.2930 4.2957 4.3841 4.3842 5.9180 5.9200 6.6602 6.6604 6.9571 6.9606 14.0890 14.0922 15.4591 15.4603 16.2552 16.2583 16.5082 16.5122 k = 0.1422 0.2462-0.0000 ( 1342 PWs) bands (ev): -7.1982 -7.1980 -5.3501 -5.3470 2.1876 2.1916 4.3804 4.3831 4.4924 4.4924 5.9712 5.9731 6.7006 6.7008 6.9908 6.9942 14.0011 14.0042 15.5782 15.5792 16.3085 16.3118 16.4376 16.4411 k = 0.1373 0.2377-0.0000 ( 1346 PWs) bands (ev): -7.2459 -7.2457 -5.3702 -5.3672 2.1284 2.1322 4.4699 4.4726 4.6019 4.6020 6.0226 6.0245 6.7395 6.7396 7.0230 7.0263 13.9117 13.9146 15.6911 15.6916 16.3672 16.3705 16.3719 16.3751 k = 0.1324 0.2292-0.0000 ( 1350 PWs) bands (ev): -7.2925 -7.2923 -5.3904 -5.3875 2.0709 2.0746 4.5614 4.5641 4.7125 4.7126 6.0723 6.0740 6.7768 6.7769 7.0537 7.0569 13.8208 13.8235 15.7904 15.7908 16.3173 16.3193 16.4323 16.4361 k = 0.1275 0.2208-0.0000 ( 1342 PWs) bands (ev): -7.3378 -7.3376 -5.4106 -5.4078 2.0151 2.0188 4.6547 4.6574 4.8240 4.8242 6.1203 6.1219 6.8124 6.8125 7.0829 7.0860 13.7288 13.7313 15.8598 15.8616 16.2908 16.2911 16.5024 16.5064 k = 0.1225 0.2123-0.0000 ( 1342 PWs) bands (ev): -7.3818 -7.3817 -5.4307 -5.4280 1.9612 1.9647 4.7493 4.7520 4.9361 4.9364 6.1665 6.1681 6.8464 6.8465 7.1106 7.1136 13.6356 13.6380 15.8786 15.8821 16.3114 16.3129 16.5778 16.5820 k = 0.1176 0.2038-0.0000 ( 1346 PWs) bands (ev): -7.4245 -7.4244 -5.4507 -5.4480 1.9091 1.9125 4.8452 4.8479 5.0485 5.0488 6.2111 6.2126 6.8788 6.8789 7.1368 7.1397 13.5416 13.5438 15.8473 15.8517 16.3807 16.3832 16.6581 16.6625 k = 0.1127 0.1953-0.0000 ( 1354 PWs) bands (ev): -7.4658 -7.4657 -5.4704 -5.4678 1.8589 1.8621 4.9419 4.9445 5.1610 5.1613 6.2541 6.2555 6.9095 6.9095 7.1615 7.1644 13.4468 13.4489 15.7867 15.7913 16.4779 16.4807 16.7432 16.7478 k = 0.1078 0.1868-0.0000 ( 1354 PWs) bands (ev): -7.5056 -7.5055 -5.4897 -5.4872 1.8106 1.8137 5.0392 5.0418 5.2731 5.2735 6.2956 6.2970 6.9385 6.9385 7.1849 7.1877 13.3515 13.3534 15.7120 15.7166 16.5873 16.5903 16.8328 16.8376 k = 0.1029 0.1783-0.0000 ( 1354 PWs) bands (ev): -7.5440 -7.5439 -5.5087 -5.5063 1.7642 1.7672 5.1368 5.1395 5.3845 5.3849 6.3359 6.3372 6.9658 6.9659 7.2069 7.2097 13.2559 13.2577 15.6303 15.6347 16.7017 16.7047 16.9267 16.9316 k = 0.0980 0.1698-0.0000 ( 1354 PWs) bands (ev): -7.5808 -7.5807 -5.5273 -5.5250 1.7199 1.7227 5.2344 5.2370 5.4947 5.4952 6.3750 6.3763 6.9915 6.9916 7.2276 7.2303 13.1602 13.1618 15.5448 15.5491 16.8177 16.8207 17.0245 17.0296 k = 0.0931 0.1613-0.0000 ( 1354 PWs) bands (ev): -7.6160 -7.6160 -5.5453 -5.5431 1.6775 1.6802 5.3317 5.3342 5.6032 5.6037 6.4132 6.4145 7.0155 7.0156 7.2469 7.2495 13.0646 13.0661 15.4572 15.4614 16.9334 16.9364 17.1259 17.1311 k = 0.0882 0.1528-0.0000 ( 1350 PWs) bands (ev): -7.6497 -7.6496 -5.5628 -5.5607 1.6372 1.6398 5.4283 5.4308 5.7094 5.7099 6.4510 6.4522 7.0379 7.0379 7.2650 7.2675 12.9694 12.9707 15.3688 15.3728 17.0477 17.0507 17.2306 17.2358 k = 0.0833 0.1443-0.0000 ( 1354 PWs) bands (ev): -7.6817 -7.6817 -5.5796 -5.5776 1.5989 1.6014 5.5237 5.5261 5.8125 5.8130 6.4885 6.4898 7.0586 7.0586 7.2817 7.2842 12.8749 12.8761 15.2802 15.2840 17.1596 17.1626 17.3380 17.3433 k = 0.0784 0.1358-0.0000 ( 1354 PWs) bands (ev): -7.7121 -7.7120 -5.5957 -5.5938 1.5627 1.5650 5.6177 5.6200 5.9114 5.9120 6.5265 6.5278 7.0776 7.0776 7.2973 7.2998 12.7814 12.7825 15.1921 15.1958 17.2687 17.2716 17.4477 17.4530 k = 0.0735 0.1274-0.0000 ( 1355 PWs) bands (ev): -7.7407 -7.7407 -5.6111 -5.6093 1.5286 1.5308 5.7098 5.7121 6.0053 6.0057 6.5657 6.5671 7.0949 7.0950 7.3116 7.3141 12.6892 12.6902 15.1052 15.1087 17.3742 17.3771 17.5593 17.5646 k = 0.0686 0.1189-0.0000 ( 1349 PWs) bands (ev): -7.7676 -7.7676 -5.6257 -5.6241 1.4966 1.4987 5.7996 5.8018 6.0927 6.0931 6.6070 6.6084 7.1107 7.1107 7.3249 7.3273 12.5989 12.5998 15.0200 15.0233 17.4755 17.4784 17.6720 17.6772 k = 0.0637 0.1104-0.0000 ( 1349 PWs) bands (ev): -7.7928 -7.7928 -5.6395 -5.6380 1.4668 1.4687 5.8866 5.8886 6.1723 6.1726 6.6512 6.6527 7.1248 7.1248 7.3371 7.3394 12.5109 12.5117 14.9371 14.9402 17.5722 17.5749 17.7852 17.7903 k = 0.0588 0.1019-0.0000 ( 1349 PWs) bands (ev): -7.8162 -7.8162 -5.6524 -5.6510 1.4391 1.4409 5.9703 5.9722 6.2428 6.2432 6.6990 6.7005 7.1373 7.1373 7.3482 7.3505 12.4256 12.4263 14.8571 14.8601 17.6637 17.6663 17.8981 17.9030 k = 0.0539 0.0934-0.0000 ( 1353 PWs) bands (ev): -7.8378 -7.8378 -5.6645 -5.6631 1.4136 1.4152 6.0501 6.0520 6.3037 6.3039 6.7505 6.7522 7.1481 7.1482 7.3583 7.3605 12.3435 12.3441 14.7805 14.7833 17.7495 17.7521 18.0098 18.0146 k = 0.0490 0.0849-0.0000 ( 1353 PWs) bands (ev): -7.8576 -7.8576 -5.6755 -5.6743 1.3902 1.3917 6.1259 6.1276 6.3548 6.3550 6.8054 6.8071 7.1575 7.1575 7.3673 7.3696 12.2654 12.2659 14.7081 14.7107 17.8293 17.8317 18.1193 18.1238 k = 0.0441 0.0764-0.0000 ( 1353 PWs) bands (ev): -7.8755 -7.8755 -5.6856 -5.6845 1.3691 1.3704 6.1969 6.1985 6.3969 6.3970 6.8621 6.8639 7.1653 7.1653 7.3754 7.3776 12.1916 12.1921 14.6403 14.6426 17.9025 17.9048 18.2254 18.2297 k = 0.0392 0.0679-0.0000 ( 1353 PWs) bands (ev): -7.8916 -7.8916 -5.6948 -5.6938 1.3502 1.3513 6.2625 6.2640 6.4311 6.4312 6.9189 6.9207 7.1717 7.1717 7.3825 7.3846 12.1231 12.1235 14.5777 14.5799 17.9690 17.9710 18.3269 18.3308 k = 0.0343 0.0594-0.0000 ( 1353 PWs) bands (ev): -7.9059 -7.9059 -5.7028 -5.7020 1.3334 1.3345 6.3223 6.3236 6.4587 6.4588 6.9739 6.9758 7.1767 7.1768 7.3887 7.3907 12.0604 12.0608 14.5210 14.5229 18.0282 18.0300 18.4224 18.4259 k = 0.0294 0.0509-0.0000 ( 1353 PWs) bands (ev): -7.9182 -7.9182 -5.7099 -5.7091 1.3189 1.3198 6.3756 6.3768 6.4809 6.4810 7.0253 7.0271 7.1806 7.1807 7.3939 7.3959 12.0043 12.0046 14.4706 14.4723 18.0800 18.0816 18.5101 18.5132 k = 0.0245 0.0425-0.0000 ( 1355 PWs) bands (ev): -7.9287 -7.9287 -5.7159 -5.7152 1.3067 1.3074 6.4219 6.4229 6.4985 6.4986 7.0714 7.0732 7.1834 7.1835 7.3983 7.4002 11.9554 11.9556 14.4271 14.4285 18.1242 18.1255 18.5884 18.5911 k = 0.0196 0.0340-0.0000 ( 1365 PWs) bands (ev): -7.9373 -7.9373 -5.7208 -5.7203 1.2966 1.2972 6.4605 6.4613 6.5123 6.5124 7.1108 7.1125 7.1852 7.1854 7.4019 7.4035 11.9143 11.9144 14.3908 14.3919 18.1605 18.1616 18.6556 18.6578 k = 0.0147 0.0255-0.0000 ( 1365 PWs) bands (ev): -7.9440 -7.9440 -5.7246 -5.7242 1.2888 1.2893 6.4908 6.4914 6.5231 6.5232 7.1425 7.1439 7.1867 7.1869 7.4046 7.4060 11.8817 11.8818 14.3622 14.3631 18.1889 18.1897 18.7097 18.7114 k = 0.0098 0.0170-0.0000 ( 1371 PWs) bands (ev): -7.9488 -7.9488 -5.7273 -5.7271 1.2833 1.2836 6.5117 6.5121 6.5318 6.5318 7.1650 7.1661 7.1883 7.1885 7.4066 7.4076 11.8580 11.8581 14.3416 14.3422 18.2093 18.2098 18.7485 18.7497 k = 0.0049 0.0085-0.0000 ( 1379 PWs) bands (ev): -7.9517 -7.9517 -5.7289 -5.7288 1.2799 1.2801 6.5227 6.5229 6.5385 6.5385 7.1770 7.1776 7.1912 7.1912 7.4079 7.4084 11.8436 11.8437 14.3292 14.3295 18.2215 18.2218 18.7689 18.7695 k = 0.0000 0.0000 0.0000 ( 1387 PWs) bands (ev): -7.9526 -7.9526 -5.7294 -5.7294 1.2789 1.2789 6.5258 6.5258 6.5413 6.5413 7.1801 7.1801 7.1932 7.1932 7.4085 7.4085 11.8388 11.8388 14.3252 14.3252 18.2257 18.2257 18.7731 18.7731 k = 0.0000 0.0000 0.0000 ( 1387 PWs) bands (ev): -7.9526 -7.9526 -5.7294 -5.7294 1.2789 1.2789 6.5258 6.5258 6.5413 6.5413 7.1801 7.1801 7.1932 7.1932 7.4085 7.4085 11.8388 11.8388 14.3252 14.3252 18.2257 18.2257 18.7731 18.7731 k = 0.0000 0.0000 0.0097 ( 1387 PWs) bands (ev): -7.9517 -7.9517 -5.7315 -5.7315 1.2824 1.2824 6.5262 6.5262 6.5417 6.5417 7.1796 7.1796 7.1928 7.1928 7.4025 7.4025 11.8438 11.8438 14.3258 14.3258 18.2239 18.2239 18.7726 18.7726 k = 0.0000 0.0000 0.0195 ( 1375 PWs) bands (ev): -7.9488 -7.9488 -5.7376 -5.7376 1.2930 1.2930 6.5274 6.5274 6.5429 6.5429 7.1784 7.1784 7.1915 7.1915 7.3846 7.3846 11.8588 11.8588 14.3278 14.3278 18.2189 18.2189 18.7713 18.7713 k = 0.0000 0.0000 0.0292 ( 1375 PWs) bands (ev): -7.9439 -7.9439 -5.7477 -5.7477 1.3105 1.3105 6.5293 6.5293 6.5448 6.5448 7.1762 7.1762 7.1895 7.1895 7.3551 7.3551 11.8833 11.8833 14.3312 14.3312 18.2102 18.2102 18.7690 18.7690 k = 0.0000 0.0000 0.0390 ( 1375 PWs) bands (ev): -7.9371 -7.9371 -5.7618 -5.7618 1.3349 1.3349 6.5319 6.5319 6.5473 6.5473 7.1732 7.1732 7.1866 7.1866 7.3144 7.3144 11.9171 11.9171 14.3357 14.3357 18.1982 18.1982 18.7660 18.7660 k = 0.0000 0.0000 0.0487 ( 1375 PWs) bands (ev): -7.9285 -7.9285 -5.7797 -5.7797 1.3661 1.3661 6.5352 6.5352 6.5506 6.5506 7.1692 7.1692 7.1829 7.1829 7.2632 7.2632 11.9596 11.9596 14.3415 14.3415 18.1831 18.1831 18.7623 18.7623 k = 0.0000 0.0000 0.0584 ( 1375 PWs) bands (ev): -7.9179 -7.9179 -5.8013 -5.8013 1.4040 1.4040 6.5393 6.5393 6.5547 6.5547 7.1635 7.1635 7.1784 7.1784 7.2029 7.2029 12.0100 12.0100 14.3484 14.3484 18.1650 18.1650 18.7582 18.7582 k = 0.0000 0.0000 0.0682 ( 1363 PWs) bands (ev): -7.9053 -7.9053 -5.8265 -5.8265 1.4483 1.4483 6.5441 6.5441 6.5595 6.5595 7.1277 7.1277 7.1627 7.1627 7.1733 7.1733 12.0678 12.0678 14.3563 14.3563 18.1442 18.1442 18.7539 18.7539 k = 0.0000 0.0000 0.0779 ( 1363 PWs) bands (ev): -7.8909 -7.8909 -5.8551 -5.8551 1.4989 1.4989 6.5496 6.5496 6.5649 6.5649 7.0500 7.0500 7.1550 7.1550 7.1672 7.1672 12.1321 12.1321 14.3650 14.3650 18.1209 18.1209 18.7495 18.7495 k = 0.0000 0.0000 0.0876 ( 1364 PWs) bands (ev): -7.8746 -7.8746 -5.8869 -5.8869 1.5557 1.5557 6.5557 6.5557 6.5711 6.5711 6.9631 6.9631 7.1478 7.1478 7.1604 7.1604 12.2021 12.2021 14.3744 14.3744 18.0954 18.0954 18.7453 18.7453 k = 0.0000 0.0000 0.0974 ( 1346 PWs) bands (ev): -7.8564 -7.8564 -5.9217 -5.9217 1.6184 1.6184 6.5626 6.5626 6.5779 6.5779 6.8692 6.8692 7.1403 7.1403 7.1530 7.1530 12.2772 12.2772 14.3843 14.3843 18.0681 18.0681 18.7415 18.7415 k = 0.0000 0.0000 0.1071 ( 1346 PWs) bands (ev): -7.8364 -7.8364 -5.9594 -5.9594 1.6867 1.6867 6.5701 6.5701 6.5854 6.5854 6.7687 6.7687 7.1319 7.1319 7.1447 7.1447 12.3566 12.3566 14.3946 14.3946 18.0393 18.0393 18.7383 18.7383 k = 0.0000 0.0000 0.1169 ( 1346 PWs) bands (ev): -7.8145 -7.8145 -5.9996 -5.9996 1.7605 1.7605 6.5783 6.5783 6.5935 6.5935 6.6625 6.6625 7.1228 7.1228 7.1357 7.1357 12.4396 12.4396 14.4049 14.4049 18.0095 18.0095 18.7359 18.7359 k = 0.0000 0.0000 0.1266 ( 1346 PWs) bands (ev): -7.7909 -7.7909 -6.0421 -6.0421 1.8394 1.8394 6.5511 6.5511 6.5871 6.5871 6.6023 6.6023 7.1131 7.1131 7.1261 7.1261 12.5256 12.5256 14.4150 14.4150 17.9790 17.9790 18.7346 18.7346 k = 0.0000 0.0000 0.1363 ( 1346 PWs) bands (ev): -7.7654 -7.7654 -6.0868 -6.0868 1.9234 1.9234 6.4353 6.4353 6.5965 6.5965 6.6117 6.6117 7.1028 7.1028 7.1158 7.1158 12.6140 12.6140 14.4246 14.4246 17.9484 17.9484 18.7345 18.7345 k = 0.0000 0.0000 0.1461 ( 1346 PWs) bands (ev): -7.7381 -7.7381 -6.1335 -6.1335 2.0120 2.0120 6.3155 6.3155 6.6066 6.6066 6.6217 6.6217 7.0918 7.0918 7.1049 7.1049 12.7042 12.7042 14.4335 14.4335 17.9181 17.9181 18.7359 18.7359 k = 0.0000 0.0000 0.1558 ( 1346 PWs) bands (ev): -7.7091 -7.7091 -6.1818 -6.1818 2.1051 2.1051 6.1923 6.1923 6.6172 6.6172 6.6323 6.6323 7.0802 7.0802 7.0934 7.0934 12.7958 12.7958 14.4411 14.4411 17.8887 17.8887 18.7389 18.7389 k = 0.0000 0.0000 0.1656 ( 1334 PWs) bands (ev): -7.6784 -7.6784 -6.2317 -6.2317 2.2025 2.2025 6.0662 6.0662 6.6284 6.6284 6.6435 6.6435 7.0682 7.0682 7.0814 7.0814 12.8882 12.8882 14.4473 14.4473 17.8608 17.8608 18.7436 18.7436 k = 0.0000 0.0000 0.1753 ( 1334 PWs) bands (ev): -7.6460 -7.6460 -6.2828 -6.2828 2.3039 2.3039 5.9373 5.9373 6.6401 6.6401 6.6551 6.6551 7.0556 7.0556 7.0688 7.0688 12.9810 12.9810 14.4515 14.4515 17.8347 17.8347 18.7501 18.7501 k = 0.0000 0.0000 0.1850 ( 1334 PWs) bands (ev): -7.6119 -7.6119 -6.3351 -6.3351 2.4090 2.4090 5.8061 5.8061 6.6523 6.6523 6.6673 6.6673 7.0424 7.0424 7.0557 7.0557 13.0737 13.0737 14.4534 14.4534 17.8112 17.8112 18.7586 18.7586 k = 0.0000 0.0000 0.1948 ( 1340 PWs) bands (ev): -7.5762 -7.5762 -6.3883 -6.3883 2.5176 2.5176 5.6730 5.6730 6.6650 6.6650 6.6799 6.6799 7.0288 7.0288 7.0422 7.0422 13.1660 13.1660 14.4525 14.4525 17.7905 17.7905 18.7688 18.7688 k = 0.0000 0.0000 0.2045 ( 1340 PWs) bands (ev): -7.5389 -7.5389 -6.4421 -6.4421 2.6296 2.6296 5.5383 5.5383 6.6782 6.6782 6.6930 6.6930 7.0148 7.0148 7.0283 7.0283 13.2574 13.2574 14.4485 14.4485 17.7737 17.7737 18.7755 18.7755 k = 0.0000 0.0000 0.2142 ( 1346 PWs) bands (ev): -7.5001 -7.5001 -6.4966 -6.4966 2.7447 2.7447 5.4023 5.4023 6.6917 6.6917 6.7065 6.7065 7.0004 7.0004 7.0139 7.0139 13.3477 13.3477 14.4409 14.4409 17.7611 17.7611 18.7020 18.7020 k = 0.0000 0.0000 0.2240 ( 1346 PWs) bands (ev): -7.4598 -7.4598 -6.5514 -6.5514 2.8627 2.8627 5.2653 5.2653 6.7057 6.7057 6.7204 6.7204 6.9857 6.9857 6.9992 6.9992 13.4365 13.4365 14.4294 14.4294 17.7530 17.7530 18.6074 18.6074 k = 0.0000 0.0000 0.2337 ( 1346 PWs) bands (ev): -7.4180 -7.4180 -6.6064 -6.6064 2.9834 2.9834 5.1275 5.1275 6.7200 6.7200 6.7347 6.7347 6.9706 6.9706 6.9843 6.9843 13.5234 13.5234 14.4136 14.4136 17.7502 17.7502 18.5155 18.5155 k = 0.0000 0.0000 0.2435 ( 1346 PWs) bands (ev): -7.3749 -7.3749 -6.6615 -6.6615 3.1066 3.1066 4.9892 4.9892 6.7347 6.7347 6.7493 6.7493 6.9553 6.9553 6.9690 6.9690 13.6080 13.6080 14.3933 14.3933 17.7528 17.7528 18.4273 18.4273 k = 0.0000 0.0000 0.2532 ( 1340 PWs) bands (ev): -7.3303 -7.3303 -6.7166 -6.7166 3.2321 3.2321 4.8505 4.8505 6.7497 6.7497 6.7642 6.7642 6.9399 6.9399 6.9537 6.9537 13.6901 13.6901 14.3681 14.3681 17.7613 17.7613 18.3433 18.3433 k = 0.0000 0.0000 0.2629 ( 1340 PWs) bands (ev): -7.2845 -7.2845 -6.7714 -6.7714 3.3597 3.3597 4.7118 4.7118 6.7649 6.7649 6.7794 6.7794 6.9242 6.9242 6.9380 6.9380 13.7693 13.7693 14.3379 14.3379 17.7759 17.7759 18.2639 18.2639 k = 0.0000 0.0000 0.2727 ( 1340 PWs) bands (ev): -7.2375 -7.2375 -6.8259 -6.8259 3.4892 3.4892 4.5731 4.5731 6.7804 6.7804 6.7949 6.7949 6.9083 6.9083 6.9222 6.9222 13.8453 13.8453 14.3026 14.3026 17.7968 17.7968 18.1892 18.1892 k = 0.0000 0.0000 0.2824 ( 1352 PWs) bands (ev): -7.1893 -7.1893 -6.8800 -6.8800 3.6204 3.6204 4.4345 4.4345 6.7961 6.7961 6.8104 6.8104 6.8923 6.8923 6.9062 6.9062 13.9177 13.9177 14.2621 14.2621 17.8241 17.8241 18.1196 18.1196 k = 0.0000 0.0000 0.2922 ( 1352 PWs) bands (ev): -7.1400 -7.1400 -6.9335 -6.9335 3.7532 3.7532 4.2966 4.2966 6.8119 6.8119 6.8262 6.8262 6.8762 6.8762 6.8902 6.8902 13.9862 13.9862 14.2166 14.2166 17.8578 17.8578 18.0555 18.0555 k = 0.0000 0.0000 0.3019 ( 1352 PWs) bands (ev): -7.0897 -7.0897 -6.9863 -6.9863 3.8874 3.8874 4.1593 4.1593 6.8279 6.8279 6.8421 6.8421 6.8601 6.8601 6.8742 6.8742 14.0507 14.0507 14.1661 14.1661 17.8980 17.8980 17.9970 17.9970 k = 0.0000 0.0000 0.3116 ( 1352 PWs) bands (ev): -7.0384 -7.0384 -7.0384 -7.0384 4.0229 4.0229 4.0229 4.0229 6.8440 6.8440 6.8440 6.8440 6.8581 6.8581 6.8581 6.8581 14.1107 14.1107 14.1107 14.1107 17.9444 17.9444 17.9444 17.9444 k = 0.0000 0.0000 0.3116 ( 1352 PWs) bands (ev): -7.0384 -7.0384 -7.0384 -7.0384 4.0229 4.0229 4.0229 4.0229 6.8440 6.8440 6.8440 6.8440 6.8581 6.8581 6.8581 6.8581 14.1107 14.1107 14.1107 14.1107 17.9444 17.9444 17.9444 17.9444 k = 0.0085 0.0049 0.3116 ( 1354 PWs) bands (ev): -7.0376 -7.0376 -7.0376 -7.0376 4.0227 4.0227 4.0227 4.0227 6.8418 6.8418 6.8421 6.8421 6.8563 6.8563 6.8563 6.8563 14.1132 14.1132 14.1136 14.1136 17.9358 17.9358 17.9379 17.9379 k = 0.0169 0.0098 0.3116 ( 1350 PWs) bands (ev): -7.0351 -7.0351 -7.0351 -7.0351 4.0223 4.0223 4.0224 4.0224 6.8347 6.8347 6.8353 6.8353 6.8518 6.8518 6.8518 6.8518 14.1209 14.1209 14.1217 14.1217 17.9125 17.9125 17.9166 17.9166 k = 0.0254 0.0147 0.3116 ( 1352 PWs) bands (ev): -7.0310 -7.0310 -7.0309 -7.0309 4.0216 4.0216 4.0217 4.0217 6.8211 6.8211 6.8219 6.8219 6.8462 6.8462 6.8463 6.8463 14.1338 14.1338 14.1350 14.1350 17.8761 17.8761 17.8819 17.8819 k = 0.0339 0.0196 0.3116 ( 1352 PWs) bands (ev): -7.0252 -7.0252 -7.0250 -7.0250 4.0205 4.0205 4.0206 4.0206 6.8009 6.8009 6.8020 6.8020 6.8399 6.8399 6.8400 6.8400 14.1516 14.1516 14.1532 14.1532 17.8285 17.8285 17.8358 17.8358 k = 0.0424 0.0245 0.3116 ( 1352 PWs) bands (ev): -7.0177 -7.0177 -7.0175 -7.0175 4.0190 4.0190 4.0192 4.0192 6.7749 6.7749 6.7761 6.7761 6.8325 6.8325 6.8326 6.8326 14.1738 14.1738 14.1758 14.1758 17.7719 17.7719 17.7803 17.7803 k = 0.0508 0.0294 0.3116 ( 1356 PWs) bands (ev): -7.0086 -7.0086 -7.0084 -7.0084 4.0170 4.0170 4.0172 4.0172 6.7433 6.7433 6.7448 6.7448 6.8238 6.8238 6.8239 6.8239 14.2001 14.2001 14.2024 14.2024 17.7085 17.7085 17.7177 17.7177 k = 0.0593 0.0342 0.3116 ( 1360 PWs) bands (ev): -6.9979 -6.9979 -6.9976 -6.9976 4.0144 4.0144 4.0147 4.0147 6.7068 6.7068 6.7085 6.7085 6.8138 6.8138 6.8139 6.8139 14.2298 14.2298 14.2324 14.2324 17.6401 17.6401 17.6500 17.6500 k = 0.0678 0.0391 0.3116 ( 1352 PWs) bands (ev): -6.9855 -6.9855 -6.9852 -6.9852 4.0111 4.0111 4.0114 4.0114 6.6660 6.6660 6.6678 6.6678 6.8025 6.8025 6.8025 6.8025 14.2623 14.2623 14.2652 14.2652 17.5686 17.5686 17.5790 17.5790 k = 0.0763 0.0440 0.3116 ( 1348 PWs) bands (ev): -6.9715 -6.9715 -6.9712 -6.9712 4.0069 4.0069 4.0072 4.0072 6.6211 6.6211 6.6231 6.6231 6.7898 6.7898 6.7899 6.7899 14.2967 14.2967 14.2999 14.2999 17.4957 17.4957 17.5064 17.5064 k = 0.0847 0.0489 0.3116 ( 1340 PWs) bands (ev): -6.9560 -6.9560 -6.9556 -6.9556 4.0015 4.0015 4.0019 4.0019 6.5729 6.5729 6.5751 6.5751 6.7759 6.7759 6.7760 6.7760 14.3322 14.3322 14.3357 14.3357 17.4227 17.4227 17.4336 17.4336 k = 0.0932 0.0538 0.3116 ( 1340 PWs) bands (ev): -6.9389 -6.9389 -6.9385 -6.9385 3.9949 3.9949 3.9953 3.9953 6.5217 6.5217 6.5240 6.5240 6.7608 6.7608 6.7608 6.7608 14.3678 14.3678 14.3715 14.3715 17.3511 17.3511 17.3621 17.3621 k = 0.1017 0.0587 0.3116 ( 1340 PWs) bands (ev): -6.9202 -6.9202 -6.9198 -6.9198 3.9867 3.9867 3.9871 3.9871 6.4682 6.4682 6.4707 6.4707 6.7444 6.7444 6.7445 6.7445 14.4024 14.4024 14.4063 14.4063 17.2822 17.2822 17.2932 17.2932 k = 0.1102 0.0636 0.3116 ( 1340 PWs) bands (ev): -6.9001 -6.9001 -6.8996 -6.8996 3.9768 3.9768 3.9772 3.9772 6.4130 6.4130 6.4157 6.4157 6.7270 6.7270 6.7271 6.7271 14.4350 14.4350 14.4390 14.4390 17.2173 17.2173 17.2281 17.2281 k = 0.1186 0.0685 0.3116 ( 1340 PWs) bands (ev): -6.8784 -6.8784 -6.8779 -6.8779 3.9648 3.9648 3.9652 3.9652 6.3569 6.3569 6.3597 6.3597 6.7085 6.7085 6.7086 6.7086 14.4644 14.4644 14.4684 14.4684 17.1576 17.1576 17.1682 17.1682 k = 0.1271 0.0734 0.3116 ( 1340 PWs) bands (ev): -6.8553 -6.8553 -6.8548 -6.8548 3.9504 3.9504 3.9509 3.9509 6.3003 6.3003 6.3032 6.3032 6.6891 6.6891 6.6892 6.6892 14.4893 14.4893 14.4933 14.4933 17.1042 17.1042 17.1144 17.1144 k = 0.1356 0.0783 0.3116 ( 1336 PWs) bands (ev): -6.8308 -6.8308 -6.8302 -6.8302 3.9334 3.9334 3.9339 3.9339 6.2440 6.2440 6.2470 6.2470 6.6689 6.6689 6.6689 6.6689 14.5088 14.5088 14.5126 14.5126 17.0582 17.0582 17.0679 17.0679 k = 0.1441 0.0832 0.3116 ( 1332 PWs) bands (ev): -6.8049 -6.8049 -6.8043 -6.8043 3.9134 3.9134 3.9138 3.9138 6.1886 6.1886 6.1917 6.1917 6.6478 6.6478 6.6478 6.6478 14.5216 14.5216 14.5252 14.5252 17.0203 17.0203 17.0294 17.0294 k = 0.1525 0.0881 0.3116 ( 1338 PWs) bands (ev): -6.7776 -6.7776 -6.7770 -6.7770 3.8900 3.8900 3.8905 3.8905 6.1347 6.1347 6.1379 6.1379 6.6259 6.6259 6.6259 6.6259 14.5270 14.5270 14.5303 14.5303 16.9911 16.9911 16.9996 16.9996 k = 0.1610 0.0930 0.3116 ( 1334 PWs) bands (ev): -6.7490 -6.7490 -6.7483 -6.7483 3.8631 3.8631 3.8636 3.8636 6.0829 6.0829 6.0862 6.0862 6.6033 6.6033 6.6034 6.6034 14.5245 14.5245 14.5274 14.5274 16.9710 16.9710 16.9788 16.9788 k = 0.1695 0.0979 0.3116 ( 1342 PWs) bands (ev): -6.7192 -6.7192 -6.7185 -6.7185 3.8322 3.8322 3.8327 3.8327 6.0339 6.0339 6.0372 6.0372 6.5801 6.5801 6.5802 6.5802 14.5135 14.5135 14.5160 14.5160 16.9600 16.9600 16.9669 16.9669 k = 0.1780 0.1027 0.3116 ( 1342 PWs) bands (ev): -6.6881 -6.6881 -6.6874 -6.6874 3.7973 3.7973 3.7977 3.7977 5.9880 5.9880 5.9913 5.9913 6.5565 6.5565 6.5566 6.5566 14.4942 14.4942 14.4963 14.4963 16.9575 16.9575 16.9636 16.9636 k = 0.1864 0.1076 0.3116 ( 1342 PWs) bands (ev): -6.6559 -6.6559 -6.6552 -6.6552 3.7580 3.7580 3.7585 3.7585 5.9457 5.9457 5.9491 5.9491 6.5325 6.5325 6.5325 6.5325 14.4669 14.4669 14.4685 14.4685 16.9630 16.9630 16.9682 16.9682 k = 0.1949 0.1125 0.3116 ( 1346 PWs) bands (ev): -6.6226 -6.6226 -6.6218 -6.6218 3.7144 3.7144 3.7148 3.7148 5.9074 5.9074 5.9107 5.9107 6.5080 6.5080 6.5081 6.5081 14.4320 14.4320 14.4331 14.4331 16.9755 16.9755 16.9798 16.9798 k = 0.2034 0.1174 0.3116 ( 1346 PWs) bands (ev): -6.5882 -6.5882 -6.5874 -6.5874 3.6664 3.6664 3.6668 3.6668 5.8733 5.8733 5.8766 5.8766 6.4834 6.4834 6.4834 6.4834 14.3903 14.3903 14.3909 14.3909 16.9936 16.9936 16.9970 16.9970 k = 0.2119 0.1223 0.3116 ( 1346 PWs) bands (ev): -6.5529 -6.5529 -6.5521 -6.5521 3.6141 3.6141 3.6144 3.6144 5.8435 5.8435 5.8468 5.8468 6.4585 6.4585 6.4586 6.4586 14.3426 14.3426 14.3428 14.3428 17.0162 17.0162 17.0187 17.0187 k = 0.2203 0.1272 0.3116 ( 1350 PWs) bands (ev): -6.5166 -6.5166 -6.5158 -6.5158 3.5575 3.5575 3.5578 3.5578 5.8181 5.8181 5.8214 5.8214 6.4335 6.4335 6.4336 6.4336 14.2895 14.2895 14.2897 14.2897 17.0417 17.0417 17.0433 17.0433 k = 0.2288 0.1321 0.3116 ( 1350 PWs) bands (ev): -6.4795 -6.4795 -6.4787 -6.4787 3.4970 3.4970 3.4972 3.4972 5.7971 5.7971 5.8003 5.8003 6.4085 6.4085 6.4085 6.4085 14.2321 14.2321 14.2327 14.2327 17.0687 17.0687 17.0696 17.0696 k = 0.2373 0.1370 0.3116 ( 1346 PWs) bands (ev): -6.4416 -6.4416 -6.4408 -6.4408 3.4329 3.4329 3.4330 3.4330 5.7804 5.7804 5.7835 5.7835 6.3836 6.3836 6.3836 6.3836 14.1713 14.1713 14.1722 14.1722 17.0961 17.0961 17.0962 17.0962 k = 0.2458 0.1419 0.3116 ( 1342 PWs) bands (ev): -6.4031 -6.4031 -6.4022 -6.4022 3.3655 3.3655 3.3655 3.3655 5.7677 5.7677 5.7707 5.7707 6.3587 6.3587 6.3587 6.3587 14.1080 14.1080 14.1092 14.1092 17.1219 17.1219 17.1224 17.1224 k = 0.2542 0.1468 0.3116 ( 1354 PWs) bands (ev): -6.3640 -6.3640 -6.3631 -6.3631 3.2950 3.2950 3.2950 3.2950 5.7588 5.7588 5.7617 5.7617 6.3339 6.3339 6.3339 6.3339 14.0428 14.0428 14.0442 14.0442 17.1456 17.1456 17.1467 17.1467 k = 0.2627 0.1517 0.3116 ( 1356 PWs) bands (ev): -6.3243 -6.3243 -6.3234 -6.3234 3.2220 3.2220 3.2221 3.2221 5.7534 5.7534 5.7563 5.7563 6.3094 6.3094 6.3095 6.3095 13.9764 13.9764 13.9780 13.9780 17.1663 17.1663 17.1680 17.1680 k = 0.2712 0.1566 0.3116 ( 1354 PWs) bands (ev): -6.2843 -6.2843 -6.2834 -6.2834 3.1470 3.1470 3.1472 3.1472 5.7513 5.7513 5.7541 5.7541 6.2852 6.2852 6.2853 6.2853 13.9093 13.9093 13.9110 13.9110 17.1835 17.1835 17.1856 17.1856 k = 0.2797 0.1615 0.3116 ( 1354 PWs) bands (ev): -6.2439 -6.2439 -6.2430 -6.2430 3.0704 3.0704 3.0707 3.0707 5.7522 5.7522 5.7549 5.7549 6.2614 6.2614 6.2614 6.2614 13.8420 13.8420 13.8439 13.8439 17.1964 17.1964 17.1990 17.1990 k = 0.2881 0.1664 0.3116 ( 1354 PWs) bands (ev): -6.2033 -6.2033 -6.2024 -6.2024 2.9927 2.9927 2.9929 2.9929 5.7557 5.7557 5.7583 5.7583 6.2380 6.2380 6.2380 6.2380 13.7750 13.7750 13.7770 13.7770 17.2049 17.2049 17.2077 17.2077 k = 0.2966 0.1712 0.3116 ( 1350 PWs) bands (ev): -6.1627 -6.1627 -6.1618 -6.1618 2.9142 2.9142 2.9145 2.9145 5.7616 5.7616 5.7640 5.7640 6.2151 6.2151 6.2151 6.2151 13.7087 13.7087 13.7107 13.7107 17.2087 17.2087 17.2118 17.2118 k = 0.3051 0.1761 0.3116 ( 1352 PWs) bands (ev): -6.1221 -6.1221 -6.1212 -6.1212 2.8354 2.8354 2.8358 2.8358 5.7694 5.7694 5.7718 5.7718 6.1927 6.1927 6.1927 6.1927 13.6433 13.6433 13.6453 13.6453 17.2079 17.2079 17.2112 17.2112 k = 0.3136 0.1810 0.3116 ( 1356 PWs) bands (ev): -6.0816 -6.0816 -6.0807 -6.0807 2.7567 2.7567 2.7571 2.7571 5.7790 5.7790 5.7813 5.7813 6.1709 6.1709 6.1709 6.1709 13.5791 13.5791 13.5812 13.5812 17.2026 17.2026 17.2061 17.2061 k = 0.3220 0.1859 0.3116 ( 1354 PWs) bands (ev): -6.0414 -6.0414 -6.0406 -6.0406 2.6785 2.6785 2.6790 2.6790 5.7901 5.7901 5.7923 5.7923 6.1497 6.1497 6.1497 6.1497 13.5165 13.5165 13.5186 13.5186 17.1934 17.1934 17.1969 17.1969 k = 0.3305 0.1908 0.3116 ( 1354 PWs) bands (ev): -6.0017 -6.0017 -6.0008 -6.0008 2.6013 2.6013 2.6017 2.6017 5.8025 5.8025 5.8046 5.8046 6.1292 6.1292 6.1292 6.1292 13.4556 13.4556 13.4577 13.4577 17.1804 17.1804 17.1840 17.1840 k = 0.3390 0.1957 0.3116 ( 1358 PWs) bands (ev): -5.9625 -5.9625 -5.9616 -5.9616 2.5252 2.5252 2.5257 2.5257 5.8157 5.8157 5.8177 5.8177 6.1094 6.1094 6.1094 6.1094 13.3967 13.3967 13.3987 13.3987 17.1643 17.1643 17.1679 17.1679 k = 0.3475 0.2006 0.3116 ( 1358 PWs) bands (ev): -5.9240 -5.9240 -5.9232 -5.9232 2.4507 2.4507 2.4512 2.4512 5.8298 5.8298 5.8316 5.8316 6.0903 6.0903 6.0904 6.0904 13.3398 13.3398 13.3418 13.3418 17.1455 17.1455 17.1490 17.1490 k = 0.3559 0.2055 0.3116 ( 1362 PWs) bands (ev): -5.8864 -5.8864 -5.8856 -5.8856 2.3782 2.3782 2.3787 2.3787 5.8443 5.8443 5.8461 5.8461 6.0721 6.0721 6.0722 6.0722 13.2853 13.2853 13.2872 13.2872 17.1246 17.1246 17.1280 17.1280 k = 0.3644 0.2104 0.3116 ( 1362 PWs) bands (ev): -5.8497 -5.8497 -5.8489 -5.8489 2.3079 2.3079 2.3084 2.3084 5.8591 5.8591 5.8608 5.8608 6.0548 6.0548 6.0548 6.0548 13.2332 13.2332 13.2351 13.2351 17.1020 17.1020 17.1053 17.1053 k = 0.3729 0.2153 0.3116 ( 1362 PWs) bands (ev): -5.8142 -5.8142 -5.8135 -5.8135 2.2402 2.2402 2.2407 2.2407 5.8740 5.8740 5.8756 5.8756 6.0383 6.0383 6.0383 6.0383 13.1836 13.1836 13.1854 13.1854 17.0783 17.0783 17.0815 17.0815 k = 0.3814 0.2202 0.3116 ( 1362 PWs) bands (ev): -5.7801 -5.7801 -5.7793 -5.7793 2.1753 2.1753 2.1758 2.1758 5.8889 5.8889 5.8904 5.8904 6.0227 6.0227 6.0228 6.0228 13.1368 13.1368 13.1385 13.1385 17.0540 17.0540 17.0571 17.0571 k = 0.3898 0.2251 0.3116 ( 1362 PWs) bands (ev): -5.7474 -5.7474 -5.7467 -5.7467 2.1135 2.1135 2.1140 2.1140 5.9035 5.9035 5.9049 5.9049 6.0082 6.0082 6.0082 6.0082 13.0927 13.0927 13.0943 13.0943 17.0296 17.0296 17.0324 17.0324 k = 0.3983 0.2300 0.3116 ( 1362 PWs) bands (ev): -5.7163 -5.7163 -5.7157 -5.7157 2.0552 2.0552 2.0557 2.0557 5.9176 5.9176 5.9190 5.9190 5.9946 5.9946 5.9946 5.9946 13.0515 13.0515 13.0530 13.0530 17.0053 17.0053 17.0080 17.0080 k = 0.4068 0.2349 0.3116 ( 1358 PWs) bands (ev): -5.6870 -5.6870 -5.6864 -5.6864 2.0005 2.0005 2.0010 2.0010 5.9312 5.9312 5.9324 5.9324 5.9820 5.9820 5.9821 5.9821 13.0133 13.0133 13.0147 13.0147 16.9817 16.9817 16.9842 16.9842 k = 0.4153 0.2397 0.3116 ( 1354 PWs) bands (ev): -5.6597 -5.6597 -5.6591 -5.6591 1.9497 1.9497 1.9501 1.9501 5.9439 5.9439 5.9450 5.9450 5.9707 5.9707 5.9708 5.9708 12.9781 12.9781 12.9794 12.9794 16.9591 16.9591 16.9614 16.9614 k = 0.4237 0.2446 0.3116 ( 1356 PWs) bands (ev): -5.6344 -5.6344 -5.6339 -5.6339 1.9029 1.9029 1.9033 1.9033 5.9534 5.9534 5.9544 5.9544 5.9628 5.9628 5.9628 5.9628 12.9461 12.9461 12.9473 12.9473 16.9377 16.9377 16.9398 16.9398 k = 0.4322 0.2495 0.3116 ( 1356 PWs) bands (ev): -5.6114 -5.6114 -5.6109 -5.6109 1.8605 1.8605 1.8609 1.8609 5.9488 5.9488 5.9490 5.9490 5.9690 5.9690 5.9697 5.9697 12.9173 12.9173 12.9183 12.9183 16.9179 16.9179 16.9198 16.9198 k = 0.4407 0.2544 0.3116 ( 1354 PWs) bands (ev): -5.5907 -5.5907 -5.5903 -5.5903 1.8226 1.8226 1.8230 1.8230 5.9409 5.9409 5.9410 5.9410 5.9786 5.9786 5.9793 5.9793 12.8917 12.8917 12.8927 12.8927 16.8999 16.8999 16.9015 16.9015 k = 0.4492 0.2593 0.3116 ( 1354 PWs) bands (ev): -5.5725 -5.5725 -5.5722 -5.5722 1.7895 1.7895 1.7897 1.7897 5.9337 5.9337 5.9337 5.9337 5.9875 5.9875 5.9881 5.9881 12.8695 12.8695 12.8703 12.8703 16.8839 16.8839 16.8853 16.8853 k = 0.4576 0.2642 0.3116 ( 1358 PWs) bands (ev): -5.5569 -5.5569 -5.5566 -5.5566 1.7611 1.7611 1.7613 1.7613 5.9275 5.9275 5.9275 5.9275 5.9951 5.9951 5.9956 5.9956 12.8506 12.8506 12.8512 12.8512 16.8700 16.8700 16.8712 16.8712 k = 0.4661 0.2691 0.3116 ( 1352 PWs) bands (ev): -5.5440 -5.5440 -5.5438 -5.5438 1.7377 1.7377 1.7379 1.7379 5.9224 5.9224 5.9225 5.9225 6.0016 6.0016 6.0020 6.0020 12.8351 12.8351 12.8356 12.8356 16.8586 16.8586 16.8595 16.8595 k = 0.4746 0.2740 0.3116 ( 1352 PWs) bands (ev): -5.5339 -5.5339 -5.5337 -5.5337 1.7194 1.7194 1.7196 1.7196 5.9185 5.9185 5.9185 5.9185 6.0066 6.0066 6.0070 6.0070 12.8230 12.8230 12.8234 12.8234 16.8495 16.8495 16.8502 16.8502 k = 0.4831 0.2789 0.3116 ( 1352 PWs) bands (ev): -5.5266 -5.5266 -5.5265 -5.5265 1.7063 1.7063 1.7064 1.7064 5.9156 5.9156 5.9156 5.9156 6.0103 6.0103 6.0105 6.0105 12.8144 12.8144 12.8147 12.8147 16.8430 16.8430 16.8435 16.8435 k = 0.4915 0.2838 0.3116 ( 1348 PWs) bands (ev): -5.5222 -5.5222 -5.5221 -5.5221 1.6984 1.6984 1.6984 1.6984 5.9140 5.9140 5.9140 5.9140 6.0125 6.0125 6.0126 6.0126 12.8092 12.8092 12.8094 12.8094 16.8392 16.8392 16.8394 16.8394 k = 0.5000 0.2887 0.3116 ( 1348 PWs) bands (ev): -5.5207 -5.5207 -5.5207 -5.5207 1.6958 1.6958 1.6958 1.6958 5.9134 5.9134 5.9134 5.9134 6.0133 6.0133 6.0133 6.0133 12.8076 12.8076 12.8076 12.8076 16.8379 16.8379 16.8379 16.8379 k = 0.5000 0.2887 0.3116 ( 1348 PWs) bands (ev): -5.5207 -5.5207 -5.5207 -5.5207 1.6958 1.6958 1.6958 1.6958 5.9134 5.9134 5.9134 5.9134 6.0133 6.0133 6.0133 6.0133 12.8076 12.8076 12.8076 12.8076 16.8379 16.8379 16.8379 16.8379 k = 0.4951 0.2972 0.3116 ( 1352 PWs) bands (ev): -5.5204 -5.5204 -5.5202 -5.5202 1.6967 1.6967 1.6969 1.6969 5.8876 5.8876 5.8912 5.8912 6.0314 6.0314 6.0354 6.0354 12.8111 12.8111 12.8115 12.8115 16.8395 16.8395 16.8397 16.8397 k = 0.4902 0.3057 0.3116 ( 1352 PWs) bands (ev): -5.5193 -5.5193 -5.5190 -5.5190 1.6998 1.6998 1.7000 1.7000 5.8384 5.8384 5.8427 5.8427 6.0684 6.0684 6.0735 6.0735 12.8221 12.8221 12.8229 12.8229 16.8443 16.8443 16.8447 16.8447 k = 0.4853 0.3141 0.3116 ( 1356 PWs) bands (ev): -5.5175 -5.5175 -5.5171 -5.5171 1.7048 1.7048 1.7053 1.7053 5.7803 5.7803 5.7846 5.7846 6.1074 6.1074 6.1129 6.1129 12.8405 12.8405 12.8416 12.8416 16.8522 16.8522 16.8528 16.8528 k = 0.4804 0.3226 0.3116 ( 1356 PWs) bands (ev): -5.5149 -5.5149 -5.5144 -5.5144 1.7120 1.7120 1.7125 1.7125 5.7166 5.7166 5.7208 5.7208 6.1450 6.1450 6.1507 6.1507 12.8660 12.8660 12.8675 12.8675 16.8628 16.8628 16.8636 16.8636 k = 0.4755 0.3311 0.3116 ( 1364 PWs) bands (ev): -5.5117 -5.5117 -5.5110 -5.5110 1.7212 1.7212 1.7218 1.7218 5.6483 5.6483 5.6522 5.6522 6.1802 6.1802 6.1860 6.1860 12.8983 12.8983 12.9001 12.9001 16.8755 16.8755 16.8766 16.8766 k = 0.4706 0.3396 0.3116 ( 1360 PWs) bands (ev): -5.5077 -5.5077 -5.5069 -5.5069 1.7324 1.7324 1.7332 1.7332 5.5759 5.5759 5.5796 5.5796 6.2131 6.2131 6.2190 6.2190 12.9371 12.9371 12.9392 12.9392 16.8897 16.8897 16.8911 16.8911 k = 0.4657 0.3481 0.3116 ( 1360 PWs) bands (ev): -5.5030 -5.5030 -5.5021 -5.5021 1.7456 1.7456 1.7466 1.7466 5.4995 5.4995 5.5030 5.5030 6.2437 6.2437 6.2496 6.2496 12.9819 12.9819 12.9843 12.9843 16.9045 16.9045 16.9062 16.9062 k = 0.4608 0.3566 0.3116 ( 1356 PWs) bands (ev): -5.4977 -5.4977 -5.4967 -5.4967 1.7608 1.7608 1.7619 1.7619 5.4196 5.4196 5.4228 5.4228 6.2721 6.2721 6.2780 6.2780 13.0324 13.0324 13.0351 13.0351 16.9187 16.9187 16.9206 16.9206 k = 0.4559 0.3651 0.3116 ( 1360 PWs) bands (ev): -5.4918 -5.4918 -5.4906 -5.4906 1.7780 1.7780 1.7793 1.7793 5.3363 5.3363 5.3393 5.3393 6.2984 6.2984 6.3043 6.3043 13.0880 13.0880 13.0909 13.0909 16.9309 16.9309 16.9331 16.9331 k = 0.4510 0.3736 0.3116 ( 1356 PWs) bands (ev): -5.4852 -5.4852 -5.4840 -5.4840 1.7972 1.7972 1.7986 1.7986 5.2501 5.2501 5.2529 5.2529 6.3230 6.3230 6.3289 6.3289 13.1482 13.1482 13.1514 13.1514 16.9393 16.9393 16.9419 16.9419 k = 0.4461 0.3821 0.3116 ( 1358 PWs) bands (ev): -5.4781 -5.4781 -5.4767 -5.4767 1.8182 1.8182 1.8198 1.8198 5.1612 5.1612 5.1639 5.1639 6.3459 6.3459 6.3517 6.3517 13.2126 13.2126 13.2160 13.2160 16.9422 16.9422 16.9452 16.9452 k = 0.4412 0.3906 0.3116 ( 1358 PWs) bands (ev): -5.4705 -5.4705 -5.4690 -5.4690 1.8412 1.8412 1.8428 1.8428 5.0700 5.0700 5.0725 5.0725 6.3674 6.3674 6.3731 6.3731 13.2807 13.2807 13.2843 13.2843 16.9377 16.9377 16.9410 16.9410 k = 0.4363 0.3991 0.3116 ( 1356 PWs) bands (ev): -5.4624 -5.4624 -5.4608 -5.4608 1.8659 1.8659 1.8677 1.8677 4.9768 4.9768 4.9793 4.9793 6.3875 6.3875 6.3931 6.3931 13.3520 13.3520 13.3558 13.3558 16.9239 16.9239 16.9276 16.9276 k = 0.4314 0.4075 0.3116 ( 1356 PWs) bands (ev): -5.4539 -5.4539 -5.4522 -5.4522 1.8925 1.8925 1.8944 1.8944 4.8821 4.8821 4.8846 4.8846 6.4064 6.4064 6.4119 6.4119 13.4260 13.4260 13.4299 13.4299 16.8994 16.8994 16.9036 16.9036 k = 0.4265 0.4160 0.3116 ( 1356 PWs) bands (ev): -5.4450 -5.4450 -5.4432 -5.4432 1.9207 1.9207 1.9228 1.9228 4.7862 4.7862 4.7887 4.7887 6.4243 6.4243 6.4297 6.4297 13.5024 13.5024 13.5065 13.5065 16.8634 16.8634 16.8680 16.8680 k = 0.4216 0.4245 0.3116 ( 1356 PWs) bands (ev): -5.4358 -5.4358 -5.4339 -5.4339 1.9507 1.9507 1.9529 1.9529 4.6896 4.6896 4.6921 4.6921 6.4411 6.4411 6.4464 6.4464 13.5807 13.5807 13.5850 13.5850 16.8158 16.8158 16.8208 16.8208 k = 0.4167 0.4330 0.3116 ( 1360 PWs) bands (ev): -5.4264 -5.4264 -5.4244 -5.4244 1.9821 1.9821 1.9845 1.9845 4.5926 4.5926 4.5953 4.5953 6.4570 6.4570 6.4621 6.4621 13.6606 13.6606 13.6650 13.6650 16.7572 16.7572 16.7625 16.7625 k = 0.4118 0.4415 0.3116 ( 1364 PWs) bands (ev): -5.4168 -5.4168 -5.4147 -5.4147 2.0151 2.0151 2.0176 2.0176 4.4957 4.4957 4.4985 4.4985 6.4720 6.4720 6.4770 6.4770 13.7418 13.7418 13.7464 13.7464 16.6886 16.6886 16.6942 16.6942 k = 0.4069 0.4500 0.3116 ( 1364 PWs) bands (ev): -5.4071 -5.4071 -5.4048 -5.4048 2.0494 2.0494 2.0520 2.0520 4.3994 4.3994 4.4023 4.4023 6.4861 6.4861 6.4911 6.4911 13.8241 13.8241 13.8288 13.8288 16.6116 16.6116 16.6175 16.6175 k = 0.4020 0.4585 0.3116 ( 1360 PWs) bands (ev): -5.3973 -5.3973 -5.3950 -5.3950 2.0850 2.0850 2.0877 2.0877 4.3042 4.3042 4.3071 4.3071 6.4996 6.4996 6.5044 6.5044 13.9071 13.9071 13.9120 13.9120 16.5277 16.5277 16.5337 16.5337 k = 0.3971 0.4670 0.3116 ( 1360 PWs) bands (ev): -5.3876 -5.3876 -5.3852 -5.3852 2.1215 2.1215 2.1245 2.1245 4.2103 4.2103 4.2134 4.2134 6.5122 6.5122 6.5169 6.5169 13.9907 13.9907 13.9957 13.9957 16.4383 16.4383 16.4444 16.4444 k = 0.3922 0.4755 0.3116 ( 1356 PWs) bands (ev): -5.3780 -5.3780 -5.3756 -5.3756 2.1590 2.1590 2.1620 2.1620 4.1185 4.1185 4.1217 4.1217 6.5240 6.5240 6.5287 6.5287 14.0746 14.0746 14.0798 14.0798 16.3449 16.3449 16.3511 16.3511 k = 0.3873 0.4840 0.3116 ( 1356 PWs) bands (ev): -5.3687 -5.3687 -5.3661 -5.3661 2.1970 2.1970 2.2002 2.2002 4.0291 4.0291 4.0324 4.0324 6.5351 6.5351 6.5397 6.5397 14.1586 14.1586 14.1640 14.1640 16.2488 16.2488 16.2550 16.2550 k = 0.3824 0.4924 0.3116 ( 1356 PWs) bands (ev): -5.3596 -5.3596 -5.3570 -5.3570 2.2354 2.2354 2.2387 2.2387 3.9428 3.9428 3.9462 3.9462 6.5453 6.5453 6.5499 6.5499 14.2426 14.2426 14.2482 14.2482 16.1510 16.1510 16.1573 16.1573 k = 0.3775 0.5009 0.3116 ( 1356 PWs) bands (ev): -5.3510 -5.3510 -5.3483 -5.3483 2.2736 2.2736 2.2771 2.2771 3.8601 3.8601 3.8636 3.8636 6.5548 6.5548 6.5592 6.5592 14.3263 14.3263 14.3320 14.3320 16.0526 16.0526 16.0589 16.0589 k = 0.3725 0.5094 0.3116 ( 1352 PWs) bands (ev): -5.3428 -5.3428 -5.3400 -5.3400 2.3113 2.3113 2.3150 2.3150 3.7819 3.7819 3.7855 3.7855 6.5634 6.5634 6.5678 6.5678 14.4094 14.4094 14.4154 14.4154 15.9546 15.9546 15.9607 15.9607 k = 0.3676 0.5179 0.3116 ( 1344 PWs) bands (ev): -5.3352 -5.3352 -5.3324 -5.3324 2.3478 2.3478 2.3517 2.3517 3.7089 3.7089 3.7126 3.7126 6.5713 6.5713 6.5756 6.5756 14.4917 14.4917 14.4979 14.4979 15.8578 15.8578 15.8638 15.8638 k = 0.3627 0.5264 0.3116 ( 1344 PWs) bands (ev): -5.3283 -5.3283 -5.3254 -5.3254 2.3824 2.3824 2.3865 2.3865 3.6420 3.6420 3.6459 3.6459 6.5781 6.5781 6.5824 6.5824 14.5725 14.5725 14.5789 14.5789 15.7633 15.7633 15.7692 15.7692 k = 0.3578 0.5349 0.3116 ( 1348 PWs) bands (ev): -5.3222 -5.3222 -5.3193 -5.3193 2.4143 2.4143 2.4185 2.4185 3.5824 3.5824 3.5863 3.5863 6.5840 6.5840 6.5883 6.5883 14.6511 14.6511 14.6578 14.6578 15.6723 15.6723 15.6779 15.6779 k = 0.3529 0.5434 0.3116 ( 1348 PWs) bands (ev): -5.3170 -5.3170 -5.3141 -5.3141 2.4423 2.4423 2.4467 2.4467 3.5312 3.5312 3.5352 3.5352 6.5890 6.5890 6.5932 6.5932 14.7262 14.7262 14.7332 14.7332 15.5865 15.5865 15.5918 15.5918 k = 0.3480 0.5519 0.3116 ( 1348 PWs) bands (ev): -5.3127 -5.3127 -5.3098 -5.3098 2.4655 2.4655 2.4700 2.4700 3.4898 3.4898 3.4939 3.4939 6.5929 6.5929 6.5971 6.5971 14.7954 14.7954 14.8027 14.8027 15.5086 15.5086 15.5133 15.5133 k = 0.3431 0.5604 0.3116 ( 1356 PWs) bands (ev): -5.3096 -5.3096 -5.3066 -5.3066 2.4827 2.4827 2.4874 2.4874 3.4593 3.4593 3.4635 3.4635 6.5957 6.5957 6.5999 6.5999 14.8546 14.8546 14.8621 14.8621 15.4431 15.4431 15.4471 15.4471 k = 0.3382 0.5689 0.3116 ( 1356 PWs) bands (ev): -5.3077 -5.3077 -5.3047 -5.3047 2.4932 2.4932 2.4980 2.4980 3.4408 3.4408 3.4450 3.4450 6.5974 6.5974 6.6016 6.6016 14.8964 14.8964 14.9042 14.9042 15.3977 15.3977 15.4006 15.4006 k = 0.3333 0.5774 0.3116 ( 1356 PWs) bands (ev): -5.3070 -5.3070 -5.3040 -5.3040 2.4967 2.4967 2.5015 2.5015 3.4346 3.4346 3.4388 3.4388 6.5980 6.5980 6.6022 6.6022 14.9118 14.9118 14.9197 14.9197 15.3812 15.3812 15.3834 15.3834 k = 0.3333 0.5774 0.3116 ( 1356 PWs) bands (ev): -5.3070 -5.3070 -5.3040 -5.3040 2.4967 2.4967 2.5015 2.5015 3.4346 3.4346 3.4388 3.4388 6.5980 6.5980 6.6022 6.6022 14.9118 14.9118 14.9197 14.9197 15.3812 15.3812 15.3834 15.3834 k = 0.3284 0.5689 0.3116 ( 1356 PWs) bands (ev): -5.3077 -5.3077 -5.3047 -5.3047 2.4934 2.4934 2.4982 2.4982 3.4406 3.4406 3.4448 3.4448 6.5974 6.5974 6.6016 6.6016 14.8970 14.8970 14.9048 14.9048 15.3971 15.3971 15.4001 15.4001 k = 0.3235 0.5604 0.3116 ( 1352 PWs) bands (ev): -5.3098 -5.3098 -5.3069 -5.3069 2.4843 2.4843 2.4890 2.4890 3.4580 3.4580 3.4622 3.4622 6.5956 6.5956 6.5998 6.5998 14.8584 14.8584 14.8661 14.8661 15.4396 15.4396 15.4437 15.4437 k = 0.3186 0.5519 0.3116 ( 1352 PWs) bands (ev): -5.3135 -5.3135 -5.3106 -5.3106 2.4706 2.4706 2.4751 2.4751 3.4856 3.4856 3.4898 3.4898 6.5926 6.5926 6.5967 6.5967 14.8062 14.8062 14.8137 14.8137 15.4989 15.4989 15.5039 15.5039 k = 0.3137 0.5434 0.3116 ( 1348 PWs) bands (ev): -5.3189 -5.3189 -5.3159 -5.3159 2.4538 2.4538 2.4582 2.4582 3.5220 3.5220 3.5261 3.5261 6.5882 6.5882 6.5924 6.5924 14.7477 14.7477 14.7550 14.7550 15.5678 15.5678 15.5734 15.5734 k = 0.3088 0.5349 0.3116 ( 1350 PWs) bands (ev): -5.3258 -5.3258 -5.3230 -5.3230 2.4353 2.4353 2.4396 2.4396 3.5657 3.5657 3.5698 3.5698 6.5826 6.5826 6.5868 6.5868 14.6871 14.6871 14.6942 14.6942 15.6420 15.6420 15.6481 15.6481 k = 0.3039 0.5264 0.3116 ( 1354 PWs) bands (ev): -5.3346 -5.3346 -5.3317 -5.3317 2.4165 2.4165 2.4206 2.4206 3.6156 3.6156 3.6196 3.6196 6.5756 6.5756 6.5799 6.5799 14.6266 14.6266 14.6336 14.6336 15.7192 15.7192 15.7257 15.7257 k = 0.2990 0.5179 0.3116 ( 1358 PWs) bands (ev): -5.3451 -5.3451 -5.3423 -5.3423 2.3984 2.3984 2.4024 2.4024 3.6705 3.6705 3.6745 3.6745 6.5673 6.5673 6.5716 6.5716 14.5677 14.5677 14.5745 14.5745 15.7980 15.7980 15.8049 15.8049 k = 0.2941 0.5094 0.3116 ( 1358 PWs) bands (ev): -5.3574 -5.3574 -5.3547 -5.3547 2.3819 2.3819 2.3857 2.3857 3.7295 3.7295 3.7335 3.7335 6.5577 6.5577 6.5621 6.5621 14.5111 14.5111 14.5177 14.5177 15.8778 15.8778 15.8849 15.8849 k = 0.2892 0.5009 0.3116 ( 1362 PWs) bands (ev): -5.3716 -5.3716 -5.3689 -5.3689 2.3676 2.3676 2.3713 2.3713 3.7920 3.7920 3.7959 3.7959 6.5468 6.5468 6.5513 6.5513 14.4573 14.4573 14.4638 14.4638 15.9578 15.9578 15.9652 15.9652 k = 0.2843 0.4924 0.3116 ( 1354 PWs) bands (ev): -5.3877 -5.3877 -5.3850 -5.3850 2.3562 2.3562 2.3597 2.3597 3.8574 3.8574 3.8613 3.8613 6.5347 6.5347 6.5392 6.5392 14.4066 14.4066 14.4130 14.4130 16.0376 16.0376 16.0452 16.0452 k = 0.2794 0.4840 0.3116 ( 1354 PWs) bands (ev): -5.4056 -5.4056 -5.4030 -5.4030 2.3479 2.3479 2.3514 2.3514 3.9251 3.9251 3.9290 3.9290 6.5214 6.5214 6.5259 6.5259 14.3593 14.3593 14.3656 14.3656 16.1169 16.1169 16.1248 16.1248 k = 0.2745 0.4755 0.3116 ( 1362 PWs) bands (ev): -5.4253 -5.4253 -5.4228 -5.4228 2.3432 2.3432 2.3465 2.3465 3.9947 3.9947 3.9986 3.9986 6.5068 6.5068 6.5114 6.5114 14.3155 14.3155 14.3217 14.3217 16.1955 16.1955 16.2034 16.2034 k = 0.2696 0.4670 0.3116 ( 1358 PWs) bands (ev): -5.4470 -5.4470 -5.4445 -5.4445 2.3422 2.3422 2.3455 2.3455 4.0660 4.0660 4.0699 4.0699 6.4911 6.4911 6.4958 6.4958 14.2753 14.2753 14.2814 14.2814 16.2729 16.2729 16.2810 16.2810 k = 0.2647 0.4585 0.3116 ( 1358 PWs) bands (ev): -5.4704 -5.4704 -5.4680 -5.4680 2.3452 2.3452 2.3483 2.3483 4.1387 4.1387 4.1425 4.1425 6.4744 6.4744 6.4792 6.4792 14.2388 14.2388 14.2448 14.2448 16.3490 16.3490 16.3572 16.3573 k = 0.2598 0.4500 0.3116 ( 1356 PWs) bands (ev): -5.4956 -5.4956 -5.4933 -5.4933 2.3521 2.3521 2.3551 2.3551 4.2124 4.2124 4.2161 4.2161 6.4567 6.4567 6.4616 6.4616 14.2061 14.2061 14.2120 14.2120 16.4234 16.4234 16.4318 16.4318 k = 0.2549 0.4415 0.3116 ( 1352 PWs) bands (ev): -5.5225 -5.5225 -5.5203 -5.5203 2.3631 2.3631 2.3660 2.3660 4.2869 4.2869 4.2906 4.2906 6.4381 6.4381 6.4431 6.4431 14.1771 14.1771 14.1829 14.1829 16.4960 16.4960 16.5045 16.5045 k = 0.2500 0.4330 0.3116 ( 1352 PWs) bands (ev): -5.5510 -5.5510 -5.5489 -5.5489 2.3781 2.3781 2.3810 2.3810 4.3620 4.3620 4.3657 4.3657 6.4187 6.4187 6.4238 6.4238 14.1518 14.1518 14.1576 14.1576 16.5663 16.5663 16.5749 16.5749 k = 0.2451 0.4245 0.3116 ( 1352 PWs) bands (ev): -5.5812 -5.5812 -5.5791 -5.5791 2.3972 2.3972 2.3999 2.3999 4.4375 4.4375 4.4411 4.4411 6.3987 6.3987 6.4039 6.4039 14.1304 14.1304 14.1361 14.1361 16.6342 16.6342 16.6428 16.6428 k = 0.2402 0.4160 0.3116 ( 1356 PWs) bands (ev): -5.6128 -5.6128 -5.6108 -5.6108 2.4202 2.4202 2.4229 2.4229 4.5133 4.5133 4.5167 4.5167 6.3781 6.3781 6.3834 6.3834 14.1126 14.1126 14.1182 14.1182 16.6992 16.6992 16.7079 16.7079 k = 0.2353 0.4075 0.3116 ( 1360 PWs) bands (ev): -5.6458 -5.6458 -5.6439 -5.6439 2.4471 2.4471 2.4497 2.4497 4.5890 4.5890 4.5924 4.5924 6.3571 6.3571 6.3626 6.3626 14.0986 14.0986 14.1041 14.1041 16.7611 16.7611 16.7698 16.7698 k = 0.2304 0.3991 0.3116 ( 1356 PWs) bands (ev): -5.6802 -5.6802 -5.6783 -5.6783 2.4778 2.4778 2.4804 2.4804 4.6646 4.6646 4.6678 4.6678 6.3360 6.3360 6.3416 6.3416 14.0882 14.0882 14.0937 14.0937 16.8195 16.8195 16.8282 16.8282 k = 0.2255 0.3906 0.3116 ( 1356 PWs) bands (ev): -5.7158 -5.7158 -5.7140 -5.7140 2.5122 2.5122 2.5147 2.5147 4.7397 4.7397 4.7429 4.7429 6.3147 6.3147 6.3205 6.3205 14.0815 14.0815 14.0869 14.0869 16.8740 16.8740 16.8827 16.8827 k = 0.2206 0.3821 0.3116 ( 1356 PWs) bands (ev): -5.7524 -5.7524 -5.7507 -5.7507 2.5501 2.5501 2.5525 2.5525 4.8143 4.8143 4.8173 4.8173 6.2937 6.2937 6.2997 6.2997 14.0782 14.0782 14.0837 14.0837 16.9242 16.9242 16.9329 16.9329 k = 0.2157 0.3736 0.3116 ( 1360 PWs) bands (ev): -5.7901 -5.7901 -5.7885 -5.7885 2.5912 2.5912 2.5936 2.5936 4.8881 4.8881 4.8909 4.8909 6.2730 6.2730 6.2792 6.2792 14.0785 14.0785 14.0839 14.0839 16.9698 16.9698 16.9783 16.9783 k = 0.2108 0.3651 0.3116 ( 1360 PWs) bands (ev): -5.8287 -5.8287 -5.8271 -5.8271 2.6355 2.6355 2.6379 2.6379 4.9609 4.9609 4.9635 4.9635 6.2530 6.2530 6.2594 6.2594 14.0822 14.0822 14.0876 14.0876 17.0102 17.0102 17.0187 17.0187 k = 0.2059 0.3566 0.3116 ( 1364 PWs) bands (ev): -5.8680 -5.8680 -5.8665 -5.8665 2.6827 2.6827 2.6850 2.6850 5.0324 5.0324 5.0349 5.0349 6.2339 6.2339 6.2405 6.2405 14.0892 14.0892 14.0945 14.0945 17.0452 17.0452 17.0535 17.0535 k = 0.2010 0.3481 0.3116 ( 1356 PWs) bands (ev): -5.9080 -5.9080 -5.9065 -5.9065 2.7327 2.7327 2.7350 2.7350 5.1025 5.1025 5.1048 5.1048 6.2160 6.2160 6.2228 6.2228 14.0995 14.0995 14.1048 14.1048 17.0744 17.0744 17.0824 17.0824 k = 0.1961 0.3396 0.3116 ( 1356 PWs) bands (ev): -5.9485 -5.9485 -5.9471 -5.9471 2.7850 2.7850 2.7873 2.7873 5.1708 5.1708 5.1729 5.1729 6.1996 6.1996 6.2067 6.2067 14.1129 14.1129 14.1181 14.1181 17.0975 17.0975 17.1052 17.1052 k = 0.1912 0.3311 0.3116 ( 1356 PWs) bands (ev): -5.9895 -5.9895 -5.9882 -5.9882 2.8396 2.8396 2.8418 2.8418 5.2371 5.2371 5.2390 5.2390 6.1851 6.1851 6.1925 6.1925 14.1292 14.1292 14.1344 14.1344 17.1142 17.1142 17.1216 17.1216 k = 0.1863 0.3226 0.3116 ( 1348 PWs) bands (ev): -6.0308 -6.0308 -6.0295 -6.0295 2.8961 2.8961 2.8982 2.8982 5.3011 5.3011 5.3029 5.3029 6.1730 6.1730 6.1807 6.1807 14.1484 14.1484 14.1536 14.1536 17.1246 17.1246 17.1316 17.1316 k = 0.1814 0.3141 0.3116 ( 1344 PWs) bands (ev): -6.0723 -6.0723 -6.0711 -6.0711 2.9542 2.9542 2.9563 2.9563 5.3623 5.3623 5.3641 5.3641 6.1636 6.1636 6.1716 6.1716 14.1702 14.1702 14.1754 14.1754 17.1288 17.1288 17.1353 17.1353 k = 0.1765 0.3057 0.3116 ( 1344 PWs) bands (ev): -6.1140 -6.1140 -6.1127 -6.1127 3.0135 3.0135 3.0156 3.0156 5.4205 5.4205 5.4224 5.4224 6.1573 6.1573 6.1657 6.1657 14.1945 14.1945 14.1996 14.1996 17.1269 17.1269 17.1329 17.1329 k = 0.1716 0.2972 0.3116 ( 1344 PWs) bands (ev): -6.1556 -6.1556 -6.1544 -6.1544 3.0738 3.0738 3.0758 3.0758 5.4752 5.4752 5.4775 5.4775 6.1548 6.1548 6.1635 6.1635 14.2210 14.2210 14.2261 14.2261 17.1194 17.1194 17.1249 17.1249 k = 0.1667 0.2887 0.3116 ( 1342 PWs) bands (ev): -6.1971 -6.1971 -6.1960 -6.1960 3.1347 3.1347 3.1367 3.1367 5.5263 5.5263 5.5289 5.5289 6.1565 6.1565 6.1655 6.1655 14.2495 14.2495 14.2546 14.2546 17.1068 17.1068 17.1118 17.1118 k = 0.1618 0.2802 0.3116 ( 1342 PWs) bands (ev): -6.2384 -6.2384 -6.2373 -6.2373 3.1958 3.1958 3.1977 3.1977 5.5736 5.5736 5.5766 5.5766 6.1627 6.1627 6.1721 6.1721 14.2797 14.2797 14.2847 14.2847 17.0900 17.0900 17.0944 17.0944 k = 0.1569 0.2717 0.3116 ( 1342 PWs) bands (ev): -6.2794 -6.2794 -6.2783 -6.2783 3.2567 3.2567 3.2586 3.2586 5.6170 5.6170 5.6205 5.6205 6.1738 6.1738 6.1833 6.1833 14.3111 14.3111 14.3161 14.3161 17.0696 17.0696 17.0735 17.0735 k = 0.1520 0.2632 0.3116 ( 1338 PWs) bands (ev): -6.3200 -6.3200 -6.3190 -6.3190 3.3172 3.3172 3.3189 3.3189 5.6568 5.6568 5.6607 5.6607 6.1896 6.1896 6.1993 6.1993 14.3435 14.3435 14.3483 14.3483 17.0465 17.0465 17.0501 17.0501 k = 0.1471 0.2547 0.3116 ( 1338 PWs) bands (ev): -6.3602 -6.3602 -6.3592 -6.3592 3.3766 3.3766 3.3783 3.3783 5.6934 5.6934 5.6976 5.6976 6.2101 6.2101 6.2198 6.2198 14.3762 14.3762 14.3810 14.3810 17.0217 17.0217 17.0250 17.0250 k = 0.1422 0.2462 0.3116 ( 1338 PWs) bands (ev): -6.3997 -6.3997 -6.3988 -6.3988 3.4346 3.4346 3.4362 3.4362 5.7275 5.7275 5.7320 5.7320 6.2346 6.2346 6.2443 6.2443 14.4089 14.4089 14.4136 14.4136 16.9962 16.9962 16.9994 16.9994 k = 0.1373 0.2377 0.3116 ( 1338 PWs) bands (ev): -6.4386 -6.4386 -6.4377 -6.4377 3.4909 3.4909 3.4925 3.4925 5.7600 5.7600 5.7647 5.7647 6.2626 6.2626 6.2721 6.2721 14.4408 14.4408 14.4455 14.4455 16.9710 16.9710 16.9743 16.9743 k = 0.1324 0.2292 0.3116 ( 1342 PWs) bands (ev): -6.4768 -6.4768 -6.4759 -6.4759 3.5451 3.5451 3.5465 3.5465 5.7918 5.7918 5.7967 5.7967 6.2932 6.2932 6.3025 6.3025 14.4714 14.4714 14.4760 14.4760 16.9471 16.9471 16.9507 16.9507 k = 0.1275 0.2208 0.3116 ( 1342 PWs) bands (ev): -6.5142 -6.5142 -6.5133 -6.5133 3.5968 3.5968 3.5981 3.5981 5.8238 5.8238 5.8289 5.8289 6.3257 6.3257 6.3347 6.3347 14.4999 14.4999 14.5045 14.5045 16.9256 16.9256 16.9298 16.9298 k = 0.1225 0.2123 0.3116 ( 1336 PWs) bands (ev): -6.5507 -6.5507 -6.5499 -6.5499 3.6456 3.6456 3.6469 3.6469 5.8570 5.8570 5.8621 5.8621 6.3595 6.3595 6.3681 6.3681 14.5256 14.5256 14.5301 14.5301 16.9077 16.9077 16.9124 16.9124 k = 0.1176 0.2038 0.3116 ( 1336 PWs) bands (ev): -6.5863 -6.5863 -6.5855 -6.5855 3.6914 3.6914 3.6925 3.6925 5.8918 5.8918 5.8969 5.8969 6.3937 6.3937 6.4020 6.4020 14.5476 14.5476 14.5522 14.5522 16.8943 16.8943 16.8997 16.8997 k = 0.1127 0.1953 0.3116 ( 1336 PWs) bands (ev): -6.6208 -6.6208 -6.6200 -6.6200 3.7338 3.7338 3.7349 3.7349 5.9287 5.9287 5.9339 5.9339 6.4280 6.4280 6.4359 6.4359 14.5654 14.5654 14.5699 14.5699 16.8864 16.8864 16.8925 16.8925 k = 0.1078 0.1868 0.3116 ( 1336 PWs) bands (ev): -6.6543 -6.6543 -6.6536 -6.6536 3.7728 3.7728 3.7738 3.7738 5.9682 5.9682 5.9734 5.9734 6.4619 6.4619 6.4695 6.4695 14.5781 14.5781 14.5827 14.5827 16.8849 16.8849 16.8917 16.8917 k = 0.1029 0.1783 0.3116 ( 1336 PWs) bands (ev): -6.6867 -6.6867 -6.6860 -6.6860 3.8083 3.8083 3.8092 3.8092 6.0103 6.0103 6.0155 6.0155 6.4951 6.4951 6.5023 6.5023 14.5854 14.5854 14.5900 14.5900 16.8906 16.8906 16.8981 16.8981 k = 0.0980 0.1698 0.3116 ( 1336 PWs) bands (ev): -6.7179 -6.7179 -6.7172 -6.7172 3.8403 3.8403 3.8411 3.8411 6.0550 6.0550 6.0602 6.0602 6.5274 6.5274 6.5342 6.5342 14.5867 14.5867 14.5914 14.5914 16.9039 16.9039 16.9121 16.9121 k = 0.0931 0.1613 0.3116 ( 1340 PWs) bands (ev): -6.7479 -6.7479 -6.7472 -6.7472 3.8688 3.8688 3.8696 3.8696 6.1023 6.1023 6.1074 6.1074 6.5584 6.5584 6.5649 6.5649 14.5820 14.5820 14.5867 14.5867 16.9252 16.9252 16.9340 16.9340 k = 0.0882 0.1528 0.3116 ( 1344 PWs) bands (ev): -6.7766 -6.7766 -6.7759 -6.7759 3.8940 3.8940 3.8947 3.8947 6.1518 6.1518 6.1569 6.1569 6.5882 6.5882 6.5942 6.5942 14.5712 14.5712 14.5759 14.5759 16.9545 16.9545 16.9639 16.9639 k = 0.0833 0.1443 0.3116 ( 1344 PWs) bands (ev): -6.8040 -6.8040 -6.8034 -6.8034 3.9160 3.9160 3.9167 3.9167 6.2033 6.2033 6.2083 6.2083 6.6165 6.6165 6.6222 6.6222 14.5548 14.5548 14.5595 14.5595 16.9917 16.9917 17.0016 17.0016 k = 0.0784 0.1358 0.3116 ( 1340 PWs) bands (ev): -6.8300 -6.8300 -6.8294 -6.8294 3.9351 3.9351 3.9357 3.9357 6.2564 6.2564 6.2612 6.2612 6.6433 6.6433 6.6487 6.6487 14.5331 14.5331 14.5377 14.5377 17.0364 17.0364 17.0467 17.0467 k = 0.0735 0.1274 0.3116 ( 1344 PWs) bands (ev): -6.8546 -6.8546 -6.8541 -6.8541 3.9515 3.9515 3.9520 3.9520 6.3103 6.3103 6.3150 6.3150 6.6685 6.6685 6.6735 6.6735 14.5067 14.5067 14.5113 14.5113 17.0880 17.0880 17.0986 17.0986 k = 0.0686 0.1189 0.3116 ( 1346 PWs) bands (ev): -6.8778 -6.8778 -6.8773 -6.8773 3.9654 3.9654 3.9659 3.9659 6.3646 6.3646 6.3692 6.3692 6.6921 6.6921 6.6968 6.6968 14.4765 14.4765 14.4809 14.4809 17.1457 17.1457 17.1566 17.1566 k = 0.0637 0.1104 0.3116 ( 1346 PWs) bands (ev): -6.8996 -6.8996 -6.8991 -6.8991 3.9771 3.9771 3.9776 3.9776 6.4188 6.4188 6.4232 6.4232 6.7141 6.7141 6.7184 6.7184 14.4433 14.4433 14.4475 14.4475 17.2087 17.2087 17.2198 17.2198 k = 0.0588 0.1019 0.3116 ( 1350 PWs) bands (ev): -6.9198 -6.9198 -6.9194 -6.9194 3.9869 3.9869 3.9873 3.9873 6.4723 6.4723 6.4764 6.4764 6.7344 6.7344 6.7384 6.7384 14.4079 14.4079 14.4120 14.4120 17.2761 17.2761 17.2872 17.2872 k = 0.0539 0.0934 0.3116 ( 1350 PWs) bands (ev): -6.9385 -6.9385 -6.9381 -6.9381 3.9949 3.9949 3.9953 3.9953 6.5243 6.5243 6.5282 6.5282 6.7531 6.7531 6.7568 6.7568 14.3713 14.3713 14.3752 14.3752 17.3467 17.3467 17.3578 17.3578 k = 0.0490 0.0849 0.3116 ( 1346 PWs) bands (ev): -6.9557 -6.9557 -6.9553 -6.9553 4.0015 4.0015 4.0018 4.0018 6.5744 6.5744 6.5781 6.5781 6.7703 6.7703 6.7736 6.7736 14.3344 14.3344 14.3380 14.3380 17.4196 17.4196 17.4306 17.4306 k = 0.0441 0.0764 0.3116 ( 1350 PWs) bands (ev): -6.9713 -6.9713 -6.9710 -6.9710 4.0068 4.0068 4.0071 4.0071 6.6219 6.6219 6.6253 6.6253 6.7856 6.7856 6.7886 6.7886 14.2981 14.2981 14.3014 14.3014 17.4934 17.4934 17.5042 17.5042 k = 0.0392 0.0679 0.3116 ( 1350 PWs) bands (ev): -6.9853 -6.9853 -6.9850 -6.9850 4.0111 4.0111 4.0113 4.0113 6.6662 6.6662 6.6693 6.6693 6.7994 6.7994 6.8021 6.8021 14.2632 14.2632 14.2662 14.2662 17.5670 17.5670 17.5775 17.5775 k = 0.0343 0.0594 0.3116 ( 1356 PWs) bands (ev): -6.9977 -6.9977 -6.9975 -6.9975 4.0144 4.0144 4.0146 4.0146 6.7067 6.7067 6.7094 6.7094 6.8116 6.8116 6.8139 6.8139 14.2304 14.2304 14.2331 14.2331 17.6389 17.6389 17.6489 17.6489 k = 0.0294 0.0509 0.3116 ( 1360 PWs) bands (ev): -7.0085 -7.0085 -7.0083 -7.0083 4.0170 4.0170 4.0172 4.0172 6.7429 6.7429 6.7453 6.7453 6.8223 6.8223 6.8242 6.8242 14.2005 14.2005 14.2028 14.2028 17.7076 17.7076 17.7169 17.7169 k = 0.0245 0.0425 0.3116 ( 1354 PWs) bands (ev): -7.0176 -7.0176 -7.0174 -7.0174 4.0190 4.0190 4.0191 4.0191 6.7745 6.7745 6.7765 6.7765 6.8314 6.8314 6.8330 6.8330 14.1741 14.1741 14.1760 14.1760 17.7713 17.7713 17.7797 17.7797 k = 0.0196 0.0340 0.3116 ( 1358 PWs) bands (ev): -7.0251 -7.0251 -7.0250 -7.0250 4.0205 4.0205 4.0206 4.0206 6.8006 6.8006 6.8022 6.8022 6.8391 6.8391 6.8404 6.8404 14.1517 14.1517 14.1533 14.1533 17.8281 17.8281 17.8354 17.8354 k = 0.0147 0.0255 0.3116 ( 1358 PWs) bands (ev): -7.0310 -7.0310 -7.0308 -7.0308 4.0216 4.0216 4.0216 4.0216 6.8208 6.8208 6.8220 6.8220 6.8457 6.8457 6.8465 6.8465 14.1339 14.1339 14.1351 14.1351 17.8759 17.8759 17.8817 17.8817 k = 0.0098 0.0170 0.3116 ( 1354 PWs) bands (ev): -7.0351 -7.0351 -7.0350 -7.0350 4.0223 4.0223 4.0223 4.0223 6.8346 6.8346 6.8353 6.8353 6.8516 6.8516 6.8519 6.8519 14.1210 14.1210 14.1218 14.1218 17.9124 17.9124 17.9165 17.9165 k = 0.0049 0.0085 0.3116 ( 1350 PWs) bands (ev): -7.0376 -7.0376 -7.0376 -7.0376 4.0227 4.0227 4.0228 4.0228 6.8418 6.8418 6.8421 6.8421 6.8563 6.8563 6.8563 6.8563 14.1132 14.1132 14.1136 14.1136 17.9358 17.9358 17.9379 17.9379 k = 0.0000 0.0000 0.3116 ( 1352 PWs) bands (ev): -7.0384 -7.0384 -7.0384 -7.0384 4.0229 4.0229 4.0229 4.0229 6.8440 6.8440 6.8440 6.8440 6.8581 6.8581 6.8581 6.8581 14.1107 14.1107 14.1107 14.1107 17.9444 17.9444 17.9444 17.9444 k = 0.5000 0.2887 0.3116 ( 1348 PWs) bands (ev): -5.5207 -5.5207 -5.5207 -5.5207 1.6958 1.6958 1.6958 1.6958 5.9134 5.9134 5.9134 5.9134 6.0133 6.0133 6.0133 6.0133 12.8076 12.8076 12.8076 12.8076 16.8379 16.8379 16.8379 16.8379 k = 0.5000 0.2887 0.3019 ( 1348 PWs) bands (ev): -5.5388 -5.5388 -5.5027 -5.5027 1.6684 1.6684 1.7261 1.7261 5.8793 5.8793 5.9475 5.9475 5.9541 5.9541 6.0684 6.0684 12.7506 12.7506 12.8662 12.8662 16.7804 16.7804 16.9002 16.9002 k = 0.5000 0.2887 0.2922 ( 1348 PWs) bands (ev): -5.5570 -5.5570 -5.4849 -5.4849 1.6439 1.6439 1.7592 1.7592 5.8456 5.8456 5.8902 5.8902 5.9825 5.9825 6.1186 6.1186 12.6964 12.6964 12.9256 12.9256 16.7287 16.7287 16.9660 16.9660 k = 0.5000 0.2887 0.2824 ( 1350 PWs) bands (ev): -5.5752 -5.5752 -5.4673 -5.4673 1.6223 1.6223 1.7950 1.7950 5.8115 5.8115 5.8238 5.8238 6.0174 6.0174 6.1634 6.1634 12.6456 12.6456 12.9849 12.9849 16.6836 16.6836 17.0339 17.0339 k = 0.5000 0.2887 0.2727 ( 1350 PWs) bands (ev): -5.5934 -5.5934 -5.4500 -5.4500 1.6037 1.6037 1.8336 1.8336 5.7514 5.7514 5.7807 5.7807 6.0523 6.0523 6.2028 6.2028 12.5991 12.5991 13.0430 13.0430 16.6462 16.6462 17.1024 17.1024 k = 0.5000 0.2887 0.2629 ( 1356 PWs) bands (ev): -5.6115 -5.6115 -5.4330 -5.4330 1.5881 1.5881 1.8748 1.8748 5.6781 5.6781 5.7484 5.7484 6.0874 6.0874 6.2361 6.2361 12.5577 12.5577 13.0991 13.0991 16.6170 16.6170 17.1695 17.1695 k = 0.5000 0.2887 0.2532 ( 1360 PWs) bands (ev): -5.6294 -5.6294 -5.4164 -5.4164 1.5755 1.5755 1.9185 1.9185 5.6022 5.6022 5.7171 5.7171 6.1224 6.1224 6.2631 6.2631 12.5219 12.5219 13.1521 13.1521 16.5967 16.5967 17.2328 17.2328 k = 0.5000 0.2887 0.2435 ( 1360 PWs) bands (ev): -5.6472 -5.6472 -5.4002 -5.4002 1.5657 1.5657 1.9646 1.9646 5.5242 5.5242 5.6865 5.6865 6.1572 6.1572 6.2838 6.2838 12.4924 12.4924 13.2015 13.2015 16.5859 16.5859 17.2894 17.2894 k = 0.5000 0.2887 0.2337 ( 1366 PWs) bands (ev): -5.6648 -5.6648 -5.3844 -5.3844 1.5589 1.5589 2.0130 2.0130 5.4445 5.4445 5.6568 5.6568 6.1917 6.1917 6.2978 6.2978 12.4696 12.4696 13.2464 13.2464 16.5849 16.5849 17.3359 17.3359 k = 0.5000 0.2887 0.2240 ( 1366 PWs) bands (ev): -5.6821 -5.6821 -5.3691 -5.3691 1.5550 1.5550 2.0636 2.0636 5.3634 5.3634 5.6279 5.6279 6.2259 6.2259 6.3052 6.3052 12.4538 12.4538 13.2863 13.2863 16.5939 16.5939 17.3686 17.3686 k = 0.5000 0.2887 0.2142 ( 1366 PWs) bands (ev): -5.6990 -5.6990 -5.3543 -5.3543 1.5539 1.5539 2.1162 2.1162 5.2814 5.2814 5.6000 5.6000 6.2595 6.2595 6.3060 6.3060 12.4453 12.4453 13.3209 13.3209 16.6130 16.6130 17.3841 17.3841 k = 0.5000 0.2887 0.2045 ( 1366 PWs) bands (ev): -5.7156 -5.7156 -5.3400 -5.3400 1.5555 1.5555 2.1707 2.1707 5.1987 5.1987 5.5729 5.5729 6.2902 6.2902 6.3027 6.3027 12.4442 12.4442 13.3501 13.3501 16.6418 16.6418 17.3797 17.3797 k = 0.5000 0.2887 0.1948 ( 1366 PWs) bands (ev): -5.7317 -5.7317 -5.3263 -5.3263 1.5597 1.5597 2.2269 2.2269 5.1158 5.1158 5.5469 5.5469 6.2862 6.2862 6.3270 6.3270 12.4506 12.4506 13.3737 13.3737 16.6800 16.6800 17.3547 17.3547 k = 0.5000 0.2887 0.1850 ( 1370 PWs) bands (ev): -5.7474 -5.7474 -5.3131 -5.3131 1.5665 1.5665 2.2846 2.2846 5.0329 5.0329 5.5219 5.5219 6.2680 6.2680 6.3586 6.3586 12.4644 12.4644 13.3920 13.3920 16.7270 16.7270 17.3100 17.3100 k = 0.5000 0.2887 0.1753 ( 1368 PWs) bands (ev): -5.7625 -5.7625 -5.3006 -5.3006 1.5757 1.5757 2.3436 2.3436 4.9505 4.9505 5.4980 5.4980 6.2437 6.2437 6.3897 6.3897 12.4852 12.4852 13.4054 13.4054 16.7821 16.7821 17.2481 17.2481 k = 0.5000 0.2887 0.1656 ( 1368 PWs) bands (ev): -5.7771 -5.7771 -5.2887 -5.2887 1.5872 1.5872 2.4037 2.4037 4.8689 4.8689 5.4752 5.4752 6.2140 6.2140 6.4199 6.4199 12.5129 12.5129 13.4141 13.4141 16.8443 16.8443 17.1719 17.1719 k = 0.5000 0.2887 0.1558 ( 1366 PWs) bands (ev): -5.7911 -5.7911 -5.2774 -5.2774 1.6007 1.6007 2.4645 2.4645 4.7884 4.7884 5.4535 5.4535 6.1794 6.1794 6.4491 6.4491 12.5470 12.5470 13.4188 13.4188 16.9126 16.9126 17.0847 17.0847 k = 0.5000 0.2887 0.1461 ( 1362 PWs) bands (ev): -5.8044 -5.8044 -5.2668 -5.2668 1.6160 1.6160 2.5258 2.5258 4.7094 4.7094 5.4330 5.4330 6.1406 6.1406 6.4772 6.4772 12.5871 12.5871 13.4200 13.4200 16.9857 16.9857 16.9896 16.9896 k = 0.5000 0.2887 0.1363 ( 1358 PWs) bands (ev): -5.8171 -5.8171 -5.2569 -5.2569 1.6331 1.6331 2.5873 2.5873 4.6323 4.6323 5.4137 5.4137 6.0982 6.0982 6.5040 6.5040 12.6325 12.6325 13.4183 13.4183 16.8883 16.8883 17.0633 17.0633 k = 0.5000 0.2887 0.1266 ( 1358 PWs) bands (ev): -5.8290 -5.8290 -5.2476 -5.2476 1.6515 1.6515 2.6485 2.6485 4.5574 4.5574 5.3955 5.3955 6.0529 6.0529 6.5295 6.5295 12.6825 12.6825 13.4142 13.4142 16.7836 16.7836 17.1433 17.1433 k = 0.5000 0.2887 0.1169 ( 1358 PWs) bands (ev): -5.8402 -5.8402 -5.2390 -5.2390 1.6709 1.6709 2.7091 2.7091 4.4853 4.4853 5.3787 5.3787 6.0054 6.0054 6.5536 6.5536 12.7365 12.7365 13.4083 13.4083 16.6773 16.6773 17.2248 17.2248 k = 0.5000 0.2887 0.1071 ( 1360 PWs) bands (ev): -5.8506 -5.8506 -5.2311 -5.2311 1.6912 1.6912 2.7685 2.7685 4.4162 4.4162 5.3631 5.3631 5.9565 5.9565 6.5761 6.5761 12.7935 12.7935 13.4010 13.4010 16.5707 16.5707 17.3067 17.3067 k = 0.5000 0.2887 0.0974 ( 1360 PWs) bands (ev): -5.8602 -5.8602 -5.2239 -5.2239 1.7118 1.7118 2.8263 2.8263 4.3507 4.3507 5.3487 5.3487 5.9072 5.9072 6.5970 6.5970 12.8525 12.8525 13.3930 13.3930 16.4656 16.4656 17.3876 17.3876 k = 0.5000 0.2887 0.0876 ( 1360 PWs) bands (ev): -5.8689 -5.8689 -5.2173 -5.2173 1.7325 1.7325 2.8818 2.8818 4.2892 4.2892 5.3357 5.3357 5.8583 5.8583 6.6162 6.6162 12.9125 12.9125 13.3846 13.3846 16.3633 16.3633 17.4664 17.4664 k = 0.5000 0.2887 0.0779 ( 1360 PWs) bands (ev): -5.8768 -5.8768 -5.2115 -5.2115 1.7527 1.7527 2.9345 2.9345 4.2322 4.2322 5.3241 5.3241 5.8108 5.8108 6.6336 6.6336 12.9723 12.9723 13.3761 13.3761 16.2653 16.2653 17.5418 17.5418 k = 0.5000 0.2887 0.0682 ( 1356 PWs) bands (ev): -5.8838 -5.8838 -5.2063 -5.2063 1.7721 1.7721 2.9836 2.9836 4.1803 4.1803 5.3137 5.3137 5.7656 5.7656 6.6492 6.6492 13.0307 13.0307 13.3679 13.3679 16.1731 16.1731 17.6125 17.6125 k = 0.5000 0.2887 0.0584 ( 1356 PWs) bands (ev): -5.8900 -5.8900 -5.2019 -5.2019 1.7902 1.7902 3.0283 3.0283 4.1339 4.1339 5.3047 5.3047 5.7237 5.7237 6.6628 6.6628 13.0860 13.0860 13.3602 13.3602 16.0882 16.0882 17.6773 17.6773 k = 0.5000 0.2887 0.0487 ( 1356 PWs) bands (ev): -5.8952 -5.8952 -5.1981 -5.1981 1.8065 1.8065 3.0680 3.0680 4.0936 4.0936 5.2971 5.2971 5.6862 5.6862 6.6744 6.6744 13.1369 13.1369 13.3534 13.3534 16.0124 16.0124 17.7348 17.7348 k = 0.5000 0.2887 0.0390 ( 1356 PWs) bands (ev): -5.8994 -5.8994 -5.1950 -5.1950 1.8206 1.8206 3.1017 3.1017 4.0598 4.0598 5.2909 5.2909 5.6538 5.6538 6.6840 6.6840 13.1815 13.1815 13.3475 13.3475 15.9472 15.9472 17.7840 17.7840 k = 0.5000 0.2887 0.0292 ( 1352 PWs) bands (ev): -5.9028 -5.9028 -5.1926 -5.1926 1.8320 1.8320 3.1289 3.1289 4.0330 4.0330 5.2860 5.2860 5.6276 5.6276 6.6917 6.6917 13.2184 13.2184 13.3428 13.3428 15.8943 15.8943 17.8236 17.8236 k = 0.5000 0.2887 0.0195 ( 1348 PWs) bands (ev): -5.9052 -5.9052 -5.1909 -5.1909 1.8405 1.8405 3.1488 3.1488 4.0136 4.0136 5.2826 5.2826 5.6084 5.6084 6.6971 6.6971 13.2461 13.2461 13.3394 13.3394 15.8552 15.8552 17.8527 17.8527 k = 0.5000 0.2887 0.0097 ( 1348 PWs) bands (ev): -5.9066 -5.9066 -5.1899 -5.1899 1.8457 1.8457 3.1610 3.1610 4.0018 4.0018 5.2805 5.2805 5.5965 5.5965 6.7003 6.7003 13.2632 13.2632 13.3373 13.3373 15.8312 15.8312 17.8705 17.8705 k = 0.5000 0.2887-0.0000 ( 1344 PWs) bands (ev): -5.9071 -5.9071 -5.1895 -5.1895 1.8475 1.8475 3.1652 3.1652 3.9979 3.9979 5.2798 5.2798 5.5925 5.5925 6.7014 6.7014 13.2690 13.2690 13.3366 13.3366 15.8232 15.8232 17.8765 17.8765 k = 0.3333 0.5774-0.0000 ( 1362 PWs) bands (ev): -5.3574 -5.3540 -5.3527 -5.3527 2.4629 2.4629 3.5729 3.5736 3.5794 3.5794 4.8742 4.8742 4.9757 4.9825 4.9825 4.9844 12.4766 12.4766 15.8910 15.8910 17.2414 17.2476 17.2503 17.2503 k = 0.3333 0.5774 0.0097 ( 1362 PWs) bands (ev): -5.3572 -5.3539 -5.3525 -5.3525 2.4639 2.4639 3.5677 3.5684 3.5742 3.5742 4.8719 4.8719 4.9820 4.9888 4.9888 4.9906 12.4805 12.4805 15.8905 15.8905 17.2354 17.2416 17.2443 17.2443 k = 0.3333 0.5774 0.0195 ( 1362 PWs) bands (ev): -5.3569 -5.3535 -5.3522 -5.3522 2.4669 2.4669 3.5526 3.5533 3.5591 3.5591 4.8651 4.8651 5.0006 5.0073 5.0073 5.0091 12.4919 12.4919 15.8892 15.8892 17.2176 17.2237 17.2263 17.2263 k = 0.3333 0.5774 0.0292 ( 1362 PWs) bands (ev): -5.3563 -5.3530 -5.3516 -5.3516 2.4720 2.4720 3.5282 3.5291 3.5347 3.5347 4.8538 4.8538 5.0306 5.0373 5.0373 5.0390 12.5109 12.5109 15.8869 15.8869 17.1885 17.1944 17.1970 17.1970 k = 0.3333 0.5774 0.0390 ( 1362 PWs) bands (ev): -5.3555 -5.3522 -5.3508 -5.3508 2.4792 2.4792 3.4960 3.4970 3.5024 3.5024 4.8381 4.8381 5.0708 5.0774 5.0774 5.0790 12.5374 12.5374 15.8837 15.8837 17.1488 17.1544 17.1570 17.1570 k = 0.3333 0.5774 0.0487 ( 1368 PWs) bands (ev): -5.3545 -5.3512 -5.3498 -5.3498 2.4883 2.4883 3.4572 3.4583 3.4636 3.4636 4.8180 4.8180 5.1196 5.1262 5.1262 5.1276 12.5711 12.5711 15.8794 15.8794 17.0993 17.1047 17.1073 17.1073 k = 0.3333 0.5774 0.0584 ( 1359 PWs) bands (ev): -5.3533 -5.3500 -5.3486 -5.3486 2.4995 2.4995 3.4133 3.4146 3.4196 3.4196 4.7938 4.7938 5.1759 5.1824 5.1824 5.1836 12.6118 12.6118 15.8741 15.8741 17.0413 17.0463 17.0489 17.0489 k = 0.3333 0.5774 0.0682 ( 1359 PWs) bands (ev): -5.3518 -5.3487 -5.3472 -5.3472 2.5127 2.5127 3.3655 3.3669 3.3718 3.3718 4.7656 4.7656 5.2379 5.2444 5.2444 5.2453 12.6594 12.6594 15.8676 15.8676 16.9757 16.9804 16.9830 16.9830 k = 0.3333 0.5774 0.0779 ( 1362 PWs) bands (ev): -5.3502 -5.3471 -5.3457 -5.3457 2.5279 2.5279 3.3150 3.3165 3.3213 3.3213 4.7336 4.7336 5.3045 5.3110 5.3110 5.3117 12.7135 12.7135 15.8600 15.8600 16.9037 16.9081 16.9106 16.9106 k = 0.3333 0.5774 0.0876 ( 1368 PWs) bands (ev): -5.3484 -5.3454 -5.3439 -5.3439 2.5451 2.5451 3.2627 3.2644 3.2690 3.2690 4.6980 4.6980 5.3747 5.3812 5.3812 5.3817 12.7739 12.7739 15.8510 15.8510 16.8263 16.8305 16.8329 16.8329 k = 0.3333 0.5774 0.0974 ( 1362 PWs) bands (ev): -5.3465 -5.3435 -5.3420 -5.3420 2.5643 2.5643 3.2095 3.2112 3.2157 3.2157 4.6592 4.6592 5.4477 5.4541 5.4541 5.4544 12.8401 12.8401 15.8406 15.8406 16.7447 16.7487 16.7510 16.7510 k = 0.3333 0.5774 0.1071 ( 1362 PWs) bands (ev): -5.3444 -5.3415 -5.3400 -5.3400 2.5855 2.5855 3.1561 3.1578 3.1622 3.1622 4.6173 4.6173 5.5224 5.5288 5.5288 5.5288 12.9119 12.9119 15.8286 15.8286 16.6599 16.6636 16.6659 16.6659 k = 0.3333 0.5774 0.1169 ( 1362 PWs) bands (ev): -5.3422 -5.3394 -5.3378 -5.3378 2.6086 2.6086 3.1029 3.1047 3.1090 3.1090 4.5726 4.5726 5.5982 5.6044 5.6046 5.6046 12.9887 12.9887 15.8149 15.8149 16.5727 16.5761 16.5784 16.5784 k = 0.3333 0.5774 0.1266 ( 1365 PWs) bands (ev): -5.3400 -5.3372 -5.3356 -5.3356 2.6336 2.6336 3.0504 3.0522 3.0565 3.0565 4.5253 4.5253 5.6745 5.6805 5.6808 5.6808 13.0703 13.0703 15.7994 15.7994 16.4840 16.4872 16.4894 16.4894 k = 0.3333 0.5774 0.1363 ( 1365 PWs) bands (ev): -5.3376 -5.3350 -5.3333 -5.3333 2.6606 2.6606 2.9991 3.0009 3.0051 3.0051 4.4757 4.4757 5.7507 5.7564 5.7570 5.7570 13.1562 13.1562 15.7818 15.7818 16.3947 16.3978 16.3999 16.3999 k = 0.3333 0.5774 0.1461 ( 1359 PWs) bands (ev): -5.3352 -5.3327 -5.3309 -5.3309 2.6895 2.6895 2.9492 2.9510 2.9552 2.9552 4.4241 4.4241 5.8263 5.8318 5.8325 5.8325 13.2460 13.2460 15.7621 15.7621 16.3055 16.3084 16.3105 16.3105 k = 0.3333 0.5774 0.1558 ( 1353 PWs) bands (ev): -5.3328 -5.3304 -5.3286 -5.3286 2.7202 2.7202 2.9012 2.9029 2.9070 2.9070 4.3707 4.3707 5.9007 5.9060 5.9069 5.9069 13.3391 13.3391 15.7400 15.7400 16.2172 16.2199 16.2219 16.2219 k = 0.3333 0.5774 0.1656 ( 1353 PWs) bands (ev): -5.3303 -5.3280 -5.3262 -5.3262 2.7528 2.7528 2.8550 2.8567 2.8609 2.8609 4.3156 4.3156 5.9735 5.9785 5.9796 5.9796 13.4353 13.4353 15.7153 15.7153 16.1304 16.1330 16.1349 16.1349 k = 0.3333 0.5774 0.1753 ( 1353 PWs) bands (ev): -5.3279 -5.3257 -5.3238 -5.3238 2.7871 2.7871 2.8111 2.8127 2.8169 2.8169 4.2593 4.2593 6.0442 6.0489 6.0503 6.0503 13.5339 13.5339 15.6878 15.6878 16.0458 16.0483 16.0501 16.0501 k = 0.3333 0.5774 0.1850 ( 1356 PWs) bands (ev): -5.3255 -5.3235 -5.3215 -5.3215 2.7695 2.7711 2.7752 2.7752 2.8234 2.8234 4.2018 4.2018 6.1124 6.1169 6.1184 6.1184 13.6346 13.6346 15.6573 15.6573 15.9640 15.9663 15.9681 15.9681 k = 0.3333 0.5774 0.1948 ( 1362 PWs) bands (ev): -5.3232 -5.3213 -5.3192 -5.3192 2.7305 2.7320 2.7361 2.7361 2.8613 2.8613 4.1434 4.1434 6.1776 6.1818 6.1835 6.1835 13.7369 13.7369 15.6236 15.6236 15.8856 15.8878 15.8895 15.8895 k = 0.3333 0.5774 0.2045 ( 1362 PWs) bands (ev): -5.3209 -5.3192 -5.3170 -5.3170 2.6942 2.6956 2.6997 2.6997 2.9009 2.9009 4.0843 4.0843 6.2395 6.2433 6.2452 6.2452 13.8402 13.8402 15.5865 15.5865 15.8112 15.8132 15.8150 15.8150 k = 0.3333 0.5774 0.2142 ( 1362 PWs) bands (ev): -5.3188 -5.3172 -5.3150 -5.3150 2.6607 2.6620 2.6661 2.6661 2.9422 2.9422 4.0247 4.0247 6.2975 6.3011 6.3032 6.3032 13.9441 13.9441 15.5459 15.5459 15.7413 15.7431 15.7449 15.7449 k = 0.3333 0.5774 0.2240 ( 1362 PWs) bands (ev): -5.3168 -5.3153 -5.3130 -5.3130 2.6300 2.6312 2.6354 2.6354 2.9852 2.9852 3.9649 3.9649 6.3515 6.3547 6.3570 6.3570 14.0481 14.0481 15.5015 15.5015 15.6764 15.6780 15.6798 15.6798 k = 0.3333 0.5774 0.2337 ( 1371 PWs) bands (ev): -5.3149 -5.3136 -5.3112 -5.3112 2.6024 2.6034 2.6077 2.6077 3.0297 3.0297 3.9048 3.9048 6.4008 6.4037 6.4063 6.4063 14.1518 14.1518 15.4531 15.4531 15.6169 15.6184 15.6201 15.6201 k = 0.3333 0.5774 0.2435 ( 1371 PWs) bands (ev): -5.3132 -5.3120 -5.3096 -5.3096 2.5778 2.5787 2.5831 2.5831 3.0758 3.0758 3.8447 3.8447 6.4454 6.4479 6.4507 6.4507 14.2546 14.2546 15.4007 15.4007 15.5633 15.5647 15.5664 15.5664 k = 0.3333 0.5774 0.2532 ( 1371 PWs) bands (ev): -5.3117 -5.3107 -5.3082 -5.3082 2.5564 2.5572 2.5616 2.5616 3.1234 3.1234 3.7849 3.7849 6.4847 6.4869 6.4898 6.4898 14.3562 14.3562 15.3442 15.3442 15.5160 15.5172 15.5190 15.5190 k = 0.3333 0.5774 0.2629 ( 1365 PWs) bands (ev): -5.3103 -5.3095 -5.3069 -5.3069 2.5382 2.5389 2.5433 2.5433 3.1724 3.1724 3.7254 3.7254 6.5186 6.5205 6.5236 6.5236 14.4561 14.4561 15.2834 15.2834 15.4754 15.4764 15.4783 15.4783 k = 0.3333 0.5774 0.2727 ( 1356 PWs) bands (ev): -5.3092 -5.3085 -5.3059 -5.3059 2.5233 2.5238 2.5283 2.5283 3.2228 3.2228 3.6663 3.6663 6.5468 6.5483 6.5516 6.5516 14.5538 14.5538 15.2183 15.2183 15.4418 15.4426 15.4445 15.4445 k = 0.3333 0.5774 0.2824 ( 1350 PWs) bands (ev): -5.3083 -5.3078 -5.3051 -5.3051 2.5116 2.5121 2.5166 2.5166 3.2745 3.2745 3.6078 3.6078 6.5690 6.5701 6.5737 6.5737 14.6490 14.6490 15.1490 15.1490 15.4154 15.4160 15.4179 15.4179 k = 0.3333 0.5774 0.2922 ( 1356 PWs) bands (ev): -5.3076 -5.3073 -5.3045 -5.3045 2.5033 2.5036 2.5082 2.5082 3.3274 3.3274 3.5499 3.5499 6.5849 6.5857 6.5894 6.5894 14.7412 14.7412 15.0752 15.0752 15.3963 15.3967 15.3988 15.3988 k = 0.3333 0.5774 0.3019 ( 1356 PWs) bands (ev): -5.3072 -5.3070 -5.3041 -5.3041 2.4983 2.4985 2.5031 2.5031 3.3815 3.3815 3.4929 3.4929 6.5947 6.5950 6.5990 6.5990 14.8302 14.8302 14.9976 14.9976 15.3849 15.3851 15.3872 15.3872 k = 0.3333 0.5774 0.3116 ( 1356 PWs) bands (ev): -5.3070 -5.3070 -5.3040 -5.3040 2.4967 2.4967 2.5015 2.5015 3.4346 3.4346 3.4388 3.4388 6.5980 6.5980 6.6022 6.6022 14.9118 14.9118 14.9197 14.9197 15.3812 15.3812 15.3834 15.3834 Writing output data file AlN.save init_run : 1.39s CPU 11.88s WALL ( 1 calls) electrons : 118.18s CPU 122.38s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.15s WALL ( 1 calls) potinit : 0.44s CPU 1.54s WALL ( 1 calls) Called by electrons: c_bands : 118.15s CPU 122.04s WALL ( 1 calls) v_of_rho : 0.13s CPU 0.77s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.12s CPU 0.51s WALL ( 1 calls) newd : 0.07s CPU 0.37s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.03s WALL ( 427 calls) cegterg : 106.36s CPU 107.09s WALL ( 732 calls) Called by sum_band: Called by *egterg: h_psi : 51.34s CPU 55.72s WALL ( 11204 calls) s_psi : 1.40s CPU 2.66s WALL ( 11204 calls) g_psi : 0.05s CPU 0.16s WALL ( 10045 calls) cdiaghg : 36.81s CPU 35.42s WALL ( 10472 calls) cegterg:over : 10.26s CPU 8.36s WALL ( 10045 calls) cegterg:upda : 0.23s CPU 1.04s WALL ( 10045 calls) cegterg:last : 0.23s CPU 0.77s WALL ( 2034 calls) Called by h_psi: h_psi:vloc : 42.33s CPU 47.26s WALL ( 11204 calls) h_psi:vnl : 8.98s CPU 8.31s WALL ( 11204 calls) add_vuspsi : 0.65s CPU 1.94s WALL ( 11204 calls) General routines calbec : 8.32s CPU 6.27s WALL ( 11204 calls) fft : 0.40s CPU 1.49s WALL ( 19 calls) ffts : 0.00s CPU 0.03s WALL ( 4 calls) fftw : 40.63s CPU 44.58s WALL ( 615956 calls) interpolate : 0.08s CPU 0.11s WALL ( 4 calls) davcio : 0.03s CPU 0.67s WALL ( 854 calls) Parallel routines fft_scatter : 30.13s CPU 32.10s WALL ( 615979 calls) PWSCF : 2m24.25s CPU 3m21.62s WALL This run was terminated on: 4:38:53 19Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=