Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:55:41 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Si2Ni.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 23 17 5 452 281 49 Max 24 18 6 456 294 52 Sum 847 637 199 16361 10417 1807 bravais-lattice index = 14 lattice parameter (alat) = 7.2090 a.u. unit-cell volume = 264.9176 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 236.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.209004 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 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) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ni 10.00 58.69340 Ni( 1.00) Si 4.00 28.08550 Si( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 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) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 389 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025707 k( 2) = ( 0.0084746 -0.0048928 0.0069195), wk = 0.0025707 k( 3) = ( 0.0169491 -0.0097856 0.0138389), wk = 0.0025707 k( 4) = ( 0.0254237 -0.0146784 0.0207584), wk = 0.0025707 k( 5) = ( 0.0338983 -0.0195712 0.0276779), wk = 0.0025707 k( 6) = ( 0.0423729 -0.0244640 0.0345973), wk = 0.0025707 k( 7) = ( 0.0508475 -0.0293568 0.0415168), wk = 0.0025707 k( 8) = ( 0.0593220 -0.0342496 0.0484362), wk = 0.0025707 k( 9) = ( 0.0677966 -0.0391424 0.0553557), wk = 0.0025707 k( 10) = ( 0.0762712 -0.0440352 0.0622752), wk = 0.0025707 k( 11) = ( 0.0847458 -0.0489280 0.0691946), wk = 0.0025707 k( 12) = ( 0.0932203 -0.0538208 0.0761141), wk = 0.0025707 k( 13) = ( 0.1016949 -0.0587136 0.0830336), wk = 0.0025707 k( 14) = ( 0.1101695 -0.0636064 0.0899530), wk = 0.0025707 k( 15) = ( 0.1186441 -0.0684992 0.0968725), wk = 0.0025707 k( 16) = ( 0.1271186 -0.0733920 0.1037919), wk = 0.0025707 k( 17) = ( 0.1355932 -0.0782848 0.1107114), wk = 0.0025707 k( 18) = ( 0.1440678 -0.0831776 0.1176309), wk = 0.0025707 k( 19) = ( 0.1525424 -0.0880704 0.1245503), wk = 0.0025707 k( 20) = ( 0.1610169 -0.0929632 0.1314698), wk = 0.0025707 k( 21) = ( 0.1694915 -0.0978560 0.1383893), wk = 0.0025707 k( 22) = ( 0.1779661 -0.1027488 0.1453087), wk = 0.0025707 k( 23) = ( 0.1864407 -0.1076416 0.1522282), wk = 0.0025707 k( 24) = ( 0.1949153 -0.1125344 0.1591476), wk = 0.0025707 k( 25) = ( 0.2033898 -0.1174272 0.1660671), wk = 0.0025707 k( 26) = ( 0.2118644 -0.1223200 0.1729866), wk = 0.0025707 k( 27) = ( 0.2203390 -0.1272128 0.1799060), wk = 0.0025707 k( 28) = ( 0.2288136 -0.1321056 0.1868255), wk = 0.0025707 k( 29) = ( 0.2372881 -0.1369984 0.1937450), wk = 0.0025707 k( 30) = ( 0.2457627 -0.1418912 0.2006644), wk = 0.0025707 k( 31) = ( 0.2542373 -0.1467840 0.2075839), wk = 0.0025707 k( 32) = ( 0.2627119 -0.1516768 0.2145033), wk = 0.0025707 k( 33) = ( 0.2711864 -0.1565696 0.2214228), wk = 0.0025707 k( 34) = ( 0.2796610 -0.1614624 0.2283423), wk = 0.0025707 k( 35) = ( 0.2881356 -0.1663552 0.2352617), wk = 0.0025707 k( 36) = ( 0.2966102 -0.1712480 0.2421812), wk = 0.0025707 k( 37) = ( 0.3050848 -0.1761408 0.2491007), wk = 0.0025707 k( 38) = ( 0.3135593 -0.1810336 0.2560201), wk = 0.0025707 k( 39) = ( 0.3220339 -0.1859264 0.2629396), wk = 0.0025707 k( 40) = ( 0.3305085 -0.1908192 0.2698590), wk = 0.0025707 k( 41) = ( 0.3389831 -0.1957120 0.2767785), wk = 0.0025707 k( 42) = ( 0.3474576 -0.2006048 0.2836980), wk = 0.0025707 k( 43) = ( 0.3559322 -0.2054976 0.2906174), wk = 0.0025707 k( 44) = ( 0.3644068 -0.2103904 0.2975369), wk = 0.0025707 k( 45) = ( 0.3728814 -0.2152832 0.3044564), wk = 0.0025707 k( 46) = ( 0.3813559 -0.2201759 0.3113758), wk = 0.0025707 k( 47) = ( 0.3898305 -0.2250687 0.3182953), wk = 0.0025707 k( 48) = ( 0.3983051 -0.2299615 0.3252147), wk = 0.0025707 k( 49) = ( 0.4067797 -0.2348543 0.3321342), wk = 0.0025707 k( 50) = ( 0.4152542 -0.2397471 0.3390537), wk = 0.0025707 k( 51) = ( 0.4237288 -0.2446399 0.3459731), wk = 0.0025707 k( 52) = ( 0.4322034 -0.2495327 0.3528926), wk = 0.0025707 k( 53) = ( 0.4406780 -0.2544255 0.3598121), wk = 0.0025707 k( 54) = ( 0.4491525 -0.2593183 0.3667315), wk = 0.0025707 k( 55) = ( 0.4576271 -0.2642111 0.3736510), wk = 0.0025707 k( 56) = ( 0.4661017 -0.2691039 0.3805704), wk = 0.0025707 k( 57) = ( 0.4745763 -0.2739967 0.3874899), wk = 0.0025707 k( 58) = ( 0.4830508 -0.2788895 0.3944094), wk = 0.0025707 k( 59) = ( 0.4915254 -0.2837823 0.4013288), wk = 0.0025707 k( 60) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0025707 k( 61) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0025707 k( 62) = ( 0.5000000 -0.2790526 0.4150524), wk = 0.0025707 k( 63) = ( 0.5000000 -0.2694301 0.4218566), wk = 0.0025707 k( 64) = ( 0.5000000 -0.2598076 0.4286607), wk = 0.0025707 k( 65) = ( 0.5000000 -0.2501851 0.4354648), wk = 0.0025707 k( 66) = ( 0.5000000 -0.2405626 0.4422690), wk = 0.0025707 k( 67) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0025707 k( 68) = ( 0.5000000 -0.2213176 0.4558773), wk = 0.0025707 k( 69) = ( 0.5000000 -0.2116951 0.4626814), wk = 0.0025707 k( 70) = ( 0.5000000 -0.2020726 0.4694855), wk = 0.0025707 k( 71) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0025707 k( 72) = ( 0.5000000 -0.1828276 0.4830938), wk = 0.0025707 k( 73) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0025707 k( 74) = ( 0.5000000 -0.1635826 0.4967021), wk = 0.0025707 k( 75) = ( 0.5000000 -0.1539601 0.5035062), wk = 0.0025707 k( 76) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0025707 k( 77) = ( 0.5000000 -0.1347151 0.5171145), wk = 0.0025707 k( 78) = ( 0.5000000 -0.1250926 0.5239186), wk = 0.0025707 k( 79) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0025707 k( 80) = ( 0.5000000 -0.1058476 0.5375269), wk = 0.0025707 k( 81) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0025707 k( 82) = ( 0.5000000 -0.0866025 0.5511352), wk = 0.0025707 k( 83) = ( 0.5000000 -0.0769800 0.5579393), wk = 0.0025707 k( 84) = ( 0.5000000 -0.0673575 0.5647435), wk = 0.0025707 k( 85) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0025707 k( 86) = ( 0.5000000 -0.0481125 0.5783517), wk = 0.0025707 k( 87) = ( 0.5000000 -0.0384900 0.5851559), wk = 0.0025707 k( 88) = ( 0.5000000 -0.0288675 0.5919600), wk = 0.0025707 k( 89) = ( 0.5000000 -0.0192450 0.5987642), wk = 0.0025707 k( 90) = ( 0.5000000 -0.0096225 0.6055683), wk = 0.0025707 k( 91) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0025707 k( 92) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0025707 k( 93) = ( 0.4940476 0.0103098 0.6123724), wk = 0.0025707 k( 94) = ( 0.4880952 0.0206196 0.6123724), wk = 0.0025707 k( 95) = ( 0.4821429 0.0309295 0.6123724), wk = 0.0025707 k( 96) = ( 0.4761905 0.0412393 0.6123724), wk = 0.0025707 k( 97) = ( 0.4702381 0.0515491 0.6123724), wk = 0.0025707 k( 98) = ( 0.4642857 0.0618590 0.6123724), wk = 0.0025707 k( 99) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0025707 k( 100) = ( 0.4523810 0.0824786 0.6123724), wk = 0.0025707 k( 101) = ( 0.4464286 0.0927884 0.6123724), wk = 0.0025707 k( 102) = ( 0.4404762 0.1030983 0.6123724), wk = 0.0025707 k( 103) = ( 0.4345238 0.1134081 0.6123724), wk = 0.0025707 k( 104) = ( 0.4285714 0.1237179 0.6123724), wk = 0.0025707 k( 105) = ( 0.4226190 0.1340277 0.6123724), wk = 0.0025707 k( 106) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0025707 k( 107) = ( 0.4107143 0.1546474 0.6123724), wk = 0.0025707 k( 108) = ( 0.4047619 0.1649572 0.6123724), wk = 0.0025707 k( 109) = ( 0.3988095 0.1752671 0.6123724), wk = 0.0025707 k( 110) = ( 0.3928571 0.1855769 0.6123724), wk = 0.0025707 k( 111) = ( 0.3869048 0.1958867 0.6123724), wk = 0.0025707 k( 112) = ( 0.3809524 0.2061965 0.6123724), wk = 0.0025707 k( 113) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0025707 k( 114) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0025707 k( 115) = ( 0.3689516 0.2130143 0.6024955), wk = 0.0025707 k( 116) = ( 0.3629032 0.2095223 0.5926185), wk = 0.0025707 k( 117) = ( 0.3568548 0.2060302 0.5827415), wk = 0.0025707 k( 118) = ( 0.3508064 0.2025382 0.5728645), wk = 0.0025707 k( 119) = ( 0.3447581 0.1990462 0.5629876), wk = 0.0025707 k( 120) = ( 0.3387097 0.1955541 0.5531106), wk = 0.0025707 k( 121) = ( 0.3326613 0.1920621 0.5432336), wk = 0.0025707 k( 122) = ( 0.3266129 0.1885700 0.5333566), wk = 0.0025707 k( 123) = ( 0.3205645 0.1850780 0.5234797), wk = 0.0025707 k( 124) = ( 0.3145161 0.1815860 0.5136027), wk = 0.0025707 k( 125) = ( 0.3084677 0.1780939 0.5037257), wk = 0.0025707 k( 126) = ( 0.3024193 0.1746019 0.4938487), wk = 0.0025707 k( 127) = ( 0.2963710 0.1711099 0.4839718), wk = 0.0025707 k( 128) = ( 0.2903226 0.1676178 0.4740948), wk = 0.0025707 k( 129) = ( 0.2842742 0.1641258 0.4642178), wk = 0.0025707 k( 130) = ( 0.2782258 0.1606337 0.4543408), wk = 0.0025707 k( 131) = ( 0.2721774 0.1571417 0.4444639), wk = 0.0025707 k( 132) = ( 0.2661290 0.1536497 0.4345869), wk = 0.0025707 k( 133) = ( 0.2600807 0.1501576 0.4247099), wk = 0.0025707 k( 134) = ( 0.2540323 0.1466656 0.4148329), wk = 0.0025707 k( 135) = ( 0.2479839 0.1431736 0.4049560), wk = 0.0025707 k( 136) = ( 0.2419355 0.1396815 0.3950790), wk = 0.0025707 k( 137) = ( 0.2358871 0.1361895 0.3852020), wk = 0.0025707 k( 138) = ( 0.2298387 0.1326974 0.3753250), wk = 0.0025707 k( 139) = ( 0.2237903 0.1292054 0.3654481), wk = 0.0025707 k( 140) = ( 0.2177419 0.1257134 0.3555711), wk = 0.0025707 k( 141) = ( 0.2116936 0.1222213 0.3456941), wk = 0.0025707 k( 142) = ( 0.2056452 0.1187293 0.3358171), wk = 0.0025707 k( 143) = ( 0.1995968 0.1152372 0.3259402), wk = 0.0025707 k( 144) = ( 0.1935484 0.1117452 0.3160632), wk = 0.0025707 k( 145) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0025707 k( 146) = ( 0.1814516 0.1047611 0.2963093), wk = 0.0025707 k( 147) = ( 0.1754032 0.1012691 0.2864323), wk = 0.0025707 k( 148) = ( 0.1693548 0.0977771 0.2765553), wk = 0.0025707 k( 149) = ( 0.1633064 0.0942850 0.2666783), wk = 0.0025707 k( 150) = ( 0.1572581 0.0907930 0.2568013), wk = 0.0025707 k( 151) = ( 0.1512097 0.0873009 0.2469244), wk = 0.0025707 k( 152) = ( 0.1451613 0.0838089 0.2370474), wk = 0.0025707 k( 153) = ( 0.1391129 0.0803169 0.2271704), wk = 0.0025707 k( 154) = ( 0.1330645 0.0768248 0.2172934), wk = 0.0025707 k( 155) = ( 0.1270161 0.0733328 0.2074165), wk = 0.0025707 k( 156) = ( 0.1209677 0.0698408 0.1975395), wk = 0.0025707 k( 157) = ( 0.1149194 0.0663487 0.1876625), wk = 0.0025707 k( 158) = ( 0.1088710 0.0628567 0.1777855), wk = 0.0025707 k( 159) = ( 0.1028226 0.0593646 0.1679086), wk = 0.0025707 k( 160) = ( 0.0967742 0.0558726 0.1580316), wk = 0.0025707 k( 161) = ( 0.0907258 0.0523806 0.1481546), wk = 0.0025707 k( 162) = ( 0.0846774 0.0488885 0.1382776), wk = 0.0025707 k( 163) = ( 0.0786290 0.0453965 0.1284007), wk = 0.0025707 k( 164) = ( 0.0725806 0.0419045 0.1185237), wk = 0.0025707 k( 165) = ( 0.0665323 0.0384124 0.1086467), wk = 0.0025707 k( 166) = ( 0.0604839 0.0349204 0.0987697), wk = 0.0025707 k( 167) = ( 0.0544355 0.0314283 0.0888928), wk = 0.0025707 k( 168) = ( 0.0483871 0.0279363 0.0790158), wk = 0.0025707 k( 169) = ( 0.0423387 0.0244443 0.0691388), wk = 0.0025707 k( 170) = ( 0.0362903 0.0209522 0.0592619), wk = 0.0025707 k( 171) = ( 0.0302419 0.0174602 0.0493849), wk = 0.0025707 k( 172) = ( 0.0241936 0.0139682 0.0395079), wk = 0.0025707 k( 173) = ( 0.0181452 0.0104761 0.0296309), wk = 0.0025707 k( 174) = ( 0.0120968 0.0069841 0.0197540), wk = 0.0025707 k( 175) = ( 0.0060484 0.0034920 0.0098770), wk = 0.0025707 k( 176) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025707 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025707 k( 178) = ( 0.0098039 0.0056603 0.0040024), wk = 0.0025707 k( 179) = ( 0.0196078 0.0113206 0.0080049), wk = 0.0025707 k( 180) = ( 0.0294118 0.0169809 0.0120073), wk = 0.0025707 k( 181) = ( 0.0392157 0.0226412 0.0160097), wk = 0.0025707 k( 182) = ( 0.0490196 0.0283015 0.0200122), wk = 0.0025707 k( 183) = ( 0.0588235 0.0339618 0.0240146), wk = 0.0025707 k( 184) = ( 0.0686275 0.0396221 0.0280170), wk = 0.0025707 k( 185) = ( 0.0784314 0.0452824 0.0320195), wk = 0.0025707 k( 186) = ( 0.0882353 0.0509427 0.0360219), wk = 0.0025707 k( 187) = ( 0.0980392 0.0566030 0.0400243), wk = 0.0025707 k( 188) = ( 0.1078431 0.0622633 0.0440268), wk = 0.0025707 k( 189) = ( 0.1176471 0.0679236 0.0480292), wk = 0.0025707 k( 190) = ( 0.1274510 0.0735839 0.0520316), wk = 0.0025707 k( 191) = ( 0.1372549 0.0792442 0.0560341), wk = 0.0025707 k( 192) = ( 0.1470588 0.0849044 0.0600365), wk = 0.0025707 k( 193) = ( 0.1568627 0.0905648 0.0640389), wk = 0.0025707 k( 194) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0025707 k( 195) = ( 0.1764706 0.1018853 0.0720438), wk = 0.0025707 k( 196) = ( 0.1862745 0.1075456 0.0760463), wk = 0.0025707 k( 197) = ( 0.1960784 0.1132059 0.0800487), wk = 0.0025707 k( 198) = ( 0.2058823 0.1188662 0.0840511), wk = 0.0025707 k( 199) = ( 0.2156863 0.1245265 0.0880536), wk = 0.0025707 k( 200) = ( 0.2254902 0.1301868 0.0920560), wk = 0.0025707 k( 201) = ( 0.2352941 0.1358471 0.0960584), wk = 0.0025707 k( 202) = ( 0.2450980 0.1415074 0.1000609), wk = 0.0025707 k( 203) = ( 0.2549020 0.1471677 0.1040633), wk = 0.0025707 k( 204) = ( 0.2647059 0.1528280 0.1080657), wk = 0.0025707 k( 205) = ( 0.2745098 0.1584883 0.1120682), wk = 0.0025707 k( 206) = ( 0.2843137 0.1641486 0.1160706), wk = 0.0025707 k( 207) = ( 0.2941177 0.1698089 0.1200730), wk = 0.0025707 k( 208) = ( 0.3039216 0.1754692 0.1240755), wk = 0.0025707 k( 209) = ( 0.3137255 0.1811295 0.1280779), wk = 0.0025707 k( 210) = ( 0.3235294 0.1867898 0.1320803), wk = 0.0025707 k( 211) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0025707 k( 212) = ( 0.3431373 0.1981104 0.1400852), wk = 0.0025707 k( 213) = ( 0.3529412 0.2037707 0.1440876), wk = 0.0025707 k( 214) = ( 0.3627451 0.2094310 0.1480901), wk = 0.0025707 k( 215) = ( 0.3725490 0.2150913 0.1520925), wk = 0.0025707 k( 216) = ( 0.3823529 0.2207516 0.1560949), wk = 0.0025707 k( 217) = ( 0.3921569 0.2264119 0.1600974), wk = 0.0025707 k( 218) = ( 0.4019608 0.2320722 0.1640998), wk = 0.0025707 k( 219) = ( 0.4117647 0.2377325 0.1681022), wk = 0.0025707 k( 220) = ( 0.4215686 0.2433928 0.1721047), wk = 0.0025707 k( 221) = ( 0.4313726 0.2490531 0.1761071), wk = 0.0025707 k( 222) = ( 0.4411765 0.2547134 0.1801095), wk = 0.0025707 k( 223) = ( 0.4509804 0.2603736 0.1841120), wk = 0.0025707 k( 224) = ( 0.4607843 0.2660339 0.1881144), wk = 0.0025707 k( 225) = ( 0.4705882 0.2716942 0.1921168), wk = 0.0025707 k( 226) = ( 0.4803922 0.2773545 0.1961193), wk = 0.0025707 k( 227) = ( 0.4901961 0.2830148 0.2001217), wk = 0.0025707 k( 228) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0025707 k( 229) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0025707 k( 230) = ( 0.5034722 0.2786517 0.2097943), wk = 0.0025707 k( 231) = ( 0.5069444 0.2686283 0.2154644), wk = 0.0025707 k( 232) = ( 0.5104167 0.2586048 0.2211345), wk = 0.0025707 k( 233) = ( 0.5138889 0.2485814 0.2268046), wk = 0.0025707 k( 234) = ( 0.5173611 0.2385579 0.2324747), wk = 0.0025707 k( 235) = ( 0.5208333 0.2285345 0.2381448), wk = 0.0025707 k( 236) = ( 0.5243056 0.2185110 0.2438150), wk = 0.0025707 k( 237) = ( 0.5277778 0.2084876 0.2494851), wk = 0.0025707 k( 238) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0025707 k( 239) = ( 0.5347222 0.1884407 0.2608253), wk = 0.0025707 k( 240) = ( 0.5381944 0.1784173 0.2664954), wk = 0.0025707 k( 241) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0025707 k( 242) = ( 0.5451389 0.1583704 0.2778356), wk = 0.0025707 k( 243) = ( 0.5486111 0.1483469 0.2835058), wk = 0.0025707 k( 244) = ( 0.5520833 0.1383235 0.2891759), wk = 0.0025707 k( 245) = ( 0.5555556 0.1283001 0.2948460), wk = 0.0025707 k( 246) = ( 0.5590278 0.1182766 0.3005161), wk = 0.0025707 k( 247) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0025707 k( 248) = ( 0.5659722 0.0982297 0.3118563), wk = 0.0025707 k( 249) = ( 0.5694444 0.0882063 0.3175264), wk = 0.0025707 k( 250) = ( 0.5729167 0.0781829 0.3231966), wk = 0.0025707 k( 251) = ( 0.5763889 0.0681594 0.3288667), wk = 0.0025707 k( 252) = ( 0.5798611 0.0581360 0.3345368), wk = 0.0025707 k( 253) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0025707 k( 254) = ( 0.5868056 0.0380891 0.3458770), wk = 0.0025707 k( 255) = ( 0.5902778 0.0280656 0.3515471), wk = 0.0025707 k( 256) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0025707 k( 257) = ( 0.5972222 0.0080188 0.3628874), wk = 0.0025707 k( 258) = ( 0.6006944 -0.0020047 0.3685575), wk = 0.0025707 k( 259) = ( 0.6041667 -0.0120281 0.3742276), wk = 0.0025707 k( 260) = ( 0.6076389 -0.0220516 0.3798977), wk = 0.0025707 k( 261) = ( 0.6111111 -0.0320750 0.3855678), wk = 0.0025707 k( 262) = ( 0.6145833 -0.0420985 0.3912379), wk = 0.0025707 k( 263) = ( 0.6180556 -0.0521219 0.3969081), wk = 0.0025707 k( 264) = ( 0.6215278 -0.0621453 0.4025782), wk = 0.0025707 k( 265) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0025707 k( 266) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0025707 k( 267) = ( 0.6190476 -0.0687322 0.4179685), wk = 0.0025707 k( 268) = ( 0.6130952 -0.0652956 0.4276887), wk = 0.0025707 k( 269) = ( 0.6071429 -0.0618590 0.4374089), wk = 0.0025707 k( 270) = ( 0.6011905 -0.0584224 0.4471291), wk = 0.0025707 k( 271) = ( 0.5952381 -0.0549857 0.4568493), wk = 0.0025707 k( 272) = ( 0.5892857 -0.0515491 0.4665695), wk = 0.0025707 k( 273) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0025707 k( 274) = ( 0.5773810 -0.0446759 0.4860099), wk = 0.0025707 k( 275) = ( 0.5714286 -0.0412393 0.4957301), wk = 0.0025707 k( 276) = ( 0.5654762 -0.0378027 0.5054503), wk = 0.0025707 k( 277) = ( 0.5595238 -0.0343661 0.5151705), wk = 0.0025707 k( 278) = ( 0.5535714 -0.0309295 0.5248907), wk = 0.0025707 k( 279) = ( 0.5476190 -0.0274929 0.5346109), wk = 0.0025707 k( 280) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0025707 k( 281) = ( 0.5357143 -0.0206197 0.5540512), wk = 0.0025707 k( 282) = ( 0.5297619 -0.0171830 0.5637715), wk = 0.0025707 k( 283) = ( 0.5238095 -0.0137464 0.5734917), wk = 0.0025707 k( 284) = ( 0.5178571 -0.0103098 0.5832118), wk = 0.0025707 k( 285) = ( 0.5119048 -0.0068732 0.5929320), wk = 0.0025707 k( 286) = ( 0.5059524 -0.0034366 0.6026522), wk = 0.0025707 k( 287) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0025707 k( 288) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0025707 k( 289) = ( 0.5000000 0.0068732 0.6026522), wk = 0.0025707 k( 290) = ( 0.5000000 0.0137464 0.5929320), wk = 0.0025707 k( 291) = ( 0.5000000 0.0206196 0.5832118), wk = 0.0025707 k( 292) = ( 0.5000000 0.0274929 0.5734917), wk = 0.0025707 k( 293) = ( 0.5000000 0.0343661 0.5637715), wk = 0.0025707 k( 294) = ( 0.5000000 0.0412393 0.5540512), wk = 0.0025707 k( 295) = ( 0.5000000 0.0481125 0.5443310), wk = 0.0025707 k( 296) = ( 0.5000000 0.0549857 0.5346109), wk = 0.0025707 k( 297) = ( 0.5000000 0.0618590 0.5248907), wk = 0.0025707 k( 298) = ( 0.5000000 0.0687322 0.5151705), wk = 0.0025707 k( 299) = ( 0.5000000 0.0756054 0.5054503), wk = 0.0025707 k( 300) = ( 0.5000000 0.0824786 0.4957301), wk = 0.0025707 k( 301) = ( 0.5000000 0.0893518 0.4860099), wk = 0.0025707 k( 302) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0025707 k( 303) = ( 0.5000000 0.1030983 0.4665695), wk = 0.0025707 k( 304) = ( 0.5000000 0.1099715 0.4568493), wk = 0.0025707 k( 305) = ( 0.5000000 0.1168447 0.4471291), wk = 0.0025707 k( 306) = ( 0.5000000 0.1237179 0.4374089), wk = 0.0025707 k( 307) = ( 0.5000000 0.1305911 0.4276887), wk = 0.0025707 k( 308) = ( 0.5000000 0.1374644 0.4179685), wk = 0.0025707 k( 309) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0025707 k( 310) = ( 0.5000000 0.1512108 0.3985281), wk = 0.0025707 k( 311) = ( 0.5000000 0.1580840 0.3888079), wk = 0.0025707 k( 312) = ( 0.5000000 0.1649572 0.3790877), wk = 0.0025707 k( 313) = ( 0.5000000 0.1718304 0.3693675), wk = 0.0025707 k( 314) = ( 0.5000000 0.1787036 0.3596473), wk = 0.0025707 k( 315) = ( 0.5000000 0.1855769 0.3499271), wk = 0.0025707 k( 316) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0025707 k( 317) = ( 0.5000000 0.1993233 0.3304867), wk = 0.0025707 k( 318) = ( 0.5000000 0.2061965 0.3207665), wk = 0.0025707 k( 319) = ( 0.5000000 0.2130697 0.3110463), wk = 0.0025707 k( 320) = ( 0.5000000 0.2199430 0.3013261), wk = 0.0025707 k( 321) = ( 0.5000000 0.2268162 0.2916059), wk = 0.0025707 k( 322) = ( 0.5000000 0.2336894 0.2818857), wk = 0.0025707 k( 323) = ( 0.5000000 0.2405626 0.2721655), wk = 0.0025707 k( 324) = ( 0.5000000 0.2474358 0.2624453), wk = 0.0025707 k( 325) = ( 0.5000000 0.2543091 0.2527251), wk = 0.0025707 k( 326) = ( 0.5000000 0.2611823 0.2430049), wk = 0.0025707 k( 327) = ( 0.5000000 0.2680555 0.2332847), wk = 0.0025707 k( 328) = ( 0.5000000 0.2749287 0.2235645), wk = 0.0025707 k( 329) = ( 0.5000000 0.2818019 0.2138443), wk = 0.0025707 k( 330) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0025707 k( 331) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0025707 k( 332) = ( 0.4965278 0.2866704 0.2154644), wk = 0.0025707 k( 333) = ( 0.4930556 0.2846658 0.2268046), wk = 0.0025707 k( 334) = ( 0.4895833 0.2826611 0.2381448), wk = 0.0025707 k( 335) = ( 0.4861111 0.2806564 0.2494851), wk = 0.0025707 k( 336) = ( 0.4826389 0.2786517 0.2608253), wk = 0.0025707 k( 337) = ( 0.4791667 0.2766470 0.2721655), wk = 0.0025707 k( 338) = ( 0.4756944 0.2746423 0.2835058), wk = 0.0025707 k( 339) = ( 0.4722222 0.2726376 0.2948460), wk = 0.0025707 k( 340) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0025707 k( 341) = ( 0.4652778 0.2686283 0.3175264), wk = 0.0025707 k( 342) = ( 0.4618056 0.2666236 0.3288667), wk = 0.0025707 k( 343) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0025707 k( 344) = ( 0.4548611 0.2626142 0.3515471), wk = 0.0025707 k( 345) = ( 0.4513889 0.2606095 0.3628874), wk = 0.0025707 k( 346) = ( 0.4479167 0.2586048 0.3742276), wk = 0.0025707 k( 347) = ( 0.4444444 0.2566001 0.3855678), wk = 0.0025707 k( 348) = ( 0.4409722 0.2545954 0.3969081), wk = 0.0025707 k( 349) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0025707 k( 350) = ( 0.4340278 0.2505861 0.4195885), wk = 0.0025707 k( 351) = ( 0.4305556 0.2485814 0.4309287), wk = 0.0025707 k( 352) = ( 0.4270833 0.2465767 0.4422690), wk = 0.0025707 k( 353) = ( 0.4236111 0.2445720 0.4536092), wk = 0.0025707 k( 354) = ( 0.4201389 0.2425673 0.4649494), wk = 0.0025707 k( 355) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0025707 k( 356) = ( 0.4131944 0.2385579 0.4876299), wk = 0.0025707 k( 357) = ( 0.4097222 0.2365532 0.4989701), wk = 0.0025707 k( 358) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0025707 k( 359) = ( 0.4027778 0.2325439 0.5216506), wk = 0.0025707 k( 360) = ( 0.3993056 0.2305392 0.5329908), wk = 0.0025707 k( 361) = ( 0.3958333 0.2285345 0.5443311), wk = 0.0025707 k( 362) = ( 0.3923611 0.2265298 0.5556713), wk = 0.0025707 k( 363) = ( 0.3888889 0.2245251 0.5670115), wk = 0.0025707 k( 364) = ( 0.3854167 0.2225204 0.5783517), wk = 0.0025707 k( 365) = ( 0.3819444 0.2205157 0.5896920), wk = 0.0025707 k( 366) = ( 0.3784722 0.2185110 0.6010322), wk = 0.0025707 k( 367) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0025707 k( 368) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0025707 k( 369) = ( 0.6190476 -0.0824786 0.4082483), wk = 0.0025707 k( 370) = ( 0.6130952 -0.0927884 0.4082483), wk = 0.0025707 k( 371) = ( 0.6071429 -0.1030983 0.4082483), wk = 0.0025707 k( 372) = ( 0.6011905 -0.1134081 0.4082483), wk = 0.0025707 k( 373) = ( 0.5952381 -0.1237179 0.4082483), wk = 0.0025707 k( 374) = ( 0.5892857 -0.1340277 0.4082483), wk = 0.0025707 k( 375) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0025707 k( 376) = ( 0.5773810 -0.1546474 0.4082483), wk = 0.0025707 k( 377) = ( 0.5714286 -0.1649572 0.4082483), wk = 0.0025707 k( 378) = ( 0.5654762 -0.1752670 0.4082483), wk = 0.0025707 k( 379) = ( 0.5595238 -0.1855769 0.4082483), wk = 0.0025707 k( 380) = ( 0.5535714 -0.1958867 0.4082483), wk = 0.0025707 k( 381) = ( 0.5476190 -0.2061965 0.4082483), wk = 0.0025707 k( 382) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0025707 k( 383) = ( 0.5357143 -0.2268162 0.4082483), wk = 0.0025707 k( 384) = ( 0.5297619 -0.2371260 0.4082483), wk = 0.0025707 k( 385) = ( 0.5238095 -0.2474358 0.4082483), wk = 0.0025707 k( 386) = ( 0.5178571 -0.2577456 0.4082483), wk = 0.0025707 k( 387) = ( 0.5119048 -0.2680555 0.4082483), wk = 0.0025707 k( 388) = ( 0.5059524 -0.2783653 0.4082483), wk = 0.0025707 k( 389) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0025707 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025707 k( 2) = ( 0.0084746 0.0000000 0.0084746), wk = 0.0025707 k( 3) = ( 0.0169491 -0.0000000 0.0169491), wk = 0.0025707 k( 4) = ( 0.0254237 -0.0000000 0.0254237), wk = 0.0025707 k( 5) = ( 0.0338983 -0.0000000 0.0338983), wk = 0.0025707 k( 6) = ( 0.0423729 -0.0000000 0.0423729), wk = 0.0025707 k( 7) = ( 0.0508475 -0.0000000 0.0508475), wk = 0.0025707 k( 8) = ( 0.0593220 -0.0000000 0.0593220), wk = 0.0025707 k( 9) = ( 0.0677966 -0.0000000 0.0677966), wk = 0.0025707 k( 10) = ( 0.0762712 0.0000000 0.0762712), wk = 0.0025707 k( 11) = ( 0.0847458 -0.0000000 0.0847458), wk = 0.0025707 k( 12) = ( 0.0932203 -0.0000000 0.0932203), wk = 0.0025707 k( 13) = ( 0.1016949 -0.0000000 0.1016949), wk = 0.0025707 k( 14) = ( 0.1101695 -0.0000000 0.1101695), wk = 0.0025707 k( 15) = ( 0.1186441 -0.0000000 0.1186441), wk = 0.0025707 k( 16) = ( 0.1271186 0.0000000 0.1271186), wk = 0.0025707 k( 17) = ( 0.1355932 -0.0000000 0.1355932), wk = 0.0025707 k( 18) = ( 0.1440678 -0.0000000 0.1440678), wk = 0.0025707 k( 19) = ( 0.1525424 0.0000000 0.1525424), wk = 0.0025707 k( 20) = ( 0.1610169 0.0000000 0.1610170), wk = 0.0025707 k( 21) = ( 0.1694915 -0.0000000 0.1694915), wk = 0.0025707 k( 22) = ( 0.1779661 -0.0000000 0.1779661), wk = 0.0025707 k( 23) = ( 0.1864407 -0.0000000 0.1864407), wk = 0.0025707 k( 24) = ( 0.1949153 -0.0000000 0.1949153), wk = 0.0025707 k( 25) = ( 0.2033898 -0.0000000 0.2033898), wk = 0.0025707 k( 26) = ( 0.2118644 -0.0000000 0.2118644), wk = 0.0025707 k( 27) = ( 0.2203390 -0.0000000 0.2203390), wk = 0.0025707 k( 28) = ( 0.2288136 -0.0000000 0.2288136), wk = 0.0025707 k( 29) = ( 0.2372881 -0.0000000 0.2372881), wk = 0.0025707 k( 30) = ( 0.2457627 -0.0000000 0.2457627), wk = 0.0025707 k( 31) = ( 0.2542373 0.0000000 0.2542373), wk = 0.0025707 k( 32) = ( 0.2627119 0.0000000 0.2627119), wk = 0.0025707 k( 33) = ( 0.2711864 -0.0000000 0.2711864), wk = 0.0025707 k( 34) = ( 0.2796610 0.0000000 0.2796610), wk = 0.0025707 k( 35) = ( 0.2881356 0.0000000 0.2881356), wk = 0.0025707 k( 36) = ( 0.2966102 0.0000000 0.2966102), wk = 0.0025707 k( 37) = ( 0.3050848 -0.0000000 0.3050848), wk = 0.0025707 k( 38) = ( 0.3135593 -0.0000000 0.3135593), wk = 0.0025707 k( 39) = ( 0.3220339 0.0000000 0.3220339), wk = 0.0025707 k( 40) = ( 0.3305085 -0.0000000 0.3305085), wk = 0.0025707 k( 41) = ( 0.3389831 0.0000000 0.3389831), wk = 0.0025707 k( 42) = ( 0.3474576 -0.0000000 0.3474576), wk = 0.0025707 k( 43) = ( 0.3559322 -0.0000000 0.3559322), wk = 0.0025707 k( 44) = ( 0.3644068 -0.0000000 0.3644068), wk = 0.0025707 k( 45) = ( 0.3728814 -0.0000000 0.3728814), wk = 0.0025707 k( 46) = ( 0.3813559 -0.0000000 0.3813559), wk = 0.0025707 k( 47) = ( 0.3898305 -0.0000000 0.3898305), wk = 0.0025707 k( 48) = ( 0.3983051 -0.0000000 0.3983051), wk = 0.0025707 k( 49) = ( 0.4067797 -0.0000000 0.4067797), wk = 0.0025707 k( 50) = ( 0.4152542 -0.0000000 0.4152542), wk = 0.0025707 k( 51) = ( 0.4237288 -0.0000000 0.4237288), wk = 0.0025707 k( 52) = ( 0.4322034 -0.0000000 0.4322034), wk = 0.0025707 k( 53) = ( 0.4406780 0.0000000 0.4406780), wk = 0.0025707 k( 54) = ( 0.4491525 -0.0000000 0.4491525), wk = 0.0025707 k( 55) = ( 0.4576271 -0.0000000 0.4576271), wk = 0.0025707 k( 56) = ( 0.4661017 0.0000000 0.4661017), wk = 0.0025707 k( 57) = ( 0.4745763 -0.0000000 0.4745763), wk = 0.0025707 k( 58) = ( 0.4830508 -0.0000000 0.4830509), wk = 0.0025707 k( 59) = ( 0.4915254 -0.0000000 0.4915254), wk = 0.0025707 k( 60) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025707 k( 61) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025707 k( 62) = ( 0.5000000 0.0083333 0.5083333), wk = 0.0025707 k( 63) = ( 0.5000000 0.0166667 0.5166667), wk = 0.0025707 k( 64) = ( 0.5000000 0.0250000 0.5250000), wk = 0.0025707 k( 65) = ( 0.5000000 0.0333333 0.5333333), wk = 0.0025707 k( 66) = ( 0.5000000 0.0416667 0.5416667), wk = 0.0025707 k( 67) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0025707 k( 68) = ( 0.5000000 0.0583333 0.5583333), wk = 0.0025707 k( 69) = ( 0.5000000 0.0666667 0.5666667), wk = 0.0025707 k( 70) = ( 0.5000000 0.0750000 0.5750000), wk = 0.0025707 k( 71) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0025707 k( 72) = ( 0.5000000 0.0916667 0.5916667), wk = 0.0025707 k( 73) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0025707 k( 74) = ( 0.5000000 0.1083333 0.6083333), wk = 0.0025707 k( 75) = ( 0.5000000 0.1166667 0.6166667), wk = 0.0025707 k( 76) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0025707 k( 77) = ( 0.5000000 0.1333333 0.6333333), wk = 0.0025707 k( 78) = ( 0.5000000 0.1416667 0.6416667), wk = 0.0025707 k( 79) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0025707 k( 80) = ( 0.5000000 0.1583333 0.6583333), wk = 0.0025707 k( 81) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0025707 k( 82) = ( 0.5000000 0.1750000 0.6750000), wk = 0.0025707 k( 83) = ( 0.5000000 0.1833333 0.6833333), wk = 0.0025707 k( 84) = ( 0.5000000 0.1916667 0.6916667), wk = 0.0025707 k( 85) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0025707 k( 86) = ( 0.5000000 0.2083333 0.7083333), wk = 0.0025707 k( 87) = ( 0.5000000 0.2166667 0.7166667), wk = 0.0025707 k( 88) = ( 0.5000000 0.2250000 0.7250000), wk = 0.0025707 k( 89) = ( 0.5000000 0.2333333 0.7333333), wk = 0.0025707 k( 90) = ( 0.5000000 0.2416667 0.7416667), wk = 0.0025707 k( 91) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0025707 k( 92) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0025707 k( 93) = ( 0.4940476 0.2559524 0.7500000), wk = 0.0025707 k( 94) = ( 0.4880952 0.2619048 0.7500000), wk = 0.0025707 k( 95) = ( 0.4821429 0.2678571 0.7500000), wk = 0.0025707 k( 96) = ( 0.4761905 0.2738095 0.7500000), wk = 0.0025707 k( 97) = ( 0.4702381 0.2797619 0.7500000), wk = 0.0025707 k( 98) = ( 0.4642857 0.2857143 0.7500000), wk = 0.0025707 k( 99) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0025707 k( 100) = ( 0.4523810 0.2976190 0.7500000), wk = 0.0025707 k( 101) = ( 0.4464286 0.3035714 0.7500000), wk = 0.0025707 k( 102) = ( 0.4404762 0.3095238 0.7500000), wk = 0.0025707 k( 103) = ( 0.4345238 0.3154762 0.7500000), wk = 0.0025707 k( 104) = ( 0.4285714 0.3214286 0.7500000), wk = 0.0025707 k( 105) = ( 0.4226190 0.3273810 0.7500000), wk = 0.0025707 k( 106) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0025707 k( 107) = ( 0.4107143 0.3392857 0.7500000), wk = 0.0025707 k( 108) = ( 0.4047619 0.3452381 0.7500000), wk = 0.0025707 k( 109) = ( 0.3988095 0.3511905 0.7500000), wk = 0.0025707 k( 110) = ( 0.3928571 0.3571429 0.7500000), wk = 0.0025707 k( 111) = ( 0.3869048 0.3630952 0.7500000), wk = 0.0025707 k( 112) = ( 0.3809524 0.3690476 0.7500000), wk = 0.0025707 k( 113) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0025707 k( 114) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0025707 k( 115) = ( 0.3689516 0.3689516 0.7379032), wk = 0.0025707 k( 116) = ( 0.3629032 0.3629032 0.7258064), wk = 0.0025707 k( 117) = ( 0.3568548 0.3568548 0.7137097), wk = 0.0025707 k( 118) = ( 0.3508064 0.3508065 0.7016129), wk = 0.0025707 k( 119) = ( 0.3447581 0.3447581 0.6895161), wk = 0.0025707 k( 120) = ( 0.3387097 0.3387097 0.6774194), wk = 0.0025707 k( 121) = ( 0.3326613 0.3326613 0.6653226), wk = 0.0025707 k( 122) = ( 0.3266129 0.3266129 0.6532258), wk = 0.0025707 k( 123) = ( 0.3205645 0.3205645 0.6411290), wk = 0.0025707 k( 124) = ( 0.3145161 0.3145161 0.6290323), wk = 0.0025707 k( 125) = ( 0.3084677 0.3084677 0.6169355), wk = 0.0025707 k( 126) = ( 0.3024193 0.3024194 0.6048387), wk = 0.0025707 k( 127) = ( 0.2963710 0.2963710 0.5927419), wk = 0.0025707 k( 128) = ( 0.2903226 0.2903226 0.5806452), wk = 0.0025707 k( 129) = ( 0.2842742 0.2842742 0.5685484), wk = 0.0025707 k( 130) = ( 0.2782258 0.2782258 0.5564516), wk = 0.0025707 k( 131) = ( 0.2721774 0.2721774 0.5443548), wk = 0.0025707 k( 132) = ( 0.2661290 0.2661290 0.5322581), wk = 0.0025707 k( 133) = ( 0.2600807 0.2600807 0.5201613), wk = 0.0025707 k( 134) = ( 0.2540323 0.2540323 0.5080645), wk = 0.0025707 k( 135) = ( 0.2479839 0.2479839 0.4959677), wk = 0.0025707 k( 136) = ( 0.2419355 0.2419355 0.4838710), wk = 0.0025707 k( 137) = ( 0.2358871 0.2358871 0.4717742), wk = 0.0025707 k( 138) = ( 0.2298387 0.2298387 0.4596774), wk = 0.0025707 k( 139) = ( 0.2237903 0.2237903 0.4475807), wk = 0.0025707 k( 140) = ( 0.2177419 0.2177419 0.4354839), wk = 0.0025707 k( 141) = ( 0.2116936 0.2116936 0.4233871), wk = 0.0025707 k( 142) = ( 0.2056452 0.2056452 0.4112903), wk = 0.0025707 k( 143) = ( 0.1995968 0.1995968 0.3991936), wk = 0.0025707 k( 144) = ( 0.1935484 0.1935484 0.3870968), wk = 0.0025707 k( 145) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0025707 k( 146) = ( 0.1814516 0.1814516 0.3629032), wk = 0.0025707 k( 147) = ( 0.1754032 0.1754032 0.3508065), wk = 0.0025707 k( 148) = ( 0.1693548 0.1693548 0.3387097), wk = 0.0025707 k( 149) = ( 0.1633064 0.1633064 0.3266129), wk = 0.0025707 k( 150) = ( 0.1572581 0.1572581 0.3145161), wk = 0.0025707 k( 151) = ( 0.1512097 0.1512097 0.3024194), wk = 0.0025707 k( 152) = ( 0.1451613 0.1451613 0.2903226), wk = 0.0025707 k( 153) = ( 0.1391129 0.1391129 0.2782258), wk = 0.0025707 k( 154) = ( 0.1330645 0.1330645 0.2661290), wk = 0.0025707 k( 155) = ( 0.1270161 0.1270161 0.2540323), wk = 0.0025707 k( 156) = ( 0.1209677 0.1209677 0.2419355), wk = 0.0025707 k( 157) = ( 0.1149194 0.1149194 0.2298387), wk = 0.0025707 k( 158) = ( 0.1088710 0.1088710 0.2177419), wk = 0.0025707 k( 159) = ( 0.1028226 0.1028226 0.2056452), wk = 0.0025707 k( 160) = ( 0.0967742 0.0967742 0.1935484), wk = 0.0025707 k( 161) = ( 0.0907258 0.0907258 0.1814516), wk = 0.0025707 k( 162) = ( 0.0846774 0.0846774 0.1693548), wk = 0.0025707 k( 163) = ( 0.0786290 0.0786290 0.1572581), wk = 0.0025707 k( 164) = ( 0.0725806 0.0725806 0.1451613), wk = 0.0025707 k( 165) = ( 0.0665323 0.0665323 0.1330645), wk = 0.0025707 k( 166) = ( 0.0604839 0.0604839 0.1209677), wk = 0.0025707 k( 167) = ( 0.0544355 0.0544355 0.1088710), wk = 0.0025707 k( 168) = ( 0.0483871 0.0483871 0.0967742), wk = 0.0025707 k( 169) = ( 0.0423387 0.0423387 0.0846774), wk = 0.0025707 k( 170) = ( 0.0362903 0.0362903 0.0725806), wk = 0.0025707 k( 171) = ( 0.0302419 0.0302419 0.0604839), wk = 0.0025707 k( 172) = ( 0.0241936 0.0241936 0.0483871), wk = 0.0025707 k( 173) = ( 0.0181452 0.0181452 0.0362903), wk = 0.0025707 k( 174) = ( 0.0120968 0.0120968 0.0241936), wk = 0.0025707 k( 175) = ( 0.0060484 0.0060484 0.0120968), wk = 0.0025707 k( 176) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025707 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025707 k( 178) = ( 0.0098039 0.0098039 0.0098039), wk = 0.0025707 k( 179) = ( 0.0196078 0.0196078 0.0196078), wk = 0.0025707 k( 180) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0025707 k( 181) = ( 0.0392157 0.0392157 0.0392157), wk = 0.0025707 k( 182) = ( 0.0490196 0.0490196 0.0490196), wk = 0.0025707 k( 183) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0025707 k( 184) = ( 0.0686275 0.0686275 0.0686275), wk = 0.0025707 k( 185) = ( 0.0784314 0.0784314 0.0784314), wk = 0.0025707 k( 186) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0025707 k( 187) = ( 0.0980392 0.0980392 0.0980392), wk = 0.0025707 k( 188) = ( 0.1078431 0.1078431 0.1078431), wk = 0.0025707 k( 189) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0025707 k( 190) = ( 0.1274510 0.1274510 0.1274510), wk = 0.0025707 k( 191) = ( 0.1372549 0.1372549 0.1372549), wk = 0.0025707 k( 192) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0025707 k( 193) = ( 0.1568627 0.1568627 0.1568628), wk = 0.0025707 k( 194) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0025707 k( 195) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0025707 k( 196) = ( 0.1862745 0.1862745 0.1862745), wk = 0.0025707 k( 197) = ( 0.1960784 0.1960784 0.1960784), wk = 0.0025707 k( 198) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0025707 k( 199) = ( 0.2156863 0.2156863 0.2156863), wk = 0.0025707 k( 200) = ( 0.2254902 0.2254902 0.2254902), wk = 0.0025707 k( 201) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0025707 k( 202) = ( 0.2450980 0.2450980 0.2450980), wk = 0.0025707 k( 203) = ( 0.2549020 0.2549020 0.2549020), wk = 0.0025707 k( 204) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0025707 k( 205) = ( 0.2745098 0.2745098 0.2745098), wk = 0.0025707 k( 206) = ( 0.2843137 0.2843137 0.2843137), wk = 0.0025707 k( 207) = ( 0.2941177 0.2941177 0.2941177), wk = 0.0025707 k( 208) = ( 0.3039216 0.3039216 0.3039216), wk = 0.0025707 k( 209) = ( 0.3137255 0.3137255 0.3137255), wk = 0.0025707 k( 210) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0025707 k( 211) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0025707 k( 212) = ( 0.3431373 0.3431373 0.3431373), wk = 0.0025707 k( 213) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0025707 k( 214) = ( 0.3627451 0.3627451 0.3627451), wk = 0.0025707 k( 215) = ( 0.3725490 0.3725490 0.3725490), wk = 0.0025707 k( 216) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0025707 k( 217) = ( 0.3921569 0.3921569 0.3921569), wk = 0.0025707 k( 218) = ( 0.4019608 0.4019608 0.4019608), wk = 0.0025707 k( 219) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0025707 k( 220) = ( 0.4215686 0.4215686 0.4215686), wk = 0.0025707 k( 221) = ( 0.4313726 0.4313726 0.4313726), wk = 0.0025707 k( 222) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0025707 k( 223) = ( 0.4509804 0.4509804 0.4509804), wk = 0.0025707 k( 224) = ( 0.4607843 0.4607843 0.4607843), wk = 0.0025707 k( 225) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0025707 k( 226) = ( 0.4803922 0.4803922 0.4803922), wk = 0.0025707 k( 227) = ( 0.4901961 0.4901961 0.4901961), wk = 0.0025707 k( 228) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025707 k( 229) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025707 k( 230) = ( 0.5034722 0.4930556 0.5034722), wk = 0.0025707 k( 231) = ( 0.5069444 0.4861111 0.5069444), wk = 0.0025707 k( 232) = ( 0.5104167 0.4791667 0.5104167), wk = 0.0025707 k( 233) = ( 0.5138889 0.4722222 0.5138889), wk = 0.0025707 k( 234) = ( 0.5173611 0.4652778 0.5173611), wk = 0.0025707 k( 235) = ( 0.5208333 0.4583333 0.5208333), wk = 0.0025707 k( 236) = ( 0.5243056 0.4513889 0.5243056), wk = 0.0025707 k( 237) = ( 0.5277778 0.4444444 0.5277778), wk = 0.0025707 k( 238) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0025707 k( 239) = ( 0.5347222 0.4305556 0.5347222), wk = 0.0025707 k( 240) = ( 0.5381944 0.4236111 0.5381944), wk = 0.0025707 k( 241) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0025707 k( 242) = ( 0.5451389 0.4097222 0.5451389), wk = 0.0025707 k( 243) = ( 0.5486111 0.4027778 0.5486111), wk = 0.0025707 k( 244) = ( 0.5520833 0.3958333 0.5520833), wk = 0.0025707 k( 245) = ( 0.5555556 0.3888889 0.5555556), wk = 0.0025707 k( 246) = ( 0.5590278 0.3819444 0.5590278), wk = 0.0025707 k( 247) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0025707 k( 248) = ( 0.5659722 0.3680556 0.5659722), wk = 0.0025707 k( 249) = ( 0.5694444 0.3611111 0.5694444), wk = 0.0025707 k( 250) = ( 0.5729167 0.3541667 0.5729167), wk = 0.0025707 k( 251) = ( 0.5763889 0.3472222 0.5763889), wk = 0.0025707 k( 252) = ( 0.5798611 0.3402778 0.5798611), wk = 0.0025707 k( 253) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0025707 k( 254) = ( 0.5868056 0.3263889 0.5868056), wk = 0.0025707 k( 255) = ( 0.5902778 0.3194444 0.5902778), wk = 0.0025707 k( 256) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0025707 k( 257) = ( 0.5972222 0.3055556 0.5972222), wk = 0.0025707 k( 258) = ( 0.6006944 0.2986111 0.6006944), wk = 0.0025707 k( 259) = ( 0.6041667 0.2916667 0.6041667), wk = 0.0025707 k( 260) = ( 0.6076389 0.2847222 0.6076389), wk = 0.0025707 k( 261) = ( 0.6111111 0.2777778 0.6111111), wk = 0.0025707 k( 262) = ( 0.6145833 0.2708333 0.6145833), wk = 0.0025707 k( 263) = ( 0.6180556 0.2638889 0.6180556), wk = 0.0025707 k( 264) = ( 0.6215278 0.2569444 0.6215278), wk = 0.0025707 k( 265) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0025707 k( 266) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0025707 k( 267) = ( 0.6190476 0.2500000 0.6309524), wk = 0.0025707 k( 268) = ( 0.6130952 0.2500000 0.6369048), wk = 0.0025707 k( 269) = ( 0.6071429 0.2500000 0.6428571), wk = 0.0025707 k( 270) = ( 0.6011905 0.2500000 0.6488095), wk = 0.0025707 k( 271) = ( 0.5952381 0.2500000 0.6547619), wk = 0.0025707 k( 272) = ( 0.5892857 0.2500000 0.6607143), wk = 0.0025707 k( 273) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0025707 k( 274) = ( 0.5773810 0.2500000 0.6726191), wk = 0.0025707 k( 275) = ( 0.5714286 0.2500000 0.6785714), wk = 0.0025707 k( 276) = ( 0.5654762 0.2500000 0.6845238), wk = 0.0025707 k( 277) = ( 0.5595238 0.2500000 0.6904762), wk = 0.0025707 k( 278) = ( 0.5535714 0.2500000 0.6964286), wk = 0.0025707 k( 279) = ( 0.5476190 0.2500000 0.7023810), wk = 0.0025707 k( 280) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0025707 k( 281) = ( 0.5357143 0.2500000 0.7142857), wk = 0.0025707 k( 282) = ( 0.5297619 0.2500000 0.7202381), wk = 0.0025707 k( 283) = ( 0.5238095 0.2500000 0.7261905), wk = 0.0025707 k( 284) = ( 0.5178571 0.2500000 0.7321429), wk = 0.0025707 k( 285) = ( 0.5119048 0.2500000 0.7380952), wk = 0.0025707 k( 286) = ( 0.5059524 0.2500000 0.7440476), wk = 0.0025707 k( 287) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0025707 k( 288) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0025707 k( 289) = ( 0.5000000 0.2559524 0.7440476), wk = 0.0025707 k( 290) = ( 0.5000000 0.2619048 0.7380952), wk = 0.0025707 k( 291) = ( 0.5000000 0.2678571 0.7321429), wk = 0.0025707 k( 292) = ( 0.5000000 0.2738095 0.7261905), wk = 0.0025707 k( 293) = ( 0.5000000 0.2797619 0.7202381), wk = 0.0025707 k( 294) = ( 0.5000000 0.2857143 0.7142857), wk = 0.0025707 k( 295) = ( 0.5000000 0.2916667 0.7083333), wk = 0.0025707 k( 296) = ( 0.5000000 0.2976190 0.7023810), wk = 0.0025707 k( 297) = ( 0.5000000 0.3035714 0.6964286), wk = 0.0025707 k( 298) = ( 0.5000000 0.3095238 0.6904762), wk = 0.0025707 k( 299) = ( 0.5000000 0.3154762 0.6845238), wk = 0.0025707 k( 300) = ( 0.5000000 0.3214286 0.6785714), wk = 0.0025707 k( 301) = ( 0.5000000 0.3273810 0.6726191), wk = 0.0025707 k( 302) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0025707 k( 303) = ( 0.5000000 0.3392857 0.6607143), wk = 0.0025707 k( 304) = ( 0.5000000 0.3452381 0.6547619), wk = 0.0025707 k( 305) = ( 0.5000000 0.3511905 0.6488095), wk = 0.0025707 k( 306) = ( 0.5000000 0.3571429 0.6428571), wk = 0.0025707 k( 307) = ( 0.5000000 0.3630952 0.6369048), wk = 0.0025707 k( 308) = ( 0.5000000 0.3690476 0.6309524), wk = 0.0025707 k( 309) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0025707 k( 310) = ( 0.5000000 0.3809524 0.6190476), wk = 0.0025707 k( 311) = ( 0.5000000 0.3869048 0.6130952), wk = 0.0025707 k( 312) = ( 0.5000000 0.3928571 0.6071429), wk = 0.0025707 k( 313) = ( 0.5000000 0.3988095 0.6011905), wk = 0.0025707 k( 314) = ( 0.5000000 0.4047619 0.5952381), wk = 0.0025707 k( 315) = ( 0.5000000 0.4107143 0.5892857), wk = 0.0025707 k( 316) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0025707 k( 317) = ( 0.5000000 0.4226190 0.5773810), wk = 0.0025707 k( 318) = ( 0.5000000 0.4285714 0.5714286), wk = 0.0025707 k( 319) = ( 0.5000000 0.4345238 0.5654762), wk = 0.0025707 k( 320) = ( 0.5000000 0.4404762 0.5595238), wk = 0.0025707 k( 321) = ( 0.5000000 0.4464286 0.5535714), wk = 0.0025707 k( 322) = ( 0.5000000 0.4523810 0.5476191), wk = 0.0025707 k( 323) = ( 0.5000000 0.4583333 0.5416667), wk = 0.0025707 k( 324) = ( 0.5000000 0.4642857 0.5357143), wk = 0.0025707 k( 325) = ( 0.5000000 0.4702381 0.5297619), wk = 0.0025707 k( 326) = ( 0.5000000 0.4761905 0.5238095), wk = 0.0025707 k( 327) = ( 0.5000000 0.4821429 0.5178571), wk = 0.0025707 k( 328) = ( 0.5000000 0.4880952 0.5119048), wk = 0.0025707 k( 329) = ( 0.5000000 0.4940476 0.5059524), wk = 0.0025707 k( 330) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025707 k( 331) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025707 k( 332) = ( 0.4965278 0.4965278 0.5069444), wk = 0.0025707 k( 333) = ( 0.4930556 0.4930556 0.5138889), wk = 0.0025707 k( 334) = ( 0.4895833 0.4895833 0.5208333), wk = 0.0025707 k( 335) = ( 0.4861111 0.4861111 0.5277778), wk = 0.0025707 k( 336) = ( 0.4826389 0.4826389 0.5347222), wk = 0.0025707 k( 337) = ( 0.4791667 0.4791667 0.5416667), wk = 0.0025707 k( 338) = ( 0.4756944 0.4756944 0.5486111), wk = 0.0025707 k( 339) = ( 0.4722222 0.4722222 0.5555556), wk = 0.0025707 k( 340) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0025707 k( 341) = ( 0.4652778 0.4652778 0.5694444), wk = 0.0025707 k( 342) = ( 0.4618056 0.4618056 0.5763889), wk = 0.0025707 k( 343) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0025707 k( 344) = ( 0.4548611 0.4548611 0.5902778), wk = 0.0025707 k( 345) = ( 0.4513889 0.4513889 0.5972222), wk = 0.0025707 k( 346) = ( 0.4479167 0.4479167 0.6041667), wk = 0.0025707 k( 347) = ( 0.4444444 0.4444444 0.6111111), wk = 0.0025707 k( 348) = ( 0.4409722 0.4409722 0.6180556), wk = 0.0025707 k( 349) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0025707 k( 350) = ( 0.4340278 0.4340278 0.6319444), wk = 0.0025707 k( 351) = ( 0.4305556 0.4305556 0.6388889), wk = 0.0025707 k( 352) = ( 0.4270833 0.4270833 0.6458333), wk = 0.0025707 k( 353) = ( 0.4236111 0.4236111 0.6527778), wk = 0.0025707 k( 354) = ( 0.4201389 0.4201389 0.6597222), wk = 0.0025707 k( 355) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0025707 k( 356) = ( 0.4131944 0.4131944 0.6736111), wk = 0.0025707 k( 357) = ( 0.4097222 0.4097222 0.6805556), wk = 0.0025707 k( 358) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0025707 k( 359) = ( 0.4027778 0.4027778 0.6944444), wk = 0.0025707 k( 360) = ( 0.3993056 0.3993056 0.7013889), wk = 0.0025707 k( 361) = ( 0.3958333 0.3958333 0.7083333), wk = 0.0025707 k( 362) = ( 0.3923611 0.3923611 0.7152778), wk = 0.0025707 k( 363) = ( 0.3888889 0.3888889 0.7222222), wk = 0.0025707 k( 364) = ( 0.3854167 0.3854167 0.7291667), wk = 0.0025707 k( 365) = ( 0.3819444 0.3819444 0.7361111), wk = 0.0025707 k( 366) = ( 0.3784722 0.3784722 0.7430556), wk = 0.0025707 k( 367) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0025707 k( 368) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0025707 k( 369) = ( 0.6190476 0.2380952 0.6190476), wk = 0.0025707 k( 370) = ( 0.6130952 0.2261905 0.6130952), wk = 0.0025707 k( 371) = ( 0.6071429 0.2142857 0.6071429), wk = 0.0025707 k( 372) = ( 0.6011905 0.2023809 0.6011905), wk = 0.0025707 k( 373) = ( 0.5952381 0.1904762 0.5952381), wk = 0.0025707 k( 374) = ( 0.5892857 0.1785714 0.5892857), wk = 0.0025707 k( 375) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0025707 k( 376) = ( 0.5773810 0.1547619 0.5773810), wk = 0.0025707 k( 377) = ( 0.5714286 0.1428571 0.5714286), wk = 0.0025707 k( 378) = ( 0.5654762 0.1309524 0.5654762), wk = 0.0025707 k( 379) = ( 0.5595238 0.1190476 0.5595238), wk = 0.0025707 k( 380) = ( 0.5535714 0.1071429 0.5535714), wk = 0.0025707 k( 381) = ( 0.5476190 0.0952381 0.5476190), wk = 0.0025707 k( 382) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0025707 k( 383) = ( 0.5357143 0.0714286 0.5357143), wk = 0.0025707 k( 384) = ( 0.5297619 0.0595238 0.5297619), wk = 0.0025707 k( 385) = ( 0.5238095 0.0476190 0.5238095), wk = 0.0025707 k( 386) = ( 0.5178571 0.0357143 0.5178571), wk = 0.0025707 k( 387) = ( 0.5119048 0.0238095 0.5119048), wk = 0.0025707 k( 388) = ( 0.5059524 0.0119048 0.5059524), wk = 0.0025707 k( 389) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025707 Dense grid: 16361 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 10417 G-vectors FFT dimensions: ( 32, 32, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 88, 26) NL pseudopotentials 0.07 Mb ( 44, 102) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 456) G-vector shells 0.00 Mb ( 160) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.14 Mb ( 88, 104) Each subspace H/S matrix 0.01 Mb ( 26, 26) Each matrix 0.08 Mb ( 102, 2, 26) The potential is recalculated from file : ./Si2Ni.save/charge-density.dat Starting wfc are 34 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.0 secs Computing kpt #: 2 total cpu time spent up to now is 2.2 secs Computing kpt #: 3 total cpu time spent up to now is 2.3 secs Computing kpt #: 4 total cpu time spent up to now is 2.4 secs Computing kpt #: 5 total cpu time spent up to now is 2.5 secs Computing kpt #: 6 total cpu time spent up to now is 2.6 secs Computing kpt #: 7 total cpu time spent up to now is 2.7 secs Computing kpt #: 8 total cpu time spent up to now is 2.8 secs Computing kpt #: 9 total cpu time spent up to now is 2.9 secs Computing kpt #: 10 total cpu time spent up to now is 3.1 secs Computing kpt #: 11 total cpu time spent up to now is 3.2 secs Computing kpt #: 12 total cpu time spent up to now is 3.3 secs Computing kpt #: 13 total cpu time spent up to now is 3.5 secs Computing kpt #: 14 total cpu time spent up to now is 3.6 secs Computing kpt #: 15 total cpu time spent up to now is 3.7 secs Computing kpt #: 16 total cpu time spent up to now is 3.9 secs Computing kpt #: 17 total cpu time spent up to now is 4.0 secs Computing kpt #: 18 total cpu time spent up to now is 4.1 secs Computing kpt #: 19 total cpu time spent up to now is 4.2 secs Computing kpt #: 20 total cpu time spent up to now is 4.4 secs Computing kpt #: 21 total cpu time spent up to now is 4.5 secs Computing kpt #: 22 total cpu time spent up to now is 4.6 secs Computing kpt #: 23 total cpu time spent up to now is 4.7 secs Computing kpt #: 24 total cpu time spent up to now is 4.9 secs Computing kpt #: 25 total cpu time spent up to now is 5.0 secs Computing kpt #: 26 total cpu time spent up to now is 5.2 secs Computing kpt #: 27 total cpu time spent up to now is 5.3 secs Computing kpt #: 28 total cpu time spent up to now is 5.4 secs Computing kpt #: 29 total cpu time spent up to now is 5.6 secs Computing kpt #: 30 total cpu time spent up to now is 5.7 secs Computing kpt #: 31 total cpu time spent up to now is 5.8 secs Computing kpt #: 32 total cpu time spent up to 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total cpu time spent up to now is 10.5 secs Computing kpt #: 65 total cpu time spent up to now is 10.6 secs Computing kpt #: 66 total cpu time spent up to now is 10.7 secs Computing kpt #: 67 total cpu time spent up to now is 10.8 secs Computing kpt #: 68 total cpu time spent up to now is 10.9 secs Computing kpt #: 69 total cpu time spent up to now is 11.0 secs Computing kpt #: 70 total cpu time spent up to now is 11.1 secs Computing kpt #: 71 total cpu time spent up to now is 11.2 secs Computing kpt #: 72 total cpu time spent up to now is 11.3 secs Computing kpt #: 73 total cpu time spent up to now is 11.4 secs Computing kpt #: 74 total cpu time spent up to now is 11.6 secs Computing kpt #: 75 total cpu time spent up to now is 11.7 secs Computing kpt #: 76 total cpu time spent up to now is 11.8 secs Computing kpt #: 77 total cpu time spent up to now is 12.0 secs Computing kpt #: 78 total cpu time spent up to now is 12.1 secs Computing kpt #: 79 total cpu time spent up to now is 12.2 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Computing kpt #: 111 total cpu time spent up to now is 15.6 secs Computing kpt #: 112 total cpu time spent up to now is 15.7 secs Computing kpt #: 113 total cpu time spent up to now is 15.7 secs Computing kpt #: 114 total cpu time spent up to now is 15.8 secs Computing kpt #: 115 total cpu time spent up to now is 15.9 secs Computing kpt #: 116 total cpu time spent up to now is 16.0 secs Computing kpt #: 117 total cpu time spent up to now is 16.1 secs Computing kpt #: 118 total cpu time spent up to now is 16.2 secs Computing kpt #: 119 total cpu time spent up to now is 16.3 secs Computing kpt #: 120 total cpu time spent up to now is 16.5 secs Computing kpt #: 121 total cpu time spent up to now is 16.6 secs Computing kpt #: 122 total cpu time spent up to now is 16.7 secs Computing kpt #: 123 total cpu time spent up to now is 16.8 secs Computing kpt #: 124 total cpu time spent up to now is 16.9 secs Computing kpt #: 125 total cpu time spent up to now is 17.1 secs Computing kpt #: 126 total cpu time spent up to now is 17.2 secs Computing kpt #: 127 total cpu time spent up to now is 17.4 secs Computing kpt #: 128 total cpu time spent up to now is 17.6 secs Computing kpt #: 129 total cpu time spent up to now is 17.8 secs Computing kpt #: 130 total cpu time spent up to now is 18.0 secs Computing kpt #: 131 total cpu time spent up to now is 18.2 secs Computing kpt #: 132 total cpu time spent up to now is 18.4 secs Computing kpt #: 133 total cpu time spent up to now is 18.5 secs Computing kpt #: 134 total cpu time spent up to now is 18.6 secs Computing kpt #: 135 total cpu time spent up to now is 18.8 secs Computing kpt #: 136 total cpu time spent up to now is 18.9 secs Computing kpt #: 137 total cpu time spent up to now is 19.0 secs Computing kpt #: 138 total cpu time spent up to now is 19.1 secs Computing kpt #: 139 total cpu time spent up to now is 19.3 secs Computing kpt #: 140 total cpu time spent up to now is 19.4 secs Computing kpt #: 141 total cpu time spent up 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Computing kpt #: 203 total cpu time spent up to now is 26.9 secs Computing kpt #: 204 total cpu time spent up to now is 27.0 secs Computing kpt #: 205 total cpu time spent up to now is 27.1 secs Computing kpt #: 206 total cpu time spent up to now is 27.2 secs Computing kpt #: 207 total cpu time spent up to now is 27.3 secs Computing kpt #: 208 total cpu time spent up to now is 27.3 secs Computing kpt #: 209 total cpu time spent up to now is 27.4 secs Computing kpt #: 210 total cpu time spent up to now is 27.5 secs Computing kpt #: 211 total cpu time spent up to now is 27.6 secs Computing kpt #: 212 total cpu time spent up to now is 27.7 secs Computing kpt #: 213 total cpu time spent up to now is 27.8 secs Computing kpt #: 214 total cpu time spent up to now is 27.9 secs Computing kpt #: 215 total cpu time spent up to now is 28.0 secs Computing kpt #: 216 total cpu time spent up to now is 28.1 secs Computing kpt #: 217 total cpu time spent up to now is 28.2 secs Computing kpt #: 218 total cpu time spent up to now is 28.3 secs Computing kpt #: 219 total cpu time spent up to now is 28.4 secs Computing kpt #: 220 total cpu time spent up to now is 28.4 secs Computing kpt #: 221 total cpu time spent up to now is 28.5 secs Computing kpt #: 222 total cpu time spent up to now is 28.6 secs Computing kpt #: 223 total cpu time spent up to now is 28.7 secs Computing kpt #: 224 total cpu time spent up to now is 28.8 secs Computing kpt #: 225 total cpu time spent up to now is 28.9 secs Computing kpt #: 226 total cpu time spent up to now is 29.0 secs Computing kpt #: 227 total cpu time spent up to now is 29.1 secs Computing kpt #: 228 total cpu time spent up to now is 29.1 secs Computing kpt #: 229 total cpu time spent up to now is 29.2 secs Computing kpt #: 230 total cpu time spent up to now is 29.3 secs Computing kpt #: 231 total cpu time spent up to now is 29.4 secs Computing kpt #: 232 total cpu time spent up to now is 29.5 secs Computing kpt #: 233 total cpu time spent up to now is 29.6 secs Computing kpt #: 234 total cpu time spent up to now is 29.7 secs Computing kpt #: 235 total cpu time spent up to now is 29.8 secs Computing kpt #: 236 total cpu time spent up to now is 29.8 secs Computing kpt #: 237 total cpu time spent up to now is 29.9 secs Computing kpt #: 238 total cpu time spent up to now is 30.0 secs Computing kpt #: 239 total cpu time spent up to now is 30.1 secs Computing kpt #: 240 total cpu time spent up to now is 30.2 secs Computing kpt #: 241 total cpu time spent up to now is 30.3 secs Computing kpt #: 242 total cpu time spent up to now is 30.4 secs Computing kpt #: 243 total cpu time spent up to now is 30.5 secs Computing kpt #: 244 total cpu time spent up to now is 30.6 secs Computing kpt #: 245 total cpu time spent up to now is 30.7 secs Computing kpt #: 246 total cpu time spent up to now is 30.8 secs Computing kpt #: 247 total cpu time spent up to now is 30.9 secs Computing kpt #: 248 total cpu time spent up to now is 31.1 secs Computing kpt #: 249 total cpu time spent up to now is 31.2 secs Computing kpt #: 250 total cpu time spent up to now is 31.3 secs Computing kpt #: 251 total cpu time spent up to now is 31.4 secs Computing kpt #: 252 total cpu time spent up to now is 31.5 secs Computing kpt #: 253 total cpu time spent up to now is 31.7 secs Computing kpt #: 254 total cpu time spent up to now is 31.8 secs Computing kpt #: 255 total cpu time spent up to now is 31.9 secs Computing kpt #: 256 total cpu time spent up to now is 32.0 secs Computing kpt #: 257 total cpu time spent up to now is 32.1 secs Computing kpt #: 258 total cpu time spent up to now is 32.2 secs Computing kpt #: 259 total cpu time spent up to now is 32.3 secs Computing kpt #: 260 total cpu time spent up to now is 32.4 secs Computing kpt #: 261 total cpu time spent up to now is 32.5 secs Computing kpt #: 262 total cpu time spent up to now is 32.6 secs Computing kpt #: 263 total cpu time spent up to now is 32.7 secs Computing kpt #: 264 total cpu time spent up to now is 32.8 secs Computing kpt #: 265 total cpu time spent up to now is 32.9 secs Computing kpt #: 266 total cpu time spent up to now is 33.0 secs Computing kpt #: 267 total cpu time spent up to now is 33.1 secs Computing kpt #: 268 total cpu time spent up to now is 33.2 secs Computing kpt #: 269 total cpu time spent up to now is 33.3 secs Computing kpt #: 270 total cpu time spent up to now is 33.4 secs Computing kpt #: 271 total cpu time spent up to now is 33.5 secs Computing kpt #: 272 total cpu time spent up to now is 33.6 secs Computing kpt #: 273 total cpu time spent up to now is 33.7 secs Computing kpt #: 274 total cpu time spent up to now is 33.8 secs Computing kpt #: 275 total cpu time spent up to now is 33.9 secs Computing kpt #: 276 total cpu time spent up to now is 34.1 secs Computing kpt #: 277 total cpu time spent up to now is 34.2 secs Computing kpt #: 278 total cpu time spent up to now is 34.3 secs Computing kpt #: 279 total cpu time spent up to now is 34.4 secs Computing kpt #: 280 total cpu time spent up to now is 34.5 secs Computing kpt #: 281 total cpu time spent up to now is 34.6 secs Computing kpt #: 282 total cpu time spent up to now is 34.7 secs Computing kpt #: 283 total cpu time spent up to now is 34.8 secs Computing kpt #: 284 total cpu time spent up to now is 34.9 secs Computing kpt #: 285 total cpu time spent up to now is 35.0 secs Computing kpt #: 286 total cpu time spent up to now is 35.1 secs Computing kpt #: 287 total cpu time spent up to now is 35.2 secs Computing kpt #: 288 total cpu time spent up to now is 35.3 secs Computing kpt #: 289 total cpu time spent up to now is 35.4 secs Computing kpt #: 290 total cpu time spent up to now is 35.5 secs Computing kpt #: 291 total cpu time spent up to now is 35.6 secs Computing kpt #: 292 total cpu time spent up to now is 35.7 secs Computing kpt #: 293 total cpu time spent up to now is 35.8 secs Computing kpt #: 294 total cpu time spent up to now is 35.9 secs Computing kpt #: 295 total cpu time spent up to now is 36.0 secs Computing kpt #: 296 total cpu time spent up to now is 36.1 secs Computing kpt #: 297 total cpu time spent up to now is 36.2 secs Computing kpt #: 298 total cpu time spent up to now is 36.3 secs Computing kpt #: 299 total cpu time spent up to now is 36.4 secs Computing kpt #: 300 total cpu time spent up to now is 36.5 secs Computing kpt #: 301 total cpu time spent up to now is 36.7 secs Computing kpt #: 302 total cpu time spent up to now is 36.8 secs Computing kpt #: 303 total cpu time spent up to now is 36.9 secs Computing kpt #: 304 total cpu time spent up to now is 37.0 secs Computing kpt #: 305 total cpu time spent up to now is 37.2 secs Computing kpt #: 306 total cpu time spent up to now is 37.3 secs Computing kpt #: 307 total cpu time spent up to now is 37.4 secs Computing kpt #: 308 total cpu time spent up to now is 37.5 secs Computing kpt #: 309 total cpu time spent up to now is 37.7 secs Computing kpt #: 310 total cpu time spent up to now is 37.8 secs Computing kpt #: 311 total cpu time spent up to now is 38.1 secs Computing kpt #: 312 total cpu time spent up to now is 38.2 secs Computing kpt #: 313 total cpu time spent up to now is 38.3 secs Computing kpt #: 314 total cpu time spent up to now is 38.4 secs Computing kpt #: 315 total cpu time spent up to now is 38.5 secs Computing kpt #: 316 total cpu time spent up to now is 38.6 secs Computing kpt #: 317 total cpu time spent up to now is 38.7 secs Computing kpt #: 318 total cpu time spent up to now is 38.8 secs Computing kpt #: 319 total cpu time spent up to now is 38.9 secs Computing kpt #: 320 total cpu time spent up to now is 39.0 secs Computing kpt #: 321 total cpu time spent up to now is 39.1 secs Computing kpt #: 322 total cpu time spent up to now is 39.2 secs Computing kpt #: 323 total cpu time spent up to now is 39.3 secs Computing kpt #: 324 total cpu time spent up to now is 39.4 secs Computing kpt #: 325 total cpu time spent up to now is 39.5 secs Computing kpt #: 326 total cpu time spent up to now is 39.5 secs Computing kpt #: 327 total cpu time spent up to now is 39.6 secs Computing kpt #: 328 total cpu time spent up to now is 39.7 secs Computing kpt #: 329 total cpu time spent up to now is 39.8 secs Computing kpt #: 330 total cpu time spent up to now is 39.9 secs Computing kpt #: 331 total cpu time spent up to now is 40.0 secs Computing kpt #: 332 total cpu time spent up to now is 40.1 secs Computing kpt #: 333 total cpu time spent up to now is 40.1 secs Computing kpt #: 334 total cpu time spent up to now is 40.2 secs Computing kpt #: 335 total cpu time spent up to now is 40.3 secs Computing kpt #: 336 total cpu time spent up to now is 40.4 secs Computing kpt #: 337 total cpu time spent up to now is 40.5 secs Computing kpt #: 338 total cpu time spent up to now is 40.6 secs Computing kpt #: 339 total cpu time spent up to now is 40.7 secs Computing kpt #: 340 total cpu time spent up to now is 40.8 secs Computing kpt #: 341 total cpu time spent up to now is 40.9 secs Computing kpt #: 342 total cpu time spent up to now is 41.0 secs Computing kpt #: 343 total cpu time spent up to now is 41.1 secs Computing kpt #: 344 total cpu time spent up to now is 41.2 secs Computing kpt #: 345 total cpu time spent up to now is 41.3 secs Computing kpt #: 346 total cpu time spent up to now is 41.4 secs Computing kpt #: 347 total cpu time spent up to now is 41.5 secs Computing kpt #: 348 total cpu time spent up to now is 41.6 secs Computing kpt #: 349 total cpu time spent up to now is 41.7 secs Computing kpt #: 350 total cpu time spent up to now is 41.8 secs Computing kpt #: 351 total cpu time spent up to now is 41.9 secs Computing kpt #: 352 total cpu time spent up to now is 42.0 secs Computing kpt #: 353 total cpu time spent up to now is 42.2 secs Computing kpt #: 354 total cpu time spent up to now is 42.3 secs Computing kpt #: 355 total cpu time spent up to now is 42.4 secs Computing kpt #: 356 total cpu time spent up to now is 42.5 secs Computing kpt #: 357 total cpu time spent up to now is 42.6 secs Computing kpt #: 358 total cpu time spent up to now is 42.7 secs Computing kpt #: 359 total cpu time spent up to now is 43.0 secs Computing kpt #: 360 total cpu time spent up to now is 43.1 secs Computing kpt #: 361 total cpu time spent up to now is 43.2 secs Computing kpt #: 362 total cpu time spent up to now is 43.3 secs Computing kpt #: 363 total cpu time spent up to now is 43.4 secs Computing kpt #: 364 total cpu time spent up to now is 43.5 secs Computing kpt #: 365 total cpu time spent up to now is 43.6 secs Computing kpt #: 366 total cpu time spent up to now is 43.7 secs Computing kpt #: 367 total cpu time spent up to now is 43.8 secs Computing kpt #: 368 total cpu time spent up to now is 43.9 secs Computing kpt #: 369 total cpu time spent up to now is 44.0 secs Computing kpt #: 370 total cpu time spent up to now is 44.1 secs Computing kpt #: 371 total cpu time spent up to now is 44.2 secs Computing kpt #: 372 total cpu time spent up to now is 44.3 secs Computing kpt #: 373 total cpu time spent up to now is 44.3 secs Computing kpt #: 374 total cpu time spent up to now is 44.4 secs Computing kpt #: 375 total cpu time spent up to now is 44.5 secs Computing kpt #: 376 total cpu time spent up to now is 44.6 secs Computing kpt #: 377 total cpu time spent up to now is 44.7 secs Computing kpt #: 378 total cpu time spent up to now is 44.8 secs Computing kpt #: 379 total cpu time spent up to now is 44.9 secs Computing kpt #: 380 total cpu time spent up to now is 45.0 secs Computing kpt #: 381 total cpu time spent up to now is 45.1 secs Computing kpt #: 382 total cpu time spent up to now is 45.2 secs Computing kpt #: 383 total cpu time spent up to now is 45.3 secs Computing kpt #: 384 total cpu time spent up to now is 45.4 secs Computing kpt #: 385 total cpu time spent up to now is 45.5 secs Computing kpt #: 386 total cpu time spent up to now is 45.6 secs Computing kpt #: 387 total cpu time spent up to now is 45.8 secs Computing kpt #: 388 total cpu time spent up to now is 45.9 secs Computing kpt #: 389 total cpu time spent up to now is 46.1 secs ethr = 5.56E-08, avg # of iterations = 15.8 total cpu time spent up to now is 46.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1291 PWs) bands (ev): -1.8273 -1.8273 6.8294 6.8294 6.8294 6.8294 6.8899 6.8899 8.5546 8.5546 8.5546 8.5546 11.8717 11.8717 13.8211 13.8211 13.8211 13.8211 13.8678 13.8678 14.2521 14.2521 14.3902 14.3902 14.3902 14.3902 k = 0.0085-0.0049 0.0069 ( 1311 PWs) bands (ev): -1.8259 -1.8259 6.8277 6.8277 6.8292 6.8292 6.8889 6.8889 8.5535 8.5535 8.5548 8.5548 11.8710 11.8710 13.7736 13.7736 13.7994 13.7994 13.8524 13.8524 14.2806 14.2806 14.4052 14.4052 14.4344 14.4344 k = 0.0169-0.0098 0.0138 ( 1323 PWs) bands (ev): -1.8216 -1.8216 6.8229 6.8229 6.8294 6.8294 6.8870 6.8870 8.5508 8.5508 8.5554 8.5554 11.8691 11.8691 13.6656 13.6656 13.7068 13.7068 13.8599 13.8599 14.3011 14.3011 14.4811 14.4811 14.5408 14.5408 k = 0.0254-0.0147 0.0208 ( 1315 PWs) bands (ev): -1.8145 -1.8145 6.8146 6.8146 6.8302 6.8302 6.8848 6.8848 8.5466 8.5466 8.5568 8.5568 11.8659 11.8659 13.5351 13.5351 13.5828 13.5828 13.8843 13.8843 14.2837 14.2837 14.6093 14.6093 14.6762 14.6762 k = 0.0339-0.0196 0.0277 ( 1315 PWs) bands (ev): -1.8045 -1.8045 6.8020 6.8020 6.8310 6.8310 6.8828 6.8828 8.5405 8.5405 8.5587 8.5587 11.8617 11.8617 13.3967 13.3967 13.4480 13.4480 13.9196 13.9196 14.2467 14.2467 14.7570 14.7570 14.8252 14.8252 k = 0.0424-0.0245 0.0346 ( 1307 PWs) bands (ev): -1.7916 -1.7916 6.7849 6.7849 6.8323 6.8323 6.8815 6.8815 8.5327 8.5327 8.5613 8.5613 11.8565 11.8565 13.2556 13.2556 13.3092 13.3092 13.9651 13.9651 14.1953 14.1953 14.9134 14.9134 14.9817 14.9817 k = 0.0508-0.0294 0.0415 ( 1307 PWs) bands (ev): -1.7759 -1.7759 6.7631 6.7631 6.8337 6.8337 6.8809 6.8809 8.5230 8.5230 8.5642 8.5642 11.8505 11.8505 13.1138 13.1138 13.1692 13.1692 14.0199 14.0199 14.1307 14.1307 15.0747 15.0747 15.1430 15.1430 k = 0.0593-0.0342 0.0484 ( 1307 PWs) bands (ev): -1.7574 -1.7574 6.7370 6.7370 6.8354 6.8354 6.8810 6.8810 8.5116 8.5116 8.5677 8.5677 11.8439 11.8439 12.9726 12.9726 13.0292 13.0292 14.0530 14.0530 14.0839 14.0839 15.2392 15.2392 15.3078 15.3078 k = 0.0678-0.0391 0.0554 ( 1307 PWs) bands (ev): -1.7360 -1.7360 6.7069 6.7069 6.8374 6.8374 6.8818 6.8818 8.4983 8.4983 8.5717 8.5717 11.8369 11.8369 12.8324 12.8324 12.8901 12.8901 13.9623 13.9623 14.1565 14.1565 15.4060 15.4060 15.4750 15.4750 k = 0.0763-0.0440 0.0623 ( 1299 PWs) bands (ev): -1.7118 -1.7118 6.6732 6.6732 6.8397 6.8397 6.8833 6.8833 8.4831 8.4831 8.5763 8.5763 11.8295 11.8295 12.6936 12.6936 12.7521 12.7521 13.8586 13.8586 14.2375 14.2375 15.5741 15.5741 15.6440 15.6440 k = 0.0847-0.0489 0.0692 ( 1299 PWs) bands (ev): -1.6848 -1.6848 6.6360 6.6360 6.8423 6.8423 6.8852 6.8852 8.4660 8.4660 8.5814 8.5814 11.8221 11.8221 12.5563 12.5563 12.6157 12.6157 13.7421 13.7421 14.3262 14.3262 15.6592 15.6592 15.7460 15.7460 k = 0.0932-0.0538 0.0761 ( 1299 PWs) bands (ev): -1.6549 -1.6549 6.5957 6.5957 6.8452 6.8452 6.8875 6.8875 8.4468 8.4468 8.5869 8.5869 11.8145 11.8145 12.4207 12.4207 12.4808 12.4808 13.6130 13.6130 14.4224 14.4224 15.5227 15.5227 15.9138 15.9138 k = 0.1017-0.0587 0.0830 ( 1299 PWs) bands (ev): -1.6222 -1.6222 6.5527 6.5527 6.8485 6.8485 6.8903 6.8903 8.4256 8.4256 8.5928 8.5928 11.8071 11.8071 12.2869 12.2869 12.3478 12.3478 13.4722 13.4722 14.5256 14.5256 15.3925 15.3925 16.0819 16.0820 k = 0.1102-0.0636 0.0900 ( 1307 PWs) bands (ev): -1.5867 -1.5867 6.5072 6.5072 6.8520 6.8520 6.8935 6.8935 8.4021 8.4021 8.5993 8.5993 11.7996 11.7996 12.1549 12.1549 12.2167 12.2167 13.3206 13.3206 14.6356 14.6356 15.2701 15.2701 16.2477 16.2477 k = 0.1186-0.0685 0.0969 ( 1307 PWs) bands (ev): -1.5484 -1.5484 6.4595 6.4595 6.8560 6.8560 6.8971 6.8971 8.3766 8.3766 8.6062 8.6062 11.7921 11.7921 12.0247 12.0247 12.0877 12.0877 13.1596 13.1596 14.7519 14.7519 15.1557 15.1557 16.4091 16.4091 k = 0.1271-0.0734 0.1038 ( 1307 PWs) bands (ev): -1.5072 -1.5072 6.4099 6.4099 6.8604 6.8604 6.9013 6.9013 8.3487 8.3487 8.6135 8.6135 11.7841 11.7841 11.8964 11.8964 11.9615 11.9615 12.9904 12.9904 14.8743 14.8743 15.0489 15.0489 16.5636 16.5636 k = 0.1356-0.0783 0.1107 ( 1307 PWs) bands (ev): -1.4633 -1.4633 6.3586 6.3586 6.8652 6.8652 6.9058 6.9058 8.3185 8.3185 8.6212 8.6212 11.7700 11.7700 11.7710 11.7710 11.8426 11.8426 12.8145 12.8145 14.9491 14.9491 15.0023 15.0023 16.7084 16.7084 k = 0.1441-0.0832 0.1176 ( 1307 PWs) bands (ev): -1.4166 -1.4166 6.3059 6.3059 6.8704 6.8704 6.9108 6.9108 8.2856 8.2856 8.6293 8.6293 11.6455 11.6455 11.6994 11.6994 11.7844 11.7844 12.6334 12.6334 14.8558 14.8558 15.1358 15.1358 16.8410 16.8410 k = 0.1525-0.0881 0.1246 ( 1307 PWs) bands (ev): -1.3671 -1.3671 6.2521 6.2521 6.8761 6.8761 6.9163 6.9163 8.2501 8.2501 8.6378 8.6378 11.5229 11.5229 11.5825 11.5825 11.7738 11.7738 12.4485 12.4485 14.7683 14.7683 15.2744 15.2744 16.9603 16.9603 k = 0.1610-0.0930 0.1315 ( 1307 PWs) bands (ev): -1.3149 -1.3149 6.1974 6.1974 6.8823 6.8823 6.9223 6.9223 8.2118 8.2118 8.6466 8.6466 11.4022 11.4022 11.4638 11.4638 11.7674 11.7674 12.2611 12.2611 14.6861 14.6861 15.4180 15.4180 17.0670 17.0670 k = 0.1695-0.0979 0.1384 ( 1311 PWs) bands (ev): -1.2599 -1.2599 6.1419 6.1419 6.8889 6.8889 6.9288 6.9288 8.1702 8.1702 8.6557 8.6557 11.2834 11.2834 11.3463 11.3463 11.7621 11.7621 12.0723 12.0723 14.6087 14.6087 15.5661 15.5661 17.1636 17.1636 k = 0.1780-0.1027 0.1453 ( 1311 PWs) bands (ev): -1.2021 -1.2021 6.0860 6.0860 6.8961 6.8961 6.9358 6.9358 8.1255 8.1255 8.6652 8.6652 11.1665 11.1665 11.2305 11.2305 11.7574 11.7574 11.8833 11.8833 14.5357 14.5357 15.7187 15.7187 17.2530 17.2530 k = 0.1864-0.1076 0.1522 ( 1311 PWs) bands (ev): -1.1416 -1.1416 6.0297 6.0297 6.9038 6.9038 6.9433 6.9433 8.0774 8.0774 8.6748 8.6748 11.0513 11.0513 11.1166 11.1166 11.6951 11.6951 11.7532 11.7532 14.4667 14.4667 15.8755 15.8755 17.3377 17.3377 k = 0.1949-0.1125 0.1591 ( 1307 PWs) bands (ev): -1.0784 -1.0784 5.9734 5.9734 6.9121 6.9121 6.9515 6.9515 8.0257 8.0257 8.6848 8.6848 10.9380 10.9380 11.0046 11.0046 11.5088 11.5088 11.7493 11.7493 14.4014 14.4014 16.0362 16.0362 17.4196 17.4196 k = 0.2034-0.1174 0.1661 ( 1307 PWs) bands (ev): -1.0125 -1.0125 5.9171 5.9171 6.9209 6.9209 6.9602 6.9602 7.9697 7.9697 8.6949 8.6949 10.8263 10.8263 10.8945 10.8945 11.3253 11.3253 11.7459 11.7459 14.3395 14.3395 16.2007 16.2007 17.5002 17.5002 k = 0.2119-0.1223 0.1730 ( 1307 PWs) bands (ev): -0.9440 -0.9440 5.8610 5.8610 6.9303 6.9303 6.9695 6.9695 7.9094 7.9094 8.7053 8.7053 10.7162 10.7162 10.7863 10.7863 11.1454 11.1454 11.7427 11.7427 14.2808 14.2808 16.3688 16.3688 17.5804 17.5804 k = 0.2203-0.1272 0.1799 ( 1307 PWs) bands (ev): -0.8727 -0.8727 5.8054 5.8054 6.9402 6.9402 6.9794 6.9794 7.8444 7.8444 8.7157 8.7157 10.6076 10.6076 10.6801 10.6801 10.9703 10.9703 11.7399 11.7399 14.2252 14.2252 16.5403 16.5403 17.6610 17.6610 k = 0.2288-0.1321 0.1868 ( 1307 PWs) bands (ev): -0.7989 -0.7989 5.7502 5.7502 6.9508 6.9508 6.9900 6.9900 7.7743 7.7743 8.7263 8.7263 10.5001 10.5001 10.5759 10.5759 10.8009 10.8009 11.7373 11.7373 14.1725 14.1725 16.7150 16.7150 17.7424 17.7424 k = 0.2373-0.1370 0.1937 ( 1307 PWs) bands (ev): -0.7224 -0.7224 5.6957 5.6957 6.9620 6.9620 7.0012 7.0012 7.6989 7.6989 8.7370 8.7370 10.3932 10.3932 10.4737 10.4737 10.6384 10.6384 11.7351 11.7351 14.1226 14.1226 16.8927 16.8927 17.8248 17.8248 k = 0.2458-0.1419 0.2007 ( 1299 PWs) bands (ev): -0.6433 -0.6433 5.6420 5.6420 6.9738 6.9738 7.0132 7.0132 7.6180 7.6180 8.7478 8.7478 10.2863 10.2863 10.3735 10.3735 10.4844 10.4844 11.7330 11.7330 14.0753 14.0753 17.0733 17.0733 17.9086 17.9086 k = 0.2542-0.1468 0.2076 ( 1299 PWs) bands (ev): -0.5616 -0.5616 5.5891 5.5891 6.9861 6.9861 7.0258 7.0258 7.5310 7.5310 8.7586 8.7586 10.1779 10.1779 10.2753 10.2753 10.3406 10.3406 11.7312 11.7312 14.0305 14.0305 17.2566 17.2566 17.9938 17.9938 k = 0.2627-0.1517 0.2145 ( 1299 PWs) bands (ev): -0.4774 -0.4774 5.5373 5.5373 6.9987 6.9987 7.0391 7.0391 7.4380 7.4380 8.7693 8.7693 10.0669 10.0669 10.1791 10.1791 10.2088 10.2088 11.7296 11.7296 13.9882 13.9882 17.4423 17.4423 18.0806 18.0806 k = 0.2712-0.1566 0.2214 ( 1307 PWs) bands (ev): -0.3907 -0.3907 5.4864 5.4864 7.0111 7.0111 7.0530 7.0530 7.3393 7.3393 8.7801 8.7801 9.9531 9.9531 10.0848 10.0848 10.0896 10.0896 11.7281 11.7281 13.9482 13.9482 17.6304 17.6304 18.1690 18.1690 k = 0.2797-0.1615 0.2283 ( 1315 PWs) bands (ev): -0.3016 -0.3016 5.4369 5.4369 7.0221 7.0221 7.0677 7.0677 7.2361 7.2361 8.7905 8.7905 9.8383 9.8383 9.9814 9.9814 9.9926 9.9926 11.7268 11.7268 13.9105 13.9105 17.8206 17.8206 18.2589 18.2589 k = 0.2881-0.1664 0.2353 ( 1311 PWs) bands (ev): -0.2100 -0.2100 5.3886 5.3886 7.0240 7.0240 7.0832 7.0832 7.1368 7.1368 8.8010 8.8010 9.7258 9.7258 9.8814 9.8814 9.9025 9.9025 11.7257 11.7257 13.8750 13.8750 18.0127 18.0127 18.3505 18.3505 k = 0.2966-0.1712 0.2422 ( 1311 PWs) bands (ev): -0.1160 -0.1160 5.3417 5.3417 6.9695 6.9695 7.0880 7.0880 7.0994 7.0994 8.8114 8.8114 9.6178 9.6178 9.7872 9.7872 9.8145 9.8145 11.7248 11.7248 13.8416 13.8416 18.2066 18.2066 18.4436 18.4436 k = 0.3051-0.1761 0.2491 ( 1303 PWs) bands (ev): -0.0198 -0.0198 5.2963 5.2963 6.8569 6.8569 7.0923 7.0923 7.1165 7.1165 8.8216 8.8216 9.5156 9.5156 9.6974 9.6974 9.7287 9.7287 11.7240 11.7240 13.8102 13.8102 18.4020 18.4020 18.5383 18.5383 k = 0.3136-0.1810 0.2560 ( 1299 PWs) bands (ev): 0.0788 0.0788 5.2524 5.2524 6.7294 6.7294 7.1067 7.1067 7.1342 7.1342 8.8315 8.8315 9.4200 9.4200 9.6111 9.6111 9.6449 9.6449 11.7233 11.7233 13.7807 13.7807 18.5986 18.5986 18.6344 18.6344 k = 0.3220-0.1859 0.2629 ( 1299 PWs) bands (ev): 0.1795 0.1795 5.2100 5.2100 6.5948 6.5948 7.1238 7.1238 7.1526 7.1526 8.8412 8.8412 9.3309 9.3309 9.5280 9.5280 9.5633 9.5633 11.7227 11.7227 13.7531 13.7531 18.7318 18.7318 18.7915 18.7915 k = 0.3305-0.1908 0.2699 ( 1299 PWs) bands (ev): 0.2824 0.2824 5.1693 5.1693 6.4551 6.4551 7.1424 7.1424 7.1717 7.1717 8.8504 8.8504 9.2482 9.2482 9.4478 9.4478 9.4840 9.4840 11.7222 11.7222 13.7274 13.7274 18.8305 18.8305 18.8912 18.8912 k = 0.3390-0.1957 0.2768 ( 1299 PWs) bands (ev): 0.3873 0.3873 5.1302 5.1302 6.3112 6.3112 7.1621 7.1621 7.1915 7.1915 8.8593 8.8593 9.1715 9.1715 9.3706 9.3706 9.4071 9.4071 11.7218 11.7218 13.7034 13.7034 18.9303 18.9303 18.9909 18.9909 k = 0.3475-0.2006 0.2837 ( 1299 PWs) bands (ev): 0.4941 0.4941 5.0928 5.0928 6.1641 6.1641 7.1827 7.1827 7.2119 7.2119 8.8676 8.8676 9.1005 9.1005 9.2963 9.2963 9.3326 9.3326 11.7215 11.7215 13.6810 13.6810 19.0310 19.0310 19.0916 19.0916 k = 0.3559-0.2055 0.2906 ( 1291 PWs) bands (ev): 0.6027 0.6027 5.0573 5.0573 6.0145 6.0145 7.2041 7.2041 7.2330 7.2330 8.8752 8.8752 9.0348 9.0348 9.2252 9.2252 9.2608 9.2608 11.7212 11.7212 13.6603 13.6603 19.1325 19.1325 19.1930 19.1930 k = 0.3644-0.2104 0.2975 ( 1299 PWs) bands (ev): 0.7129 0.7129 5.0236 5.0236 5.8630 5.8630 7.2261 7.2261 7.2546 7.2546 8.8818 8.8818 8.9733 8.9733 9.1572 9.1572 9.1920 9.1920 11.7210 11.7210 13.6410 13.6410 19.2345 19.2345 19.2949 19.2949 k = 0.3729-0.2153 0.3045 ( 1299 PWs) bands (ev): 0.8246 0.8246 4.9917 4.9917 5.7104 5.7104 7.2487 7.2487 7.2766 7.2766 8.8868 8.8868 8.9160 8.9160 9.0927 9.0927 9.1268 9.1268 11.7209 11.7209 13.6233 13.6233 19.3367 19.3367 19.3971 19.3971 k = 0.3814-0.2202 0.3114 ( 1299 PWs) bands (ev): 0.9375 0.9375 4.9617 4.9617 5.5575 5.5575 7.2718 7.2718 7.2991 7.2991 8.8621 8.8621 8.8891 8.8891 9.0322 9.0322 9.0665 9.0665 11.7207 11.7207 13.6070 13.6070 19.4388 19.4388 19.4993 19.4993 k = 0.3898-0.2251 0.3183 ( 1302 PWs) bands (ev): 1.0514 1.0514 4.9336 4.9336 5.4048 5.4048 7.2953 7.2953 7.3218 7.3218 8.8109 8.8109 8.8853 8.8853 8.9758 8.9758 9.0144 9.0144 11.7206 11.7206 13.5921 13.5921 19.5405 19.5405 19.6009 19.6009 k = 0.3983-0.2300 0.3252 ( 1302 PWs) bands (ev): 1.1659 1.1659 4.9075 4.9075 5.2531 5.2531 7.3191 7.3191 7.3447 7.3447 8.7621 8.7621 8.8686 8.8686 8.9241 8.9241 8.9776 8.9776 11.7206 11.7206 13.5785 13.5785 19.6413 19.6413 19.7014 19.7014 k = 0.4068-0.2349 0.3321 ( 1306 PWs) bands (ev): 1.2806 1.2806 4.8834 4.8834 5.1031 5.1031 7.3429 7.3429 7.3676 7.3676 8.7150 8.7150 8.8348 8.8348 8.8773 8.8773 8.9603 8.9603 11.7205 11.7205 13.5662 13.5662 19.7405 19.7405 19.7657 19.7657 k = 0.4153-0.2397 0.3391 ( 1298 PWs) bands (ev): 1.3950 1.3950 4.8613 4.8613 4.9557 4.9557 7.3668 7.3668 7.3904 7.3904 8.6697 8.6697 8.7916 8.7916 8.8357 8.8357 8.9555 8.9555 11.7206 11.7206 13.5551 13.5551 19.7817 19.7817 19.8376 19.8376 k = 0.4237-0.2446 0.3460 ( 1302 PWs) bands (ev): 1.5083 1.5083 4.8118 4.8118 4.8413 4.8413 7.3902 7.3902 7.4127 7.4127 8.6261 8.6261 8.7461 8.7461 8.7990 8.7990 8.9556 8.9556 11.7206 11.7206 13.5452 13.5452 19.7962 19.7962 19.9317 19.9317 k = 0.4322-0.2495 0.3529 ( 1302 PWs) bands (ev): 1.6197 1.6197 4.6726 4.6726 4.8233 4.8233 7.4130 7.4130 7.4342 7.4342 8.5846 8.5846 8.7019 8.7019 8.7673 8.7673 8.9574 8.9574 11.7206 11.7206 13.5364 13.5364 19.8094 19.8094 20.0218 20.0218 k = 0.4407-0.2544 0.3598 ( 1302 PWs) bands (ev): 1.7278 1.7278 4.5395 4.5395 4.8074 4.8074 7.4349 7.4349 7.4548 7.4548 8.5456 8.5456 8.6607 8.6607 8.7402 8.7402 8.9599 8.9599 11.7206 11.7206 13.5287 13.5287 19.8213 19.8213 20.1069 20.1069 k = 0.4492-0.2593 0.3667 ( 1310 PWs) bands (ev): 1.8312 1.8312 4.4142 4.4142 4.7936 4.7936 7.4554 7.4554 7.4739 7.4739 8.5097 8.5097 8.6230 8.6230 8.7173 8.7173 8.9624 8.9624 11.7206 11.7206 13.5222 13.5222 19.8317 19.8317 20.1856 20.1856 k = 0.4576-0.2642 0.3737 ( 1310 PWs) bands (ev): 1.9277 1.9277 4.2989 4.2989 4.7819 4.7819 7.4740 7.4740 7.4912 7.4912 8.4777 8.4777 8.5900 8.5900 8.6985 8.6985 8.9648 8.9648 11.7206 11.7206 13.5167 13.5167 19.8407 19.8407 20.2564 20.2564 k = 0.4661-0.2691 0.3806 ( 1302 PWs) bands (ev): 2.0146 2.0146 4.1965 4.1965 4.7723 4.7723 7.4903 7.4903 7.5062 7.5062 8.4505 8.4505 8.5621 8.5621 8.6834 8.6834 8.9670 8.9670 11.7207 11.7207 13.5122 13.5122 19.8481 19.8481 20.3177 20.3177 k = 0.4746-0.2740 0.3875 ( 1298 PWs) bands (ev): 2.0886 2.0886 4.1104 4.1104 4.7648 4.7648 7.5038 7.5038 7.5185 7.5185 8.4284 8.4284 8.5397 8.5397 8.6719 8.6719 8.9687 8.9687 11.7207 11.7207 13.5087 13.5087 19.8540 19.8540 20.3677 20.3677 k = 0.4831-0.2789 0.3944 ( 1298 PWs) bands (ev): 2.1456 2.1456 4.0446 4.0446 4.7595 4.7595 7.5138 7.5138 7.5277 7.5277 8.4121 8.4121 8.5233 8.5233 8.6637 8.6637 8.9699 8.9699 11.7207 11.7207 13.5063 13.5063 19.8581 19.8581 20.4049 20.4049 k = 0.4915-0.2838 0.4013 ( 1298 PWs) bands (ev): 2.1819 2.1819 4.0031 4.0031 4.7563 4.7563 7.5200 7.5200 7.5333 7.5333 8.4020 8.4020 8.5133 8.5133 8.6589 8.6589 8.9707 8.9707 11.7207 11.7207 13.5048 13.5048 19.8607 19.8607 20.4278 20.4278 k = 0.5000-0.2887 0.4082 ( 1298 PWs) bands (ev): 2.1944 2.1944 3.9889 3.9889 4.7552 4.7552 7.5221 7.5221 7.5352 7.5352 8.3986 8.3986 8.5099 8.5099 8.6572 8.6572 8.9709 8.9709 11.7207 11.7207 13.5043 13.5043 19.8615 19.8615 20.4356 20.4356 k = 0.5000-0.2887 0.4082 ( 1298 PWs) bands (ev): 2.1944 2.1944 3.9889 3.9889 4.7552 4.7552 7.5221 7.5221 7.5352 7.5352 8.3986 8.3986 8.5099 8.5099 8.6572 8.6572 8.9709 8.9709 11.7207 11.7207 13.5043 13.5043 19.8615 19.8615 20.4356 20.4356 k = 0.5000-0.2791 0.4151 ( 1298 PWs) bands (ev): 2.1955 2.1955 3.9902 3.9902 4.7515 4.7515 7.5166 7.5166 7.5344 7.5344 8.3995 8.3995 8.5099 8.5099 8.6625 8.6625 8.9720 8.9720 11.7236 11.7236 13.5087 13.5087 19.8078 19.8078 20.4529 20.4529 k = 0.5000-0.2694 0.4219 ( 1298 PWs) bands (ev): 2.1987 2.1987 3.9941 3.9941 4.7406 4.7406 7.4920 7.4920 7.5407 7.5407 8.4019 8.4019 8.5100 8.5100 8.6776 8.6776 8.9752 8.9752 11.7323 11.7323 13.5219 13.5219 19.6797 19.6797 20.4631 20.4631 k = 0.5000-0.2598 0.4287 ( 1298 PWs) bands (ev): 2.2042 2.2042 4.0005 4.0005 4.7226 4.7226 7.4503 7.4503 7.5537 7.5537 8.4049 8.4049 8.5100 8.5100 8.7010 8.7010 8.9811 8.9811 11.7468 11.7468 13.5438 13.5438 19.5179 19.5179 20.4667 20.4667 k = 0.5000-0.2502 0.4355 ( 1302 PWs) bands (ev): 2.2118 2.2118 4.0095 4.0095 4.6979 4.6979 7.3954 7.3954 7.5719 7.5719 8.4079 8.4079 8.5100 8.5100 8.7300 8.7300 8.9902 8.9902 11.7672 11.7672 13.5745 13.5745 19.3402 19.3402 20.4694 20.4694 k = 0.5000-0.2406 0.4423 ( 1306 PWs) bands (ev): 2.2216 2.2216 4.0211 4.0211 4.6668 4.6668 7.3301 7.3301 7.5947 7.5947 8.4105 8.4105 8.5098 8.5098 8.7613 8.7613 9.0040 9.0040 11.7934 11.7934 13.6140 13.6140 19.1538 19.1538 20.4722 20.4722 k = 0.5000-0.2309 0.4491 ( 1308 PWs) bands (ev): 2.2336 2.2336 4.0353 4.0353 4.6299 4.6299 7.2567 7.2567 7.6215 7.6215 8.4126 8.4126 8.5097 8.5097 8.7915 8.7915 9.0236 9.0236 11.8255 11.8255 13.6621 13.6621 18.9620 18.9620 20.4752 20.4752 k = 0.5000-0.2213 0.4559 ( 1308 PWs) bands (ev): 2.2478 2.2478 4.0520 4.0520 4.5877 4.5877 7.1772 7.1772 7.6516 7.6516 8.4142 8.4142 8.5096 8.5096 8.8178 8.8178 9.0500 9.0500 11.8636 11.8636 13.7189 13.7189 18.7665 18.7665 20.4787 20.4787 k = 0.5000-0.2117 0.4627 ( 1304 PWs) bands (ev): 2.2641 2.2641 4.0713 4.0713 4.5408 4.5408 7.0930 7.0930 7.6845 7.6845 8.4153 8.4153 8.5095 8.5095 8.8387 8.8387 9.0830 9.0830 11.9078 11.9078 13.7843 13.7843 18.5684 18.5684 20.4827 20.4827 k = 0.5000-0.2021 0.4695 ( 1304 PWs) bands (ev): 2.2825 2.2825 4.0931 4.0931 4.4897 4.4897 7.0053 7.0053 7.7196 7.7196 8.4161 8.4161 8.5093 8.5093 8.8546 8.8546 9.1214 9.1214 11.9580 11.9580 13.8581 13.8581 18.3685 18.3685 20.4870 20.4870 k = 0.5000-0.1925 0.4763 ( 1304 PWs) bands (ev): 2.3031 2.3031 4.1174 4.1174 4.4348 4.4348 6.9152 6.9152 7.7562 7.7562 8.4164 8.4164 8.5090 8.5090 8.8661 8.8661 9.1632 9.1632 12.0142 12.0142 13.9403 13.9403 18.1673 18.1673 20.4918 20.4918 k = 0.5000-0.1828 0.4831 ( 1298 PWs) bands (ev): 2.3259 2.3259 4.1442 4.1442 4.3769 4.3769 6.8232 6.8232 7.7940 7.7940 8.4166 8.4166 8.5088 8.5088 8.8746 8.8746 9.2067 9.2067 12.0766 12.0766 14.0308 14.0308 17.9654 17.9654 20.4969 20.4969 k = 0.5000-0.1732 0.4899 ( 1298 PWs) bands (ev): 2.3507 2.3507 4.1736 4.1736 4.3163 4.3163 6.7301 6.7301 7.8322 7.8322 8.4163 8.4163 8.5085 8.5085 8.8810 8.8810 9.2503 9.2503 12.1451 12.1451 14.1293 14.1293 17.7630 17.7630 20.5024 20.5024 k = 0.5000-0.1636 0.4967 ( 1298 PWs) bands (ev): 2.3776 2.3776 4.2053 4.2053 4.2535 4.2535 6.6363 6.6363 7.8705 7.8705 8.4158 8.4158 8.5080 8.5080 8.8859 8.8859 9.2930 9.2930 12.2198 12.2198 14.2358 14.2358 17.5607 17.5607 20.5082 20.5082 k = 0.5000-0.1540 0.5035 ( 1298 PWs) bands (ev): 2.4067 2.4067 4.1888 4.1888 4.2397 4.2397 6.5422 6.5422 7.9085 7.9085 8.4150 8.4150 8.5076 8.5076 8.8897 8.8897 9.3342 9.3342 12.3006 12.3006 14.3499 14.3499 17.3586 17.3586 20.5141 20.5141 k = 0.5000-0.1443 0.5103 ( 1298 PWs) bands (ev): 2.4377 2.4377 4.1228 4.1228 4.2764 4.2764 6.4482 6.4482 7.9458 7.9458 8.4139 8.4139 8.5070 8.5070 8.8928 8.8928 9.3734 9.3734 12.3875 12.3875 14.4714 14.4714 17.1570 17.1570 20.5157 20.5157 k = 0.5000-0.1347 0.5171 ( 1298 PWs) bands (ev): 2.4709 2.4709 4.0557 4.0557 4.3154 4.3154 6.3546 6.3546 7.9821 7.9821 8.4124 8.4124 8.5064 8.5064 8.8954 8.8954 9.4103 9.4103 12.4805 12.4805 14.6002 14.6002 16.9563 16.9563 20.2948 20.2948 k = 0.5000-0.1251 0.5239 ( 1298 PWs) bands (ev): 2.5061 2.5061 3.9879 3.9879 4.3568 4.3568 6.2616 6.2616 8.0172 8.0172 8.4107 8.4107 8.5057 8.5057 8.8975 8.8975 9.4447 9.4447 12.5794 12.5794 14.7359 14.7359 16.7566 16.7566 20.0548 20.0548 k = 0.5000-0.1155 0.5307 ( 1300 PWs) bands (ev): 2.5432 2.5432 3.9196 3.9196 4.4005 4.4005 6.1695 6.1695 8.0509 8.0509 8.4085 8.4085 8.5050 8.5050 8.8992 8.8992 9.4764 9.4764 12.6842 12.6842 14.8783 14.8783 16.5583 16.5583 19.8155 19.8155 k = 0.5000-0.1058 0.5375 ( 1304 PWs) bands (ev): 2.5824 2.5824 3.8510 3.8510 4.4465 4.4465 6.0785 6.0785 8.0829 8.0829 8.4059 8.4059 8.5041 8.5041 8.9007 8.9007 9.5054 9.5054 12.7948 12.7948 15.0270 15.0270 16.3614 16.3614 19.5773 19.5773 k = 0.5000-0.0962 0.5443 ( 1300 PWs) bands (ev): 2.6235 2.6235 3.7825 3.7825 4.4946 4.4946 5.9889 5.9889 8.1134 8.1134 8.4029 8.4029 8.5034 8.5034 8.9021 8.9021 9.5318 9.5318 12.9111 12.9111 15.1818 15.1818 16.1662 16.1662 19.3408 19.3408 k = 0.5000-0.0866 0.5511 ( 1298 PWs) bands (ev): 2.6665 2.6665 3.7142 3.7142 4.5448 4.5448 5.9009 5.9009 8.1420 8.1420 8.3994 8.3994 8.5026 8.5026 8.9033 8.9033 9.5554 9.5554 13.0329 13.0329 15.3422 15.3422 15.9731 15.9731 19.1063 19.1063 k = 0.5000-0.0770 0.5579 ( 1298 PWs) bands (ev): 2.7114 2.7114 3.6463 3.6463 4.5968 4.5968 5.8148 5.8148 8.1688 8.1688 8.3953 8.3953 8.5019 8.5019 8.9043 8.9043 9.5764 9.5764 13.1601 13.1601 15.5077 15.5077 15.7821 15.7821 18.8744 18.8744 k = 0.5000-0.0674 0.5647 ( 1298 PWs) bands (ev): 2.7582 2.7582 3.5789 3.5789 4.6505 4.6505 5.7307 5.7307 8.1938 8.1938 8.3906 8.3906 8.5011 8.5011 8.9052 8.9052 9.5948 9.5948 13.2924 13.2924 15.5917 15.5917 15.6799 15.6799 18.6456 18.6456 k = 0.5000-0.0577 0.5715 ( 1302 PWs) bands (ev): 2.8068 2.8068 3.5123 3.5123 4.7055 4.7055 5.6493 5.6493 8.2168 8.2168 8.3851 8.3851 8.5003 8.5003 8.9058 8.9058 9.6105 9.6105 13.4299 13.4299 15.4063 15.4063 15.8536 15.8536 18.4204 18.4204 k = 0.5000-0.0481 0.5784 ( 1298 PWs) bands (ev): 2.8572 2.8572 3.4465 3.4465 4.7613 4.7613 5.5710 5.5710 8.2380 8.2380 8.3790 8.3790 8.4997 8.4997 8.9064 8.9064 9.6238 9.6238 13.5721 13.5721 15.2227 15.2227 16.0314 16.0314 18.1997 18.1997 k = 0.5000-0.0385 0.5852 ( 1294 PWs) bands (ev): 2.9093 2.9093 3.3817 3.3817 4.8170 4.8170 5.4969 5.4969 8.2572 8.2572 8.3723 8.3723 8.4992 8.4992 8.9070 8.9070 9.6346 9.6346 13.7191 13.7191 15.0419 15.0419 16.2111 16.2111 17.9851 17.9851 k = 0.5000-0.0289 0.5920 ( 1302 PWs) bands (ev): 2.9630 2.9630 3.3180 3.3180 4.8708 4.8708 5.4287 5.4287 8.2742 8.2742 8.3647 8.3647 8.4986 8.4986 8.9073 8.9073 9.6429 9.6429 13.8706 13.8706 14.8641 14.8641 16.3895 16.3895 17.7796 17.7796 k = 0.5000-0.0192 0.5988 ( 1306 PWs) bands (ev): 3.0183 3.0183 3.2555 3.2555 4.9192 4.9192 5.3699 5.3699 8.2886 8.2886 8.3571 8.3571 8.4982 8.4982 8.9076 8.9076 9.6488 9.6488 14.0263 14.0263 14.6895 14.6895 16.5598 16.5598 17.5899 17.5899 k = 0.5000-0.0096 0.6056 ( 1316 PWs) bands (ev): 3.0750 3.0750 3.1944 3.1944 4.9556 4.9556 5.3273 5.3273 8.2991 8.2991 8.3505 8.3505 8.4980 8.4980 8.9074 8.9074 9.6523 9.6523 14.1860 14.1860 14.5185 14.5185 16.7026 16.7026 17.4354 17.4354 k = 0.5000-0.0000 0.6124 ( 1316 PWs) bands (ev): 3.1263 3.1263 3.1417 3.1417 4.9698 4.9698 5.3111 5.3111 8.3034 8.3034 8.3476 8.3476 8.4979 8.4979 8.9074 8.9074 9.6535 9.6535 14.3385 14.3385 14.3623 14.3623 16.7662 16.7662 17.3680 17.3680 k = 0.5000-0.0000 0.6124 ( 1316 PWs) bands (ev): 3.1263 3.1263 3.1417 3.1417 4.9698 4.9698 5.3111 5.3111 8.3034 8.3034 8.3476 8.3476 8.4979 8.4979 8.9074 8.9074 9.6535 9.6535 14.3385 14.3385 14.3623 14.3623 16.7662 16.7662 17.3680 17.3680 k = 0.4940 0.0103 0.6124 ( 1316 PWs) bands (ev): 3.0919 3.0919 3.1725 3.1725 4.9657 4.9657 5.3223 5.3223 8.2997 8.2997 8.3482 8.3482 8.4998 8.4998 8.9081 8.9081 9.6532 9.6532 14.2294 14.2294 14.4708 14.4708 16.7362 16.7362 17.4049 17.4049 k = 0.4881 0.0206 0.6124 ( 1314 PWs) bands (ev): 3.0527 3.0527 3.2012 3.2012 4.9524 4.9524 5.3564 5.3564 8.2907 8.2907 8.3482 8.3482 8.5053 8.5053 8.9104 8.9104 9.6522 9.6522 14.1056 14.1056 14.5930 14.5930 16.6643 16.6643 17.4978 17.4978 k = 0.4821 0.0309 0.6124 ( 1302 PWs) bands (ev): 3.0152 3.0152 3.2222 3.2222 4.9313 4.9313 5.4111 5.4111 8.2780 8.2780 8.3464 8.3464 8.5137 8.5137 8.9145 8.9145 9.6503 9.6503 13.9785 13.9785 14.7181 14.7181 16.5757 16.5757 17.6211 17.6211 k = 0.4762 0.0412 0.6124 ( 1298 PWs) bands (ev): 2.9794 2.9794 3.2362 3.2362 4.9052 4.9052 5.4824 5.4824 8.2623 8.2623 8.3426 8.3426 8.5241 8.5241 8.9200 8.9200 9.6476 9.6476 13.8490 13.8490 14.8457 14.8457 16.4839 16.4839 17.7610 17.7610 k = 0.4702 0.0515 0.6124 ( 1296 PWs) bands (ev): 2.9456 2.9456 3.2443 3.2443 4.8767 4.8767 5.5665 5.5665 8.2438 8.2438 8.3374 8.3374 8.5357 8.5357 8.9272 8.9272 9.6437 9.6437 13.7180 13.7180 14.9758 14.9758 16.3948 16.3948 17.9110 17.9110 k = 0.4643 0.0619 0.6124 ( 1296 PWs) bands (ev): 2.9138 2.9138 3.2476 3.2476 4.8474 4.8474 5.6605 5.6605 8.2226 8.2226 8.3313 8.3313 8.5477 8.5477 8.9361 8.9361 9.6385 9.6385 13.5865 13.5865 15.1080 15.1080 16.3111 16.3111 18.0682 18.0682 k = 0.4583 0.0722 0.6124 ( 1290 PWs) bands (ev): 2.8838 2.8838 3.2470 3.2470 4.8183 4.8183 5.7620 5.7620 8.1985 8.1985 8.3248 8.3248 8.5598 8.5598 8.9468 8.9468 9.6322 9.6322 13.4555 13.4555 15.2422 15.2422 16.2338 16.2338 18.2309 18.2309 k = 0.4524 0.0825 0.6124 ( 1294 PWs) bands (ev): 2.8559 2.8559 3.2435 3.2435 4.7902 4.7902 5.8692 5.8692 8.1714 8.1714 8.3182 8.3182 8.5715 8.5715 8.9590 8.9590 9.6242 9.6242 13.3263 13.3263 15.3782 15.3782 16.1631 16.1631 18.3982 18.3982 k = 0.4464 0.0928 0.6124 ( 1290 PWs) bands (ev): 2.8300 2.8300 3.2379 3.2379 4.7635 4.7635 5.9803 5.9803 8.1411 8.1411 8.3120 8.3120 8.5828 8.5828 8.9729 8.9729 9.6149 9.6149 13.2001 13.2001 15.5155 15.5155 16.0991 16.0991 18.5696 18.5696 k = 0.4405 0.1031 0.6124 ( 1294 PWs) bands (ev): 2.8061 2.8061 3.2308 3.2308 4.7384 4.7384 6.0941 6.0941 8.1076 8.1076 8.3059 8.3059 8.5934 8.5934 8.9883 8.9883 9.6039 9.6039 13.0780 13.0780 15.6538 15.6538 16.0416 16.0416 18.7445 18.7445 k = 0.4345 0.1134 0.6124 ( 1294 PWs) bands (ev): 2.7842 2.7842 3.2228 3.2228 4.7151 4.7151 6.2093 6.2093 8.0708 8.0708 8.3004 8.3004 8.6033 8.6033 9.0052 9.0052 9.5914 9.5914 12.9613 12.9613 15.7925 15.7925 15.9904 15.9904 18.9227 18.9227 k = 0.4286 0.1237 0.6124 ( 1294 PWs) bands (ev): 2.7643 2.7643 3.2143 3.2143 4.6939 4.6939 6.3247 6.3247 8.0306 8.0306 8.2954 8.2954 8.6123 8.6123 9.0234 9.0234 9.5772 9.5772 12.8511 12.8511 15.9279 15.9279 15.9480 15.9480 19.1038 19.1038 k = 0.4226 0.1340 0.6124 ( 1294 PWs) bands (ev): 2.7466 2.7466 3.2059 3.2059 4.6747 4.6747 6.4391 6.4391 7.9871 7.9871 8.2908 8.2908 8.6205 8.6205 9.0427 9.0427 9.5615 9.5615 12.7488 12.7488 15.9044 15.9044 16.0690 16.0690 19.2863 19.2863 k = 0.4167 0.1443 0.6124 ( 1304 PWs) bands (ev): 2.7308 2.7308 3.1978 3.1978 4.6576 4.6576 6.5513 6.5513 7.9404 7.9404 8.2866 8.2866 8.6277 8.6277 9.0627 9.0627 9.5445 9.5445 12.6555 12.6555 15.8701 15.8701 16.2036 16.2036 19.2016 19.2016 k = 0.4107 0.1546 0.6124 ( 1296 PWs) bands (ev): 2.7172 2.7172 3.1904 3.1904 4.6427 4.6427 6.6600 6.6600 7.8910 7.8910 8.2832 8.2832 8.6343 8.6343 9.0834 9.0834 9.5267 9.5267 12.5721 12.5721 15.8408 15.8408 16.3342 16.3342 19.0567 19.0567 k = 0.4048 0.1650 0.6124 ( 1300 PWs) bands (ev): 2.7057 2.7057 3.1837 3.1837 4.6301 4.6301 6.7635 6.7635 7.8393 7.8393 8.2803 8.2803 8.6397 8.6397 9.1039 9.1039 9.5083 9.5083 12.4997 12.4997 15.8163 15.8163 16.4580 16.4580 18.9195 18.9195 k = 0.3988 0.1753 0.6124 ( 1297 PWs) bands (ev): 2.6962 2.6962 3.1780 3.1780 4.6197 4.6197 6.8597 6.8597 7.7869 7.7869 8.2779 8.2779 8.6442 8.6442 9.1236 9.1236 9.4903 9.4903 12.4393 12.4393 15.7965 15.7965 16.5716 16.5716 18.7943 18.7943 k = 0.3929 0.1856 0.6124 ( 1297 PWs) bands (ev): 2.6888 2.6888 3.1735 3.1735 4.6117 4.6117 6.9454 6.9454 7.7361 7.7361 8.2760 8.2760 8.6476 8.6476 9.1414 9.1414 9.4738 9.4738 12.3914 12.3914 15.7812 15.7812 16.6704 16.6704 18.6860 18.6860 k = 0.3869 0.1959 0.6124 ( 1297 PWs) bands (ev): 2.6836 2.6836 3.1702 3.1702 4.6059 4.6059 7.0157 7.0157 7.6911 7.6911 8.2747 8.2747 8.6501 8.6501 9.1560 9.1560 9.4600 9.4600 12.3568 12.3568 15.7704 15.7704 16.7485 16.7485 18.6011 18.6011 k = 0.3810 0.2062 0.6124 ( 1296 PWs) bands (ev): 2.6804 2.6804 3.1682 3.1682 4.6024 4.6024 7.0637 7.0637 7.6586 7.6586 8.2739 8.2739 8.6516 8.6516 9.1657 9.1657 9.4508 9.4508 12.3359 12.3359 15.7639 15.7639 16.7991 16.7991 18.5462 18.5462 k = 0.3750 0.2165 0.6124 ( 1296 PWs) bands (ev): 2.6794 2.6794 3.1675 3.1675 4.6012 4.6012 7.0810 7.0810 7.6464 7.6464 8.2737 8.2737 8.6521 8.6521 9.1692 9.1692 9.4476 9.4476 12.3289 12.3289 15.7618 15.7618 16.8167 16.8167 18.5272 18.5272 k = 0.3750 0.2165 0.6124 ( 1296 PWs) bands (ev): 2.6794 2.6794 3.1675 3.1675 4.6012 4.6012 7.0810 7.0810 7.6464 7.6464 8.2737 8.2737 8.6521 8.6521 9.1692 9.1692 9.4476 9.4476 12.3289 12.3289 15.7618 15.7618 16.8167 16.8167 18.5272 18.5272 k = 0.3690 0.2130 0.6025 ( 1296 PWs) bands (ev): 2.7266 2.7266 3.0390 3.0390 4.6572 4.6572 7.1003 7.1003 7.6573 7.6573 8.2551 8.2551 8.6705 8.6705 9.1704 9.1704 9.4955 9.4955 12.3593 12.3593 15.9778 15.9778 16.6919 16.6919 18.3889 18.3889 k = 0.3629 0.2095 0.5926 ( 1298 PWs) bands (ev): 2.7759 2.7759 2.9093 2.9093 4.7154 4.7154 7.1233 7.1233 7.6685 7.6685 8.2356 8.2356 8.6900 8.6900 9.1694 9.1694 9.5459 9.5459 12.3897 12.3897 16.2002 16.2002 16.5705 16.5705 18.2499 18.2499 k = 0.3569 0.2060 0.5827 ( 1298 PWs) bands (ev): 2.7772 2.7772 2.8285 2.8285 4.7757 4.7757 7.1498 7.1498 7.6802 7.6802 8.2153 8.2153 8.7105 8.7105 9.1664 9.1664 9.5988 9.5988 12.4202 12.4202 16.4275 16.4275 16.4532 16.4532 18.1104 18.1104 k = 0.3508 0.2025 0.5729 ( 1298 PWs) bands (ev): 2.6464 2.6464 2.8814 2.8814 4.8381 4.8381 7.1797 7.1797 7.6923 7.6923 8.1940 8.1940 8.7320 8.7320 9.1615 9.1615 9.6541 9.6541 12.4511 12.4511 16.3373 16.3373 16.6618 16.6618 17.9708 17.9708 k = 0.3448 0.1990 0.5630 ( 1298 PWs) bands (ev): 2.5147 2.5147 2.9368 2.9368 4.9024 4.9024 7.2127 7.2127 7.7048 7.7048 8.1719 8.1719 8.7546 8.7546 9.1551 9.1551 9.7119 9.7119 12.4825 12.4825 16.2257 16.2257 16.8997 16.8997 17.8310 17.8310 k = 0.3387 0.1956 0.5531 ( 1304 PWs) bands (ev): 2.3830 2.3830 2.9942 2.9942 4.9684 4.9684 7.2488 7.2488 7.7176 7.7176 8.1489 8.1489 8.7779 8.7779 9.1472 9.1472 9.7722 9.7722 12.5145 12.5145 16.1174 16.1174 17.1417 17.1417 17.6912 17.6912 k = 0.3327 0.1921 0.5432 ( 1300 PWs) bands (ev): 2.2515 2.2515 3.0537 3.0537 5.0361 5.0361 7.2878 7.2878 7.7309 7.7309 8.1252 8.1252 8.8023 8.8023 9.1383 9.1383 9.8350 9.8350 12.5473 12.5473 16.0123 16.0123 17.3871 17.3871 17.5517 17.5517 k = 0.3266 0.1886 0.5334 ( 1310 PWs) bands (ev): 2.1205 2.1205 3.1150 3.1150 5.1052 5.1052 7.3295 7.3295 7.7445 7.7445 8.1007 8.1007 8.8271 8.8271 9.1284 9.1284 9.9001 9.9001 12.5812 12.5812 15.9105 15.9105 17.4126 17.4126 17.6352 17.6352 k = 0.3206 0.1851 0.5235 ( 1310 PWs) bands (ev): 1.9902 1.9902 3.1782 3.1782 5.1757 5.1757 7.3741 7.3741 7.7586 7.7586 8.0755 8.0755 8.8526 8.8526 9.1181 9.1181 9.9678 9.9678 12.6162 12.6162 15.8119 15.8119 17.2739 17.2739 17.8848 17.8848 k = 0.3145 0.1816 0.5136 ( 1310 PWs) bands (ev): 1.8608 1.8608 3.2433 3.2433 5.2472 5.2472 7.4213 7.4213 7.7731 7.7731 8.0497 8.0497 8.8780 8.8780 9.1081 9.1081 10.0379 10.0379 12.6524 12.6524 15.7164 15.7164 17.1357 17.1357 18.1346 18.1346 k = 0.3085 0.1781 0.5037 ( 1310 PWs) bands (ev): 1.7324 1.7324 3.3101 3.3101 5.3198 5.3198 7.4710 7.4710 7.7880 7.7880 8.0234 8.0234 8.9025 8.9025 9.0994 9.0994 10.1104 10.1104 12.6901 12.6901 15.6241 15.6241 16.9982 16.9982 18.3815 18.3815 k = 0.3024 0.1746 0.4938 ( 1310 PWs) bands (ev): 1.6052 1.6052 3.3788 3.3788 5.3930 5.3930 7.5231 7.5231 7.8035 7.8035 7.9967 7.9967 8.9243 8.9243 9.0938 9.0938 10.1853 10.1853 12.7293 12.7293 15.5349 15.5349 16.8615 16.8615 18.6175 18.6175 k = 0.2964 0.1711 0.4840 ( 1306 PWs) bands (ev): 1.4794 1.4794 3.4492 3.4492 5.4668 5.4668 7.5773 7.5773 7.8196 7.8196 7.9697 7.9697 8.9409 8.9409 9.0942 9.0942 10.2627 10.2627 12.7702 12.7702 15.4487 15.4487 16.7256 16.7256 18.8131 18.8131 k = 0.2903 0.1676 0.4741 ( 1306 PWs) bands (ev): 1.3550 1.3550 3.5212 3.5212 5.5408 5.5408 7.6332 7.6332 7.8365 7.8365 7.9430 7.9430 8.9491 8.9491 9.1036 9.1036 10.3424 10.3424 12.8128 12.8128 15.3656 15.3656 16.5906 16.5906 18.8779 18.8780 k = 0.2843 0.1641 0.4642 ( 1308 PWs) bands (ev): 1.2323 1.2323 3.5948 3.5948 5.6148 5.6148 7.6894 7.6894 7.8546 7.8546 7.9174 7.9174 8.9482 8.9482 9.1229 9.1229 10.4246 10.4246 12.8573 12.8573 15.2855 15.2855 16.4566 16.4566 18.7472 18.7472 k = 0.2782 0.1606 0.4543 ( 1308 PWs) bands (ev): 1.1111 1.1111 3.6701 3.6701 5.6886 5.6886 7.7422 7.7422 7.8744 7.8744 7.8964 7.8964 8.9404 8.9404 9.1504 9.1504 10.5091 10.5091 12.9038 12.9038 15.2082 15.2082 16.3236 16.3236 18.6121 18.6121 k = 0.2722 0.1571 0.4445 ( 1310 PWs) bands (ev): 0.9918 0.9918 3.7468 3.7468 5.7619 5.7619 7.7796 7.7796 7.8801 7.8801 7.9077 7.9077 8.9278 8.9278 9.1836 9.1836 10.5960 10.5960 12.9524 12.9524 15.1339 15.1339 16.1917 16.1917 18.4788 18.4788 k = 0.2661 0.1536 0.4346 ( 1310 PWs) bands (ev): 0.8743 0.8743 3.8250 3.8250 5.8344 5.8344 7.7843 7.7843 7.8889 7.8889 7.9519 7.9519 8.9125 8.9125 9.2210 9.2210 10.6852 10.6852 13.0032 13.0032 15.0624 15.0624 16.0610 16.0610 18.3475 18.3475 k = 0.2601 0.1502 0.4247 ( 1308 PWs) bands (ev): 0.7588 0.7588 3.9046 3.9046 5.9058 5.9058 7.7660 7.7660 7.9069 7.9069 8.0132 8.0132 8.8957 8.8957 9.2616 9.2616 10.7767 10.7767 13.0562 13.0562 14.9936 14.9936 15.9315 15.9315 18.2182 18.2182 k = 0.2540 0.1467 0.4148 ( 1312 PWs) bands (ev): 0.6452 0.6452 3.9854 3.9854 5.9758 5.9758 7.7398 7.7398 7.9257 7.9257 8.0847 8.0847 8.8777 8.8777 9.3048 9.3048 10.8705 10.8705 13.1116 13.1116 14.9276 14.9276 15.8033 15.8033 18.0910 18.0910 k = 0.2480 0.1432 0.4050 ( 1312 PWs) bands (ev): 0.5338 0.5338 4.0676 4.0676 6.0441 6.0441 7.7110 7.7110 7.9445 7.9445 8.1627 8.1627 8.8593 8.8593 9.3505 9.3505 10.9665 10.9665 13.1694 13.1694 14.8642 14.8642 15.6765 15.6765 17.9659 17.9659 k = 0.2419 0.1397 0.3951 ( 1308 PWs) bands (ev): 0.4244 0.4244 4.1509 4.1509 6.1105 6.1105 7.6808 7.6808 7.9633 7.9633 8.2458 8.2458 8.8407 8.8407 9.3984 9.3984 11.0648 11.0648 13.2297 13.2297 14.8034 14.8034 15.5510 15.5510 17.8432 17.8432 k = 0.2359 0.1362 0.3852 ( 1310 PWs) bands (ev): 0.3173 0.3173 4.2353 4.2353 6.1746 6.1746 7.6500 7.6500 7.9820 7.9820 8.3332 8.3332 8.8220 8.8220 9.4485 9.4485 11.1653 11.1653 13.2925 13.2925 14.7452 14.7452 15.4269 15.4269 17.7228 17.7228 k = 0.2298 0.1327 0.3753 ( 1314 PWs) bands (ev): 0.2124 0.2124 4.3207 4.3207 6.2363 6.2363 7.6188 7.6188 8.0008 8.0008 8.4246 8.4246 8.8037 8.8037 9.5007 9.5007 11.2678 11.2678 13.3580 13.3580 14.6894 14.6894 15.3044 15.3044 17.6048 17.6048 k = 0.2238 0.1292 0.3654 ( 1314 PWs) bands (ev): 0.1098 0.1098 4.4070 4.4070 6.2953 6.2953 7.5874 7.5874 8.0199 8.0199 8.5196 8.5196 8.7864 8.7864 9.5550 9.5550 11.3725 11.3725 13.4260 13.4260 14.6360 14.6360 15.1834 15.1834 17.4893 17.4893 k = 0.2177 0.1257 0.3556 ( 1314 PWs) bands (ev): 0.0095 0.0095 4.4941 4.4941 6.3514 6.3514 7.5559 7.5559 8.0391 8.0391 8.6165 8.6165 8.7719 8.7719 9.6115 9.6115 11.4793 11.4793 13.4967 13.4967 14.5850 14.5850 15.0641 15.0641 17.3765 17.3765 k = 0.2117 0.1222 0.3457 ( 1322 PWs) bands (ev): -0.0884 -0.0884 4.5819 4.5819 6.4045 6.4045 7.5244 7.5244 8.0583 8.0583 8.7010 8.7010 8.7743 8.7743 9.6699 9.6699 11.5880 11.5880 13.5701 13.5701 14.5362 14.5362 14.9464 14.9464 17.2663 17.2663 k = 0.2056 0.1187 0.3358 ( 1322 PWs) bands (ev): -0.1838 -0.1838 4.6703 4.6703 6.4544 6.4544 7.4930 7.4930 8.0778 8.0778 8.7174 8.7174 8.8498 8.8498 9.7306 9.7306 11.6986 11.6986 13.6461 13.6461 14.4896 14.4896 14.8305 14.8305 17.1589 17.1589 k = 0.1996 0.1152 0.3259 ( 1326 PWs) bands (ev): -0.2768 -0.2768 4.7593 4.7593 6.5011 6.5011 7.4618 7.4618 8.0973 8.0973 8.7059 8.7059 8.9576 8.9576 9.7936 9.7936 11.8110 11.8110 13.7248 13.7248 14.4452 14.4452 14.7165 14.7165 17.0544 17.0544 k = 0.1935 0.1117 0.3161 ( 1325 PWs) bands (ev): -0.3674 -0.3674 4.8486 4.8486 6.5444 6.5444 7.4308 7.4308 8.1170 8.1170 8.6919 8.6919 9.0731 9.0731 9.8587 9.8587 11.9252 11.9252 13.8061 13.8061 14.4028 14.4028 14.6045 14.6045 16.9530 16.9530 k = 0.1875 0.1083 0.3062 ( 1325 PWs) bands (ev): -0.4554 -0.4554 4.9382 4.9382 6.5845 6.5845 7.4001 7.4001 8.1367 8.1367 8.6778 8.6778 9.1935 9.1935 9.9261 9.9261 12.0410 12.0410 13.8898 13.8898 14.3623 14.3623 14.4948 14.4948 16.8547 16.8547 k = 0.1815 0.1048 0.2963 ( 1313 PWs) bands (ev): -0.5408 -0.5408 5.0279 5.0279 6.6213 6.6213 7.3698 7.3698 8.1567 8.1567 8.6644 8.6644 9.3182 9.3182 9.9958 9.9958 12.1583 12.1583 13.9760 13.9760 14.3228 14.3228 14.3883 14.3883 16.7598 16.7598 k = 0.1754 0.1013 0.2864 ( 1313 PWs) bands (ev): -0.6237 -0.6237 5.1176 5.1176 6.6548 6.6548 7.3400 7.3400 8.1765 8.1765 8.6515 8.6515 9.4468 9.4468 10.0677 10.0677 12.2769 12.2769 14.0640 14.0640 14.2694 14.2694 14.3005 14.3005 16.6683 16.6683 k = 0.1694 0.0978 0.2766 ( 1313 PWs) bands (ev): -0.7040 -0.7040 5.2071 5.2071 6.6851 6.6851 7.3105 7.3105 8.1963 8.1963 8.6395 8.6395 9.5792 9.5792 10.1420 10.1420 12.3967 12.3967 14.1513 14.1513 14.1729 14.1729 14.2630 14.2630 16.5806 16.5806 k = 0.1633 0.0943 0.2667 ( 1313 PWs) bands (ev): -0.7817 -0.7817 5.2963 5.2963 6.7122 6.7122 7.2817 7.2817 8.2159 8.2159 8.6284 8.6284 9.7151 9.7151 10.2185 10.2185 12.5174 12.5174 14.0727 14.0727 14.2043 14.2043 14.2701 14.2701 16.4967 16.4967 k = 0.1573 0.0908 0.2568 ( 1319 PWs) bands (ev): -0.8567 -0.8567 5.3850 5.3850 6.7364 6.7364 7.2534 7.2534 8.2354 8.2354 8.6182 8.6182 9.8544 9.8544 10.2972 10.2972 12.6388 12.6388 13.9744 13.9744 14.1846 14.1846 14.3544 14.3544 16.4171 16.4171 k = 0.1512 0.0873 0.2469 ( 1317 PWs) bands (ev): -0.9290 -0.9290 5.4732 5.4732 6.7577 6.7577 7.2258 7.2258 8.2550 8.2550 8.6088 8.6088 9.9968 9.9968 10.3784 10.3784 12.7607 12.7607 13.8787 13.8787 14.1570 14.1570 14.4504 14.4504 16.3419 16.3419 k = 0.1452 0.0838 0.2370 ( 1317 PWs) bands (ev): -0.9986 -0.9986 5.5605 5.5605 6.7764 6.7764 7.1989 7.1989 8.2742 8.2742 8.6005 8.6005 10.1423 10.1423 10.4618 10.4618 12.8826 12.8826 13.7859 13.7859 14.1299 14.1299 14.5496 14.5496 16.2716 16.2716 k = 0.1391 0.0803 0.2272 ( 1317 PWs) bands (ev): -1.0656 -1.0656 5.6467 5.6467 6.7925 6.7925 7.1727 7.1727 8.2933 8.2933 8.5931 8.5931 10.2905 10.2905 10.5475 10.5475 13.0041 13.0041 13.6963 13.6963 14.1039 14.1039 14.6506 14.6506 16.2064 16.2064 k = 0.1331 0.0768 0.2173 ( 1313 PWs) bands (ev): -1.1298 -1.1298 5.7317 5.7317 6.8063 6.8063 7.1474 7.1474 8.3121 8.3121 8.5865 8.5865 10.4410 10.4410 10.6356 10.6356 13.1247 13.1247 13.6103 13.6103 14.0794 14.0794 14.7531 14.7531 16.1470 16.1470 k = 0.1270 0.0733 0.2074 ( 1311 PWs) bands (ev): -1.1912 -1.1912 5.8154 5.8154 6.8179 6.8179 7.1228 7.1228 8.3305 8.3305 8.5807 8.5807 10.5930 10.5930 10.7267 10.7267 13.2435 13.2435 13.5283 13.5283 14.0562 14.0562 14.8564 14.8564 16.0939 16.0939 k = 0.1210 0.0698 0.1975 ( 1311 PWs) bands (ev): -1.2499 -1.2499 5.8975 5.8975 6.8275 6.8275 7.0992 7.0992 8.3486 8.3486 8.5757 8.5757 10.7434 10.7434 10.8232 10.8232 13.3577 13.3577 13.4530 13.4530 14.0343 14.0343 14.9599 14.9599 16.0477 16.0477 k = 0.1149 0.0663 0.1877 ( 1311 PWs) bands (ev): -1.3058 -1.3058 5.9777 5.9777 6.8353 6.8353 7.0765 7.0765 8.3662 8.3662 8.5714 8.5714 10.8784 10.8784 10.9387 10.9387 13.3709 13.3709 13.4803 13.4803 14.0138 14.0138 15.0629 15.0629 16.0093 16.0093 k = 0.1089 0.0629 0.1778 ( 1311 PWs) bands (ev): -1.3590 -1.3590 6.0558 6.0558 6.8414 6.8414 7.0548 7.0548 8.3833 8.3833 8.5678 8.5678 10.9850 10.9850 11.0854 11.0854 13.3047 13.3047 13.5884 13.5884 13.9946 13.9946 15.1642 15.1642 15.9794 15.9794 k = 0.1028 0.0594 0.1679 ( 1311 PWs) bands (ev): -1.4093 -1.4093 6.1317 6.1317 6.8461 6.8461 7.0341 7.0341 8.4000 8.4000 8.5647 8.5647 11.0819 11.0819 11.2441 11.2441 13.2424 13.2424 13.6934 13.6934 13.9767 13.9767 15.2619 15.2619 15.9591 15.9591 k = 0.0968 0.0559 0.1580 ( 1311 PWs) bands (ev): -1.4568 -1.4568 6.2051 6.2051 6.8495 6.8495 7.0145 7.0145 8.4160 8.4160 8.5622 8.5622 11.1763 11.1763 11.4065 11.4065 13.1866 13.1866 13.7926 13.7926 13.9601 13.9601 15.3532 15.3532 15.9493 15.9493 k = 0.0907 0.0524 0.1482 ( 1315 PWs) bands (ev): -1.5015 -1.5015 6.2757 6.2757 6.8517 6.8517 6.9960 6.9960 8.4314 8.4314 8.5601 8.5601 11.2688 11.2688 11.5712 11.5712 13.1383 13.1383 13.8842 13.8842 13.9450 13.9450 15.4333 15.4333 15.9511 15.9511 k = 0.0847 0.0489 0.1383 ( 1311 PWs) bands (ev): -1.5433 -1.5433 6.3433 6.3433 6.8529 6.8529 6.9787 6.9787 8.4462 8.4462 8.5584 8.5584 11.3587 11.3587 11.7373 11.7373 13.0989 13.0989 13.9288 13.9288 13.9699 13.9699 15.4945 15.4945 15.9654 15.9654 k = 0.0786 0.0454 0.1284 ( 1311 PWs) bands (ev): -1.5823 -1.5823 6.4077 6.4077 6.8533 6.8533 6.9626 6.9626 8.4602 8.4602 8.5571 8.5571 11.4449 11.4449 11.9044 11.9044 13.0699 13.0699 13.9163 13.9163 14.0438 14.0438 15.5262 15.5262 15.9928 15.9928 k = 0.0726 0.0419 0.1185 ( 1307 PWs) bands (ev): -1.6185 -1.6185 6.4685 6.4685 6.8530 6.8530 6.9479 6.9479 8.4735 8.4735 8.5562 8.5562 11.5258 11.5258 12.0723 12.0723 13.0530 13.0530 13.9043 13.9043 14.1084 14.1084 15.5202 15.5202 16.0335 16.0335 k = 0.0665 0.0384 0.1086 ( 1307 PWs) bands (ev): -1.6517 -1.6517 6.5255 6.5255 6.8520 6.8520 6.9345 6.9345 8.4858 8.4858 8.5555 8.5555 11.5999 11.5999 12.2405 12.2405 13.0501 13.0501 13.8933 13.8933 14.1632 14.1632 15.4776 15.4776 16.0852 16.0852 k = 0.0605 0.0349 0.0988 ( 1307 PWs) bands (ev): -1.6822 -1.6822 6.5785 6.5785 6.8504 6.8504 6.9225 6.9225 8.4973 8.4973 8.5549 8.5549 11.6654 11.6654 12.4088 12.4088 13.0628 13.0628 13.8833 13.8833 14.2084 14.2084 15.4068 15.4068 15.9107 15.9107 k = 0.0544 0.0314 0.0889 ( 1307 PWs) bands (ev): -1.7097 -1.7097 6.6271 6.6271 6.8483 6.8483 6.9121 6.9121 8.5078 8.5078 8.5546 8.5546 11.7210 11.7210 12.5766 12.5766 13.0926 13.0926 13.8744 13.8744 14.2446 14.2446 15.3168 15.3168 15.7213 15.7213 k = 0.0484 0.0279 0.0790 ( 1311 PWs) bands (ev): -1.7344 -1.7344 6.6712 6.6712 6.8458 6.8458 6.9033 6.9033 8.5173 8.5173 8.5543 8.5543 11.7663 11.7663 12.7436 12.7436 13.1400 13.1400 13.8664 13.8664 14.2728 14.2728 15.2135 15.2135 15.5332 15.5332 k = 0.0423 0.0244 0.0691 ( 1311 PWs) bands (ev): -1.7561 -1.7561 6.7103 6.7103 6.8431 6.8431 6.8962 6.8962 8.5258 8.5258 8.5542 8.5542 11.8012 11.8012 12.9092 12.9092 13.2049 13.2049 13.8594 13.8594 14.2942 14.2942 15.1005 15.1005 15.3480 15.3480 k = 0.0363 0.0210 0.0593 ( 1311 PWs) bands (ev): -1.7750 -1.7750 6.7442 6.7442 6.8402 6.8402 6.8908 6.8908 8.5333 8.5333 8.5542 8.5542 11.8269 11.8269 13.0725 13.0725 13.2858 13.2858 13.8535 13.8535 14.3099 14.3099 14.9803 14.9803 15.1672 15.1672 k = 0.0302 0.0175 0.0494 ( 1315 PWs) bands (ev): -1.7910 -1.7910 6.7724 6.7724 6.8373 6.8373 6.8873 6.8873 8.5396 8.5396 8.5542 8.5542 11.8449 11.8449 13.2324 13.2324 13.3809 13.3809 13.8485 13.8485 14.3206 14.3206 14.8545 14.8545 14.9925 14.9925 k = 0.0242 0.0140 0.0395 ( 1319 PWs) bands (ev): -1.8040 -1.8040 6.7947 6.7947 6.8346 6.8346 6.8857 6.8857 8.5449 8.5449 8.5541 8.5541 11.8568 11.8568 13.3873 13.3873 13.4873 13.4873 13.8446 13.8446 14.3269 14.3269 14.7249 14.7249 14.8264 14.8264 k = 0.0181 0.0105 0.0296 ( 1311 PWs) bands (ev): -1.8142 -1.8142 6.8110 6.8110 6.8324 6.8324 6.8860 6.8860 8.5490 8.5490 8.5542 8.5542 11.8643 11.8643 13.5341 13.5341 13.6010 13.6010 13.8420 13.8420 14.3280 14.3280 14.5955 14.5955 14.6725 14.6725 k = 0.0121 0.0070 0.0198 ( 1319 PWs) bands (ev): -1.8215 -1.8215 6.8215 6.8215 6.8306 6.8306 6.8873 6.8873 8.5518 8.5518 8.5542 8.5542 11.8687 11.8687 13.6675 13.6675 13.7131 13.7131 13.8414 13.8414 14.3184 14.3184 14.4783 14.4783 14.5370 14.5370 k = 0.0060 0.0035 0.0099 ( 1309 PWs) bands (ev): -1.8258 -1.8258 6.8273 6.8273 6.8296 6.8296 6.8890 6.8890 8.5537 8.5537 8.5545 8.5545 11.8710 11.8710 13.7747 13.7747 13.7996 13.7996 13.8490 13.8490 14.2826 14.2826 14.4069 14.4069 14.4329 14.4329 k = 0.0000 0.0000 0.0000 ( 1291 PWs) bands (ev): -1.8273 -1.8273 6.8294 6.8294 6.8294 6.8294 6.8899 6.8899 8.5546 8.5546 8.5546 8.5546 11.8717 11.8717 13.8211 13.8211 13.8211 13.8211 13.8678 13.8678 14.2521 14.2521 14.3902 14.3902 14.3902 14.3902 k = 0.0000 0.0000 0.0000 ( 1291 PWs) bands (ev): -1.8273 -1.8273 6.8294 6.8294 6.8294 6.8294 6.8899 6.8899 8.5546 8.5546 8.5546 8.5546 11.8717 11.8717 13.8211 13.8211 13.8211 13.8211 13.8678 13.8678 14.2521 14.2521 14.3902 14.3902 14.3902 14.3902 k = 0.0098 0.0057 0.0040 ( 1309 PWs) bands (ev): -1.8258 -1.8258 6.8273 6.8273 6.8296 6.8296 6.8890 6.8890 8.5541 8.5541 8.5541 8.5541 11.8710 11.8710 13.7725 13.7725 13.8073 13.8073 13.8442 13.8442 14.2838 14.2838 14.4045 14.4045 14.4334 14.4334 k = 0.0196 0.0113 0.0080 ( 1321 PWs) bands (ev): -1.8216 -1.8216 6.8213 6.8213 6.8308 6.8308 6.8874 6.8874 8.5529 8.5529 8.5532 8.5532 11.8687 11.8687 13.6548 13.6548 13.7694 13.7694 13.7948 13.7948 14.3463 14.3463 14.4438 14.4438 14.5465 14.5465 k = 0.0294 0.0170 0.0120 ( 1315 PWs) bands (ev): -1.8144 -1.8144 6.8103 6.8103 6.8330 6.8330 6.8863 6.8863 8.5512 8.5512 8.5520 8.5520 11.8639 11.8639 13.5137 13.5137 13.7149 13.7149 13.7307 13.7307 14.4185 14.4185 14.5007 14.5007 14.6945 14.6945 k = 0.0392 0.0226 0.0160 ( 1309 PWs) bands (ev): -1.8044 -1.8044 6.7930 6.7930 6.8362 6.8362 6.8865 6.8865 8.5490 8.5490 8.5504 8.5504 11.8553 11.8553 13.3686 13.3686 13.6500 13.6500 13.6583 13.6583 14.4965 14.4965 14.5684 14.5684 14.8563 14.8563 k = 0.0490 0.0283 0.0200 ( 1315 PWs) bands (ev): -1.7915 -1.7915 6.7692 6.7692 6.8401 6.8401 6.8883 6.8883 8.5460 8.5460 8.5481 8.5481 11.8407 11.8407 13.2283 13.2283 13.5790 13.5790 13.5814 13.5814 14.5775 14.5775 14.6421 14.6421 15.0234 15.0234 k = 0.0588 0.0340 0.0240 ( 1315 PWs) bands (ev): -1.7758 -1.7758 6.7390 6.7390 6.8449 6.8449 6.8919 6.8919 8.5424 8.5424 8.5455 8.5455 11.8171 11.8171 13.0985 13.0985 13.5022 13.5022 13.5045 13.5045 14.6596 14.6596 14.7186 14.7186 15.1920 15.1920 k = 0.0686 0.0396 0.0280 ( 1309 PWs) bands (ev): -1.7572 -1.7572 6.7028 6.7028 6.8506 6.8506 6.8969 6.8969 8.5384 8.5384 8.5426 8.5426 11.7811 11.7811 12.9840 12.9840 13.4218 13.4218 13.4279 13.4279 14.7410 14.7410 14.7953 14.7953 15.3598 15.3598 k = 0.0784 0.0453 0.0320 ( 1309 PWs) bands (ev): -1.7357 -1.7357 6.6607 6.6607 6.8571 6.8571 6.9032 6.9032 8.5338 8.5338 8.5393 8.5393 11.7292 11.7292 12.8892 12.8892 13.3408 13.3408 13.3500 13.3500 14.8198 14.8198 14.8700 14.8700 15.5252 15.5252 k = 0.0882 0.0509 0.0360 ( 1309 PWs) bands (ev): -1.7114 -1.7114 6.6131 6.6131 6.8643 6.8643 6.9106 6.9106 8.5287 8.5287 8.5356 8.5356 11.6592 11.6592 12.8170 12.8170 13.2596 13.2596 13.2715 13.2715 14.8940 14.8940 14.9402 14.9402 15.6863 15.6863 k = 0.0980 0.0566 0.0400 ( 1309 PWs) bands (ev): -1.6843 -1.6843 6.5601 6.5601 6.8723 6.8723 6.9190 6.9190 8.5233 8.5233 8.5318 8.5318 11.5707 11.5707 12.7679 12.7679 13.1783 13.1783 13.1927 13.1927 14.9610 14.9610 15.0030 15.0030 15.8405 15.8405 k = 0.1078 0.0623 0.0440 ( 1309 PWs) bands (ev): -1.6544 -1.6544 6.5018 6.5018 6.8810 6.8810 6.9283 6.9283 8.5175 8.5175 8.5277 8.5277 11.4657 11.4657 12.7401 12.7401 13.0972 13.0972 13.1137 13.1137 15.0181 15.0181 15.0555 15.0555 15.9826 15.9826 k = 0.1176 0.0679 0.0480 ( 1309 PWs) bands (ev): -1.6216 -1.6216 6.4385 6.4385 6.8904 6.8904 6.9386 6.9386 8.5114 8.5114 8.5235 8.5235 11.3476 11.3476 12.7305 12.7305 13.0163 13.0163 13.0348 13.0348 15.0621 15.0621 15.0942 15.0942 16.1019 16.1019 k = 0.1275 0.0736 0.0520 ( 1309 PWs) bands (ev): -1.5860 -1.5860 6.3703 6.3703 6.9004 6.9004 6.9496 6.9496 8.5051 8.5051 8.5193 8.5193 11.2203 11.2203 12.7354 12.7354 12.9356 12.9356 12.9559 12.9559 15.0903 15.0903 15.1165 15.1165 16.1796 16.1796 k = 0.1373 0.0792 0.0560 ( 1315 PWs) bands (ev): -1.5476 -1.5476 6.2972 6.2972 6.9110 6.9110 6.9614 6.9614 8.4987 8.4987 8.5150 8.5150 11.0869 11.0869 12.7510 12.7510 12.8556 12.8556 12.8772 12.8772 15.1013 15.1013 15.1213 15.1213 16.2038 16.2038 k = 0.1471 0.0849 0.0600 ( 1315 PWs) bands (ev): -1.5063 -1.5063 6.2196 6.2196 6.9222 6.9222 6.9738 6.9738 8.4923 8.4923 8.5110 8.5110 10.9502 10.9502 12.7634 12.7634 12.7877 12.7877 12.7986 12.7986 15.0954 15.0954 15.1092 15.1092 16.1875 16.1875 k = 0.1569 0.0906 0.0640 ( 1315 PWs) bands (ev): -1.4623 -1.4623 6.1374 6.1374 6.9339 6.9339 6.9870 6.9870 8.4859 8.4859 8.5071 8.5071 10.8122 10.8122 12.6921 12.6921 12.7201 12.7201 12.8102 12.8102 15.0746 15.0746 15.0825 15.0825 16.1497 16.1497 k = 0.1667 0.0962 0.0680 ( 1315 PWs) bands (ev): -1.4155 -1.4155 6.0508 6.0508 6.9461 6.9461 7.0006 7.0006 8.4797 8.4797 8.5035 8.5035 10.6744 10.6744 12.6125 12.6125 12.6418 12.6418 12.8462 12.8462 15.0419 15.0419 15.0441 15.0441 16.1011 16.1011 k = 0.1765 0.1019 0.0720 ( 1315 PWs) bands (ev): -1.3660 -1.3660 5.9600 5.9600 6.9586 6.9586 7.0148 7.0148 8.4737 8.4737 8.5003 8.5003 10.5381 10.5381 12.5326 12.5326 12.5636 12.5636 12.8864 12.8864 14.9974 14.9974 15.0002 15.0002 16.0468 16.0468 k = 0.1863 0.1075 0.0760 ( 1321 PWs) bands (ev): -1.3137 -1.3137 5.8650 5.8650 6.9713 6.9713 7.0294 7.0294 8.4680 8.4680 8.4974 8.4974 10.4041 10.4041 12.4527 12.4527 12.4855 12.4855 12.9296 12.9296 14.9448 14.9448 14.9523 14.9523 15.9891 15.9891 k = 0.1961 0.1132 0.0800 ( 1324 PWs) bands (ev): -1.2586 -1.2586 5.7660 5.7660 6.9844 6.9844 7.0443 7.0443 8.4628 8.4628 8.4952 8.4952 10.2730 10.2730 12.3730 12.3730 12.4077 12.4077 12.9749 12.9749 14.8886 14.8886 14.9005 14.9005 15.9296 15.9296 k = 0.2059 0.1189 0.0841 ( 1324 PWs) bands (ev): -1.2009 -1.2009 5.6632 5.6632 6.9977 6.9977 7.0596 7.0596 8.4582 8.4582 8.4937 8.4937 10.1455 10.1455 12.2934 12.2934 12.3299 12.3299 13.0217 13.0217 14.8305 14.8305 14.8464 14.8464 15.8691 15.8691 k = 0.2157 0.1245 0.0881 ( 1323 PWs) bands (ev): -1.1404 -1.1404 5.5567 5.5567 7.0110 7.0110 7.0750 7.0750 8.4541 8.4541 8.4929 8.4929 10.0220 10.0220 12.2140 12.2140 12.2524 12.2524 13.0695 13.0695 14.7716 14.7716 14.7914 14.7914 15.8081 15.8081 k = 0.2255 0.1302 0.0921 ( 1323 PWs) bands (ev): -1.0772 -1.0772 5.4467 5.4467 7.0244 7.0244 7.0906 7.0906 8.4509 8.4509 8.4930 8.4930 9.9027 9.9027 12.1349 12.1349 12.1751 12.1751 13.1179 13.1179 14.7128 14.7128 14.7363 14.7363 15.7471 15.7471 k = 0.2353 0.1358 0.0961 ( 1323 PWs) bands (ev): -1.0114 -1.0114 5.3334 5.3334 7.0378 7.0378 7.1061 7.1061 8.4484 8.4484 8.4940 8.4940 9.7878 9.7878 12.0560 12.0560 12.0980 12.0980 13.1663 13.1663 14.6549 14.6549 14.6818 14.6818 15.6865 15.6865 k = 0.2451 0.1415 0.1001 ( 1323 PWs) bands (ev): -0.9429 -0.9429 5.2168 5.2168 7.0510 7.0510 7.1216 7.1216 8.4468 8.4468 8.4960 8.4960 9.6777 9.6777 11.9774 11.9774 12.0213 12.0213 13.2146 13.2146 14.5982 14.5982 14.6286 14.6286 15.6265 15.6265 k = 0.2549 0.1472 0.1041 ( 1320 PWs) bands (ev): -0.8717 -0.8717 5.0974 5.0974 7.0640 7.0640 7.1370 7.1370 8.4463 8.4463 8.4991 8.4991 9.5723 9.5723 11.8993 11.8993 11.9449 11.9449 13.2625 13.2625 14.5432 14.5432 14.5768 14.5768 15.5674 15.5674 k = 0.2647 0.1528 0.1081 ( 1320 PWs) bands (ev): -0.7980 -0.7980 4.9752 4.9752 7.0768 7.0768 7.1521 7.1521 8.4468 8.4468 8.5033 8.5033 9.4718 9.4718 11.8217 11.8217 11.8691 11.8691 13.3096 13.3096 14.4902 14.4902 14.5269 14.5269 15.5094 15.5094 k = 0.2745 0.1585 0.1121 ( 1323 PWs) bands (ev): -0.7216 -0.7216 4.8504 4.8504 7.0891 7.0891 7.1668 7.1668 8.4485 8.4485 8.5088 8.5088 9.3763 9.3763 11.7448 11.7448 11.7938 11.7938 13.3558 13.3558 14.4392 14.4392 14.4789 14.4789 15.4527 15.4527 k = 0.2843 0.1641 0.1161 ( 1323 PWs) bands (ev): -0.6427 -0.6427 4.7233 4.7233 7.1011 7.1011 7.1811 7.1811 8.4513 8.4513 8.5155 8.5155 9.2857 9.2857 11.6685 11.6685 11.7192 11.7192 13.4009 13.4009 14.3905 14.3905 14.4330 14.4330 15.3974 15.3974 k = 0.2941 0.1698 0.1201 ( 1314 PWs) bands (ev): -0.5613 -0.5613 4.5942 4.5942 7.1127 7.1127 7.1950 7.1950 8.4552 8.4552 8.5236 8.5236 9.2002 9.2002 11.5932 11.5932 11.6454 11.6454 13.4447 13.4447 14.3442 14.3442 14.3894 14.3894 15.3438 15.3438 k = 0.3039 0.1755 0.1241 ( 1314 PWs) bands (ev): -0.4774 -0.4774 4.4632 4.4632 7.1238 7.1238 7.2083 7.2083 8.4603 8.4603 8.5328 8.5328 9.1196 9.1196 11.5189 11.5189 11.5726 11.5726 13.4871 13.4871 14.3002 14.3002 14.3480 14.3480 15.2919 15.2919 k = 0.3137 0.1811 0.1281 ( 1314 PWs) bands (ev): -0.3911 -0.3911 4.3305 4.3305 7.1342 7.1342 7.2209 7.2209 8.4664 8.4664 8.5434 8.5434 9.0441 9.0441 11.4457 11.4457 11.5009 11.5009 13.5279 13.5279 14.2587 14.2587 14.3089 14.3089 15.2419 15.2419 k = 0.3235 0.1868 0.1321 ( 1314 PWs) bands (ev): -0.3023 -0.3023 4.1965 4.1965 7.1441 7.1441 7.2329 7.2329 8.4734 8.4734 8.5552 8.5552 8.9737 8.9737 11.3738 11.3738 11.4304 11.4304 13.5669 13.5669 14.2195 14.2195 14.2721 14.2721 15.1938 15.1938 k = 0.3333 0.1925 0.1361 ( 1308 PWs) bands (ev): -0.2111 -0.2111 4.0614 4.0614 7.1534 7.1534 7.2441 7.2441 8.4812 8.4812 8.5684 8.5684 8.9086 8.9086 11.3035 11.3035 11.3614 11.3614 13.6043 13.6043 14.1828 14.1828 14.2376 14.2376 15.1478 15.1478 k = 0.3431 0.1981 0.1401 ( 1314 PWs) bands (ev): -0.1177 -0.1177 3.9254 3.9254 7.1619 7.1619 7.2545 7.2545 8.4890 8.4890 8.5823 8.5823 8.8489 8.8489 11.2349 11.2349 11.2941 11.2941 13.6397 13.6397 14.1484 14.1484 14.2053 14.2053 15.1040 15.1040 k = 0.3529 0.2038 0.1441 ( 1314 PWs) bands (ev): -0.0219 -0.0219 3.7888 3.7888 7.1698 7.1698 7.2641 7.2641 8.4964 8.4964 8.5974 8.5974 8.7952 8.7952 11.1683 11.1683 11.2286 11.2286 13.6733 13.6733 14.1164 14.1164 14.1752 14.1752 15.0625 15.0625 k = 0.3627 0.2094 0.1481 ( 1308 PWs) bands (ev): 0.0760 0.0760 3.6518 3.6518 7.1771 7.1771 7.2729 7.2729 8.5024 8.5024 8.6135 8.6135 8.7486 8.7486 11.1038 11.1038 11.1652 11.1652 13.7048 13.7048 14.0868 14.0868 14.1473 14.1473 15.0233 15.0233 k = 0.3725 0.2151 0.1521 ( 1302 PWs) bands (ev): 0.1761 0.1761 3.5146 3.5146 7.1838 7.1838 7.2810 7.2810 8.5051 8.5051 8.6303 8.6303 8.7103 8.7103 11.0417 11.0417 11.1041 11.1041 13.7343 13.7343 14.0594 14.0594 14.1216 14.1216 14.9865 14.9865 k = 0.3824 0.2208 0.1561 ( 1299 PWs) bands (ev): 0.2782 0.2782 3.3775 3.3775 7.1898 7.1898 7.2882 7.2882 8.5021 8.5021 8.6475 8.6475 8.6824 8.6824 10.9823 10.9823 11.0457 11.0457 13.7617 13.7617 14.0342 14.0342 14.0979 14.0979 14.9521 14.9521 k = 0.3922 0.2264 0.1601 ( 1299 PWs) bands (ev): 0.3821 0.3821 3.2408 3.2408 7.1951 7.1951 7.2947 7.2947 8.4915 8.4915 8.6649 8.6649 8.6664 8.6664 10.9258 10.9258 10.9901 10.9901 13.7871 13.7871 14.0112 14.0112 14.0764 14.0764 14.9203 14.9203 k = 0.4020 0.2321 0.1641 ( 1302 PWs) bands (ev): 0.4878 0.4878 3.1048 3.1048 7.1999 7.1999 7.3004 7.3004 8.4742 8.4742 8.6612 8.6612 8.6823 8.6823 10.8726 10.8726 10.9377 10.9377 13.8102 13.8102 13.9904 13.9904 14.0568 14.0568 14.8911 14.8911 k = 0.4118 0.2377 0.1681 ( 1302 PWs) bands (ev): 0.5951 0.5951 2.9697 2.9697 7.2041 7.2041 7.3054 7.3054 8.4531 8.4531 8.6638 8.6638 8.6995 8.6995 10.8230 10.8230 10.8888 10.8888 13.8313 13.8313 13.9717 13.9717 14.0393 14.0393 14.8645 14.8645 k = 0.4216 0.2434 0.1721 ( 1305 PWs) bands (ev): 0.7036 0.7036 2.8359 2.8359 7.2077 7.2077 7.3098 7.3098 8.4308 8.4308 8.6708 8.6708 8.7160 8.7160 10.7773 10.7773 10.8438 10.8438 13.8501 13.8501 13.9551 13.9551 14.0237 14.0237 14.8406 14.8406 k = 0.4314 0.2491 0.1761 ( 1311 PWs) bands (ev): 0.8131 0.8131 2.7041 2.7041 7.2107 7.2107 7.3135 7.3135 8.4095 8.4095 8.6800 8.6800 8.7317 8.7317 10.7359 10.7359 10.8029 10.8029 13.8668 13.8668 13.9405 13.9405 14.0100 14.0100 14.8194 14.8194 k = 0.4412 0.2547 0.1801 ( 1311 PWs) bands (ev): 0.9228 0.9228 2.5747 2.5747 7.2134 7.2134 7.3166 7.3166 8.3900 8.3900 8.6899 8.6899 8.7462 8.7462 10.6991 10.6991 10.7666 10.7666 13.8812 13.8812 13.9280 13.9280 13.9982 13.9982 14.8010 14.8010 k = 0.4510 0.2604 0.1841 ( 1311 PWs) bands (ev): 1.0318 1.0318 2.4489 2.4489 7.2156 7.2156 7.3192 7.3192 8.3731 8.3731 8.6996 8.6996 8.7591 8.7591 10.6672 10.6672 10.7352 10.7352 13.8935 13.8935 13.9174 13.9174 13.9883 13.9883 14.7853 14.7853 k = 0.4608 0.2660 0.1881 ( 1311 PWs) bands (ev): 1.1385 1.1385 2.3284 2.3284 7.2173 7.2173 7.3213 7.3213 8.3589 8.3589 8.7084 8.7084 8.7703 8.7703 10.6406 10.6406 10.7089 10.7089 13.9035 13.9035 13.9088 13.9088 13.9802 13.9802 14.7725 14.7725 k = 0.4706 0.2717 0.1921 ( 1311 PWs) bands (ev): 1.2399 1.2399 2.2163 2.2163 7.2187 7.2187 7.3229 7.3229 8.3476 8.3476 8.7158 8.7158 8.7793 8.7793 10.6196 10.6196 10.6881 10.6881 13.9021 13.9021 13.9113 13.9113 13.9739 13.9739 14.7625 14.7625 k = 0.4804 0.2774 0.1961 ( 1308 PWs) bands (ev): 1.3298 1.3298 2.1186 2.1186 7.2197 7.2197 7.3240 7.3240 8.3397 8.3397 8.7214 8.7214 8.7859 8.7859 10.6044 10.6044 10.6731 10.6731 13.8973 13.8973 13.9169 13.9169 13.9694 13.9694 14.7553 14.7553 k = 0.4902 0.2830 0.2001 ( 1308 PWs) bands (ev): 1.3967 1.3967 2.0471 2.0471 7.2202 7.2202 7.3247 7.3247 8.3349 8.3349 8.7248 8.7248 8.7900 8.7900 10.5952 10.5952 10.6640 10.6640 13.8945 13.8945 13.9202 13.9202 13.9667 13.9667 14.7510 14.7510 k = 0.5000 0.2887 0.2041 ( 1308 PWs) bands (ev): 1.4225 1.4225 2.0198 2.0198 7.2204 7.2204 7.3249 7.3249 8.3333 8.3333 8.7259 8.7259 8.7913 8.7913 10.5921 10.5921 10.6610 10.6610 13.8935 13.8935 13.9214 13.9214 13.9659 13.9659 14.7496 14.7496 k = 0.5000 0.2887 0.2041 ( 1308 PWs) bands (ev): 1.4225 1.4225 2.0198 2.0198 7.2204 7.2204 7.3249 7.3249 8.3333 8.3333 8.7259 8.7259 8.7913 8.7913 10.5921 10.5921 10.6610 10.6610 13.8935 13.8935 13.9214 13.9214 13.9659 13.9659 14.7496 14.7496 k = 0.5035 0.2787 0.2098 ( 1308 PWs) bands (ev): 1.4239 1.4239 2.0208 2.0208 7.2197 7.2197 7.3241 7.3241 8.3315 8.3315 8.7252 8.7252 8.7907 8.7907 10.5868 10.5868 10.6558 10.6558 13.8060 13.8060 13.9341 13.9341 14.0534 14.0534 14.7577 14.7577 k = 0.5069 0.2686 0.2155 ( 1308 PWs) bands (ev): 1.4282 1.4282 2.0239 2.0239 7.2173 7.2173 7.3220 7.3220 8.3262 8.3262 8.7230 8.7230 8.7886 8.7886 10.5699 10.5699 10.6418 10.6418 13.7029 13.7029 13.9480 13.9480 14.1804 14.1804 14.7824 14.7824 k = 0.5104 0.2586 0.2211 ( 1310 PWs) bands (ev): 1.4352 1.4352 2.0291 2.0291 7.2127 7.2127 7.3189 7.3189 8.3171 8.3171 8.7193 8.7193 8.7853 8.7853 10.5394 10.5394 10.6223 10.6223 13.6066 13.6066 13.9701 13.9701 14.3150 14.3150 14.8247 14.8247 k = 0.5139 0.2486 0.2268 ( 1310 PWs) bands (ev): 1.4450 1.4450 2.0363 2.0363 7.2051 7.2051 7.3159 7.3159 8.3040 8.3040 8.7141 8.7141 8.7807 8.7807 10.4944 10.4944 10.5999 10.5999 13.5177 13.5177 14.0007 14.0007 14.4525 14.4525 14.8868 14.8868 k = 0.5174 0.2386 0.2325 ( 1310 PWs) bands (ev): 1.4576 1.4576 2.0456 2.0456 7.1933 7.1933 7.3136 7.3136 8.2866 8.2866 8.7077 8.7077 8.7752 8.7752 10.4369 10.4369 10.5753 10.5753 13.4357 13.4357 14.0393 14.0393 14.5878 14.5878 14.9721 14.9721 k = 0.5208 0.2285 0.2381 ( 1312 PWs) bands (ev): 1.4730 1.4730 2.0570 2.0570 7.1765 7.1765 7.3129 7.3129 8.2645 8.2645 8.7000 8.7000 8.7688 8.7688 10.3700 10.3700 10.5481 10.5481 13.3600 13.3600 14.0857 14.0857 14.7154 14.7154 15.0847 15.0847 k = 0.5243 0.2185 0.2438 ( 1308 PWs) bands (ev): 1.4912 1.4912 2.0704 2.0704 7.1541 7.1541 7.3143 7.3143 8.2375 8.2375 8.6913 8.6913 8.7619 8.7619 10.2965 10.2965 10.5183 10.5183 13.2900 13.2900 14.1393 14.1393 14.8331 14.8331 15.2251 15.2251 k = 0.5278 0.2085 0.2495 ( 1304 PWs) bands (ev): 1.5121 1.5121 2.0858 2.0858 7.1260 7.1260 7.3176 7.3176 8.2051 8.2051 8.6816 8.6816 8.7546 8.7546 10.2191 10.2191 10.4858 10.4858 13.2251 13.2251 14.1998 14.1998 14.9432 14.9432 15.3893 15.3893 k = 0.5312 0.1985 0.2552 ( 1306 PWs) bands (ev): 1.5358 1.5358 2.1032 2.1032 7.0917 7.0917 7.3227 7.3227 8.1673 8.1673 8.6708 8.6708 8.7470 8.7470 10.1402 10.1402 10.4510 10.4510 13.1647 13.1647 14.2666 14.2666 15.0501 15.0501 15.5713 15.5713 k = 0.5347 0.1884 0.2608 ( 1306 PWs) bands (ev): 1.5622 1.5622 2.1225 2.1225 7.0514 7.0514 7.3295 7.3295 8.1240 8.1240 8.6591 8.6591 8.7395 8.7395 10.0617 10.0617 10.4141 10.4141 13.1083 13.1083 14.3392 14.3392 15.1575 15.1575 15.7662 15.7662 k = 0.5382 0.1784 0.2665 ( 1305 PWs) bands (ev): 1.5913 1.5913 2.1438 2.1438 7.0047 7.0047 7.3376 7.3376 8.0758 8.0758 8.6464 8.6464 8.7323 8.7323 9.9852 9.9852 10.3754 10.3754 13.0554 13.0554 14.4172 14.4172 15.2672 15.2672 15.9707 15.9707 k = 0.5417 0.1684 0.2722 ( 1307 PWs) bands (ev): 1.6231 1.6231 2.1670 2.1670 6.9514 6.9514 7.3470 7.3470 8.0231 8.0231 8.6326 8.6326 8.7257 8.7257 9.9118 9.9118 10.3354 10.3354 13.0058 13.0058 14.5000 14.5000 15.3802 15.3802 16.1822 16.1822 k = 0.5451 0.1584 0.2778 ( 1303 PWs) bands (ev): 1.6575 1.6575 2.1920 2.1920 6.8910 6.8910 7.3575 7.3575 7.9669 7.9669 8.6179 8.6179 8.7198 8.7198 9.8424 9.8424 10.2943 10.2943 12.9591 12.9591 14.5871 14.5871 15.4970 15.4970 16.3991 16.3991 k = 0.5486 0.1483 0.2835 ( 1306 PWs) bands (ev): 1.6946 1.6946 2.2188 2.2188 6.8234 6.8234 7.3688 7.3688 7.9081 7.9081 8.6020 8.6020 8.7147 8.7147 9.7774 9.7774 10.2525 10.2525 12.9151 12.9151 14.6781 14.6781 15.6175 15.6175 16.6199 16.6199 k = 0.5521 0.1383 0.2892 ( 1306 PWs) bands (ev): 1.7342 1.7342 2.2474 2.2474 6.7481 6.7481 7.3812 7.3812 7.8480 7.8480 8.5851 8.5851 8.7105 8.7105 9.7172 9.7172 10.2101 10.2101 12.8734 12.8734 14.7726 14.7726 15.7418 15.7418 16.8428 16.8428 k = 0.5556 0.1283 0.2948 ( 1300 PWs) bands (ev): 1.7764 1.7764 2.2777 2.2777 6.6652 6.6652 7.3944 7.3944 7.7879 7.7879 8.5671 8.5671 8.7071 8.7071 9.6616 9.6616 10.1676 10.1676 12.8341 12.8341 14.8700 14.8700 15.8697 15.8697 17.0659 17.0659 k = 0.5590 0.1183 0.3005 ( 1300 PWs) bands (ev): 1.8210 1.8210 2.3097 2.3097 6.5746 6.5746 7.4082 7.4082 7.7287 7.7287 8.5482 8.5482 8.7045 8.7045 9.6104 9.6104 10.1250 10.1250 12.7967 12.7967 14.9700 14.9700 16.0009 16.0009 17.2860 17.2860 k = 0.5625 0.1083 0.3062 ( 1301 PWs) bands (ev): 1.8681 1.8681 2.3431 2.3431 6.4767 6.4767 7.4225 7.4225 7.6714 7.6714 8.5283 8.5283 8.7025 8.7025 9.5633 9.5633 10.0826 10.0826 12.7613 12.7613 15.0722 15.0722 16.1351 16.1351 17.4967 17.4967 k = 0.5660 0.0982 0.3119 ( 1298 PWs) bands (ev): 1.9176 1.9176 2.3781 2.3781 6.3720 6.3720 7.4367 7.4367 7.6172 7.6172 8.5077 8.5077 8.7012 8.7012 9.5201 9.5201 10.0405 10.0405 12.7276 12.7276 15.1761 15.1761 16.2720 16.2720 17.6824 17.6824 k = 0.5694 0.0882 0.3175 ( 1294 PWs) bands (ev): 1.9693 1.9693 2.4143 2.4143 6.2612 6.2612 7.4500 7.4500 7.5674 7.5674 8.4865 8.4865 8.7003 8.7003 9.4804 9.4804 9.9989 9.9989 12.6955 12.6955 15.2813 15.2813 16.4112 16.4112 17.8049 17.8049 k = 0.5729 0.0782 0.3232 ( 1294 PWs) bands (ev): 2.0232 2.0232 2.4518 2.4518 6.1453 6.1453 7.4572 7.4572 7.5270 7.5270 8.4648 8.4648 8.6999 8.6999 9.4438 9.4438 9.9579 9.9579 12.6650 12.6650 15.3874 15.3874 16.5520 16.5520 17.8143 17.8143 k = 0.5764 0.0682 0.3289 ( 1302 PWs) bands (ev): 2.0792 2.0792 2.4903 2.4903 6.0252 6.0252 7.4427 7.4427 7.5115 7.5115 8.4427 8.4427 8.6996 8.6996 9.4099 9.4099 9.9175 9.9175 12.6358 12.6358 15.4939 15.4939 16.6936 16.6936 17.7307 17.7307 k = 0.5799 0.0581 0.3345 ( 1302 PWs) bands (ev): 2.1371 2.1371 2.5297 2.5297 5.9020 5.9020 7.4081 7.4081 7.5195 7.5195 8.4205 8.4205 8.6995 8.6995 9.3786 9.3786 9.8780 9.8780 12.6079 12.6079 15.6006 15.6006 16.8345 16.8345 17.6079 17.6079 k = 0.5833 0.0481 0.3402 ( 1304 PWs) bands (ev): 2.1966 2.1966 2.5698 2.5698 5.7769 5.7769 7.3701 7.3701 7.5339 7.5339 8.3985 8.3985 8.6995 8.6995 9.3497 9.3497 9.8392 9.8392 12.5813 12.5813 15.7068 15.7068 16.9705 16.9705 17.4756 17.4756 k = 0.5868 0.0381 0.3459 ( 1302 PWs) bands (ev): 2.2577 2.2577 2.6105 2.6105 5.6509 5.6509 7.3333 7.3333 7.5499 7.5499 8.3770 8.3770 8.6993 8.6993 9.3230 9.3230 9.8013 9.8013 12.5558 12.5558 15.8123 15.8123 17.0828 17.0828 17.3619 17.3619 k = 0.5903 0.0281 0.3515 ( 1306 PWs) bands (ev): 2.3198 2.3198 2.6514 2.6514 5.5251 5.5251 7.2985 7.2985 7.5663 7.5663 8.3560 8.3560 8.6990 8.6990 9.2982 9.2982 9.7644 9.7644 12.5313 12.5313 15.9166 15.9166 17.0834 17.0834 17.3581 17.3581 k = 0.5938 0.0180 0.3572 ( 1303 PWs) bands (ev): 2.3825 2.3825 2.6926 2.6926 5.4009 5.4009 7.2660 7.2660 7.5825 7.5825 8.3361 8.3361 8.6983 8.6983 9.2756 9.2756 9.7284 9.7284 12.5078 12.5078 16.0193 16.0193 16.9700 16.9700 17.4677 17.4677 k = 0.5972 0.0080 0.3629 ( 1299 PWs) bands (ev): 2.4449 2.4449 2.7339 2.7339 5.2795 5.2795 7.2360 7.2360 7.5980 7.5980 8.3177 8.3177 8.6971 8.6971 9.2551 9.2551 9.6934 9.6934 12.4852 12.4852 16.1201 16.1201 16.8330 16.8330 17.6005 17.6005 k = 0.6007-0.0020 0.3686 ( 1301 PWs) bands (ev): 2.5059 2.5059 2.7755 2.7755 5.1623 5.1623 7.2083 7.2083 7.6122 7.6122 8.3009 8.3009 8.6952 8.6952 9.2365 9.2365 9.6592 9.6592 12.4634 12.4634 16.2184 16.2184 16.6922 16.6922 17.7364 17.7364 k = 0.6042-0.0120 0.3742 ( 1301 PWs) bands (ev): 2.5635 2.5635 2.8182 2.8182 5.0507 5.0507 7.1831 7.1831 7.6250 7.6250 8.2865 8.2865 8.6924 8.6924 9.2201 9.2201 9.6261 9.6261 12.4424 12.4424 16.3140 16.3140 16.5518 16.5518 17.8703 17.8703 k = 0.6076-0.0221 0.3799 ( 1301 PWs) bands (ev): 2.6152 2.6152 2.8632 2.8632 4.9465 4.9465 7.1601 7.1601 7.6358 7.6358 8.2749 8.2749 8.6886 8.6886 9.2058 9.2058 9.5939 9.5939 12.4221 12.4221 16.4041 16.4041 16.4156 16.4156 18.0000 18.0000 k = 0.6111-0.0321 0.3856 ( 1301 PWs) bands (ev): 2.6573 2.6573 2.9124 2.9124 4.8515 4.8515 7.1396 7.1396 7.6441 7.6441 8.2666 8.2666 8.6837 8.6837 9.1937 9.1937 9.5627 9.5627 12.4024 12.4024 16.2766 16.2766 16.4961 16.4961 18.1235 18.1235 k = 0.6146-0.0421 0.3912 ( 1298 PWs) bands (ev): 2.6864 2.6864 2.9674 2.9674 4.7677 4.7677 7.1214 7.1214 7.6496 7.6496 8.2621 8.2621 8.6777 8.6777 9.1840 9.1840 9.5324 9.5324 12.3833 12.3833 16.1432 16.1432 16.5818 16.5818 18.2393 18.2393 k = 0.6181-0.0521 0.3969 ( 1298 PWs) bands (ev): 2.7003 2.7003 3.0289 3.0289 4.6969 4.6969 7.1056 7.1056 7.6519 7.6519 8.2616 8.2616 8.6704 8.6704 9.1767 9.1767 9.5031 9.5031 12.3647 12.3647 16.0128 16.0128 16.6639 16.6639 18.3460 18.3460 k = 0.6215-0.0621 0.4026 ( 1296 PWs) bands (ev): 2.6979 2.6979 3.0960 3.0960 4.6410 4.6410 7.0921 7.0921 7.6509 7.6509 8.2654 8.2654 8.6618 8.6618 9.1717 9.1717 9.4749 9.4749 12.3466 12.3466 15.8856 15.8856 16.7422 16.7422 18.4422 18.4422 k = 0.6250-0.0722 0.4082 ( 1296 PWs) bands (ev): 2.6794 2.6794 3.1675 3.1675 4.6012 4.6012 7.0810 7.0810 7.6464 7.6464 8.2737 8.2737 8.6521 8.6521 9.1692 9.1692 9.4476 9.4476 12.3289 12.3289 15.7618 15.7618 16.8167 16.8167 18.5272 18.5272 k = 0.6250-0.0722 0.4082 ( 1296 PWs) bands (ev): 2.6794 2.6794 3.1675 3.1675 4.6012 4.6012 7.0810 7.0810 7.6464 7.6464 8.2737 8.2737 8.6521 8.6521 9.1692 9.1692 9.4476 9.4476 12.3289 12.3289 15.7618 15.7618 16.8167 16.8167 18.5272 18.5272 k = 0.6190-0.0687 0.4180 ( 1296 PWs) bands (ev): 2.6804 2.6804 3.1682 3.1682 4.6024 4.6024 7.0637 7.0637 7.6586 7.6586 8.2739 8.2739 8.6516 8.6516 9.1657 9.1657 9.4508 9.4508 12.3359 12.3359 15.7639 15.7639 16.7991 16.7991 18.5462 18.5462 k = 0.6131-0.0653 0.4277 ( 1297 PWs) bands (ev): 2.6836 2.6836 3.1702 3.1702 4.6059 4.6059 7.0157 7.0157 7.6911 7.6911 8.2747 8.2747 8.6501 8.6501 9.1560 9.1560 9.4600 9.4600 12.3568 12.3568 15.7704 15.7704 16.7485 16.7485 18.6011 18.6011 k = 0.6071-0.0619 0.4374 ( 1297 PWs) bands (ev): 2.6888 2.6888 3.1735 3.1735 4.6117 4.6117 6.9454 6.9454 7.7361 7.7361 8.2760 8.2760 8.6476 8.6476 9.1414 9.1414 9.4738 9.4738 12.3914 12.3914 15.7812 15.7812 16.6704 16.6704 18.6860 18.6860 k = 0.6012-0.0584 0.4471 ( 1297 PWs) bands (ev): 2.6962 2.6962 3.1780 3.1780 4.6197 4.6197 6.8597 6.8597 7.7869 7.7869 8.2779 8.2779 8.6442 8.6442 9.1236 9.1236 9.4903 9.4903 12.4393 12.4393 15.7965 15.7965 16.5716 16.5716 18.7943 18.7943 k = 0.5952-0.0550 0.4568 ( 1300 PWs) bands (ev): 2.7057 2.7057 3.1837 3.1837 4.6301 4.6301 6.7635 6.7635 7.8393 7.8393 8.2803 8.2803 8.6397 8.6397 9.1039 9.1039 9.5083 9.5083 12.4997 12.4997 15.8163 15.8163 16.4580 16.4580 18.9195 18.9195 k = 0.5893-0.0515 0.4666 ( 1296 PWs) bands (ev): 2.7172 2.7172 3.1904 3.1904 4.6427 4.6427 6.6600 6.6600 7.8910 7.8910 8.2832 8.2832 8.6343 8.6343 9.0834 9.0834 9.5267 9.5267 12.5721 12.5721 15.8408 15.8408 16.3342 16.3342 19.0567 19.0567 k = 0.5833-0.0481 0.4763 ( 1304 PWs) bands (ev): 2.7308 2.7308 3.1978 3.1978 4.6576 4.6576 6.5513 6.5513 7.9404 7.9404 8.2866 8.2866 8.6277 8.6277 9.0627 9.0627 9.5445 9.5445 12.6555 12.6555 15.8701 15.8701 16.2036 16.2036 19.2016 19.2016 k = 0.5774-0.0447 0.4860 ( 1294 PWs) bands (ev): 2.7466 2.7466 3.2059 3.2059 4.6747 4.6747 6.4391 6.4391 7.9871 7.9871 8.2908 8.2908 8.6205 8.6205 9.0427 9.0427 9.5615 9.5615 12.7488 12.7488 15.9044 15.9044 16.0690 16.0690 19.2863 19.2863 k = 0.5714-0.0412 0.4957 ( 1294 PWs) bands (ev): 2.7643 2.7643 3.2144 3.2144 4.6939 4.6939 6.3247 6.3247 8.0306 8.0306 8.2954 8.2954 8.6123 8.6123 9.0234 9.0234 9.5772 9.5772 12.8511 12.8511 15.9279 15.9279 15.9480 15.9480 19.1038 19.1038 k = 0.5655-0.0378 0.5055 ( 1294 PWs) bands (ev): 2.7842 2.7842 3.2228 3.2228 4.7151 4.7151 6.2093 6.2093 8.0708 8.0708 8.3004 8.3004 8.6033 8.6033 9.0052 9.0052 9.5914 9.5914 12.9613 12.9613 15.7925 15.7925 15.9904 15.9904 18.9227 18.9227 k = 0.5595-0.0344 0.5152 ( 1294 PWs) bands (ev): 2.8061 2.8061 3.2308 3.2308 4.7384 4.7384 6.0941 6.0941 8.1076 8.1076 8.3059 8.3059 8.5934 8.5934 8.9883 8.9883 9.6039 9.6039 13.0780 13.0780 15.6538 15.6538 16.0416 16.0416 18.7445 18.7445 k = 0.5536-0.0309 0.5249 ( 1290 PWs) bands (ev): 2.8300 2.8300 3.2379 3.2379 4.7635 4.7635 5.9803 5.9803 8.1411 8.1411 8.3120 8.3120 8.5828 8.5828 8.9729 8.9729 9.6149 9.6149 13.2001 13.2001 15.5155 15.5155 16.0991 16.0991 18.5696 18.5696 k = 0.5476-0.0275 0.5346 ( 1294 PWs) bands (ev): 2.8559 2.8559 3.2435 3.2435 4.7902 4.7902 5.8692 5.8692 8.1714 8.1714 8.3182 8.3182 8.5715 8.5715 8.9590 8.9590 9.6242 9.6242 13.3263 13.3263 15.3782 15.3782 16.1631 16.1631 18.3982 18.3982 k = 0.5417-0.0241 0.5443 ( 1290 PWs) bands (ev): 2.8838 2.8838 3.2470 3.2470 4.8183 4.8183 5.7620 5.7620 8.1985 8.1985 8.3248 8.3248 8.5598 8.5598 8.9468 8.9468 9.6322 9.6322 13.4555 13.4555 15.2422 15.2422 16.2338 16.2338 18.2309 18.2309 k = 0.5357-0.0206 0.5541 ( 1296 PWs) bands (ev): 2.9138 2.9138 3.2476 3.2476 4.8474 4.8474 5.6605 5.6605 8.2226 8.2226 8.3313 8.3313 8.5477 8.5477 8.9361 8.9361 9.6385 9.6385 13.5865 13.5865 15.1080 15.1080 16.3111 16.3111 18.0682 18.0682 k = 0.5298-0.0172 0.5638 ( 1296 PWs) bands (ev): 2.9456 2.9456 3.2443 3.2443 4.8767 4.8767 5.5665 5.5665 8.2438 8.2438 8.3374 8.3374 8.5357 8.5357 8.9272 8.9272 9.6437 9.6437 13.7180 13.7180 14.9758 14.9758 16.3948 16.3948 17.9110 17.9110 k = 0.5238-0.0137 0.5735 ( 1298 PWs) bands (ev): 2.9794 2.9794 3.2362 3.2362 4.9052 4.9052 5.4824 5.4824 8.2623 8.2623 8.3426 8.3426 8.5241 8.5241 8.9200 8.9200 9.6476 9.6476 13.8490 13.8490 14.8457 14.8457 16.4839 16.4839 17.7610 17.7610 k = 0.5179-0.0103 0.5832 ( 1302 PWs) bands (ev): 3.0152 3.0152 3.2222 3.2222 4.9313 4.9313 5.4111 5.4111 8.2780 8.2780 8.3464 8.3464 8.5137 8.5137 8.9145 8.9145 9.6503 9.6503 13.9785 13.9785 14.7181 14.7181 16.5757 16.5757 17.6211 17.6211 k = 0.5119-0.0069 0.5929 ( 1314 PWs) bands (ev): 3.0527 3.0527 3.2012 3.2012 4.9524 4.9524 5.3564 5.3564 8.2907 8.2907 8.3482 8.3482 8.5053 8.5053 8.9104 8.9104 9.6522 9.6522 14.1056 14.1056 14.5930 14.5930 16.6643 16.6643 17.4978 17.4978 k = 0.5060-0.0034 0.6027 ( 1316 PWs) bands (ev): 3.0919 3.0919 3.1725 3.1725 4.9657 4.9657 5.3223 5.3223 8.2997 8.2997 8.3482 8.3482 8.4998 8.4998 8.9081 8.9081 9.6532 9.6532 14.2294 14.2294 14.4708 14.4708 16.7362 16.7362 17.4049 17.4049 k = 0.5000-0.0000 0.6124 ( 1316 PWs) bands (ev): 3.1263 3.1263 3.1417 3.1417 4.9698 4.9698 5.3111 5.3111 8.3034 8.3034 8.3476 8.3476 8.4979 8.4979 8.9074 8.9074 9.6535 9.6535 14.3385 14.3385 14.3623 14.3623 16.7662 16.7662 17.3680 17.3680 k = 0.5000-0.0000 0.6124 ( 1316 PWs) bands (ev): 3.1263 3.1263 3.1417 3.1417 4.9698 4.9698 5.3111 5.3111 8.3034 8.3034 8.3476 8.3476 8.4979 8.4979 8.9074 8.9074 9.6535 9.6535 14.3385 14.3385 14.3623 14.3623 16.7662 16.7662 17.3680 17.3680 k = 0.5000 0.0069 0.6027 ( 1316 PWs) bands (ev): 3.1218 3.1218 3.1374 3.1374 4.9779 4.9779 5.3152 5.3152 8.2998 8.2998 8.3466 8.3466 8.5015 8.5015 8.9088 8.9088 9.6541 9.6541 14.3356 14.3356 14.3600 14.3600 16.7731 16.7731 17.3711 17.3711 k = 0.5000 0.0137 0.5929 ( 1310 PWs) bands (ev): 3.1067 3.1067 3.1263 3.1263 5.0017 5.0017 5.3275 5.3275 8.2890 8.2890 8.3450 8.3450 8.5113 8.5113 8.9131 8.9131 9.6561 9.6561 14.3252 14.3252 14.3551 14.3551 16.7937 16.7937 17.3805 17.3805 k = 0.5000 0.0206 0.5832 ( 1306 PWs) bands (ev): 3.0800 3.0800 3.1108 3.1108 5.0404 5.0404 5.3478 5.3478 8.2711 8.2711 8.3450 8.3450 8.5246 8.5246 8.9202 8.9202 9.6592 9.6592 14.3049 14.3049 14.3506 14.3506 16.8274 16.8274 17.3961 17.3961 k = 0.5000 0.0275 0.5735 ( 1302 PWs) bands (ev): 3.0429 3.0429 3.0910 3.0910 5.0926 5.0926 5.3756 5.3756 8.2480 8.2480 8.3468 8.3468 8.5394 8.5394 8.9302 8.9302 9.6637 9.6637 14.2753 14.2753 14.3466 14.3466 16.8735 16.8735 17.4179 17.4179 k = 0.5000 0.0344 0.5638 ( 1300 PWs) bands (ev): 2.9976 2.9976 3.0671 3.0671 5.1568 5.1568 5.4104 5.4104 8.2214 8.2214 8.3501 8.3501 8.5543 8.5543 8.9429 8.9429 9.6694 9.6694 14.2379 14.2379 14.3426 14.3426 16.9310 16.9310 17.4458 17.4458 k = 0.5000 0.0412 0.5541 ( 1302 PWs) bands (ev): 2.9457 2.9457 3.0392 3.0392 5.2313 5.2313 5.4517 5.4517 8.1927 8.1927 8.3546 8.3546 8.5684 8.5684 8.9582 8.9582 9.6764 9.6764 14.1942 14.1942 14.3381 14.3381 16.9988 16.9988 17.4796 17.4796 k = 0.5000 0.0481 0.5443 ( 1304 PWs) bands (ev): 2.8887 2.8887 3.0078 3.0078 5.3146 5.3146 5.4989 5.4989 8.1626 8.1626 8.3602 8.3602 8.5814 8.5814 8.9761 8.9761 9.6848 9.6848 14.1453 14.1453 14.3332 14.3332 17.0758 17.0758 17.5192 17.5192 k = 0.5000 0.0550 0.5346 ( 1302 PWs) bands (ev): 2.8280 2.8280 2.9735 2.9735 5.4053 5.4053 5.5513 5.5513 8.1317 8.1317 8.3669 8.3669 8.5931 8.5931 8.9964 8.9964 9.6945 9.6945 14.0924 14.0924 14.3278 14.3278 17.1609 17.1609 17.5644 17.5644 k = 0.5000 0.0619 0.5249 ( 1300 PWs) bands (ev): 2.7647 2.7647 2.9367 2.9367 5.5023 5.5023 5.6084 5.6084 8.1003 8.1003 8.3745 8.3745 8.6034 8.6034 9.0189 9.0189 9.7057 9.7057 14.0363 14.0363 14.3220 14.3220 17.2532 17.2532 17.6150 17.6150 k = 0.5000 0.0687 0.5152 ( 1302 PWs) bands (ev): 2.6996 2.6996 2.8979 2.8979 5.6044 5.6044 5.6696 5.6696 8.0688 8.0688 8.3830 8.3830 8.6123 8.6123 9.0431 9.0431 9.7184 9.7184 13.9781 13.9781 14.3157 14.3157 17.3514 17.3514 17.6705 17.6705 k = 0.5000 0.0756 0.5055 ( 1302 PWs) bands (ev): 2.6335 2.6335 2.8577 2.8577 5.7100 5.7100 5.7350 5.7350 8.0374 8.0374 8.3923 8.3923 8.6202 8.6202 9.0692 9.0692 9.7326 9.7326 13.9184 13.9184 14.3091 14.3091 17.4545 17.4545 17.7307 17.7307 k = 0.5000 0.0825 0.4957 ( 1300 PWs) bands (ev): 2.5671 2.5671 2.8163 2.8163 5.7987 5.7987 5.8236 5.8236 8.0064 8.0064 8.4024 8.4024 8.6272 8.6272 9.0968 9.0968 9.7484 9.7484 13.8580 13.8580 14.3021 14.3021 17.5612 17.5612 17.7948 17.7949 k = 0.5000 0.0894 0.4860 ( 1302 PWs) bands (ev): 2.5007 2.5007 2.7742 2.7742 5.8693 5.8693 5.9355 5.9355 7.9761 7.9761 8.4133 8.4133 8.6332 8.6332 9.1258 9.1258 9.7659 9.7659 13.7975 13.7975 14.2948 14.2948 17.6699 17.6699 17.8620 17.8620 k = 0.5000 0.0962 0.4763 ( 1302 PWs) bands (ev): 2.4350 2.4350 2.7318 2.7318 5.9407 5.9407 6.0502 6.0502 7.9465 7.9465 8.4248 8.4248 8.6386 8.6386 9.1562 9.1562 9.7850 9.7850 13.7373 13.7373 14.2873 14.2873 17.7777 17.7777 17.9305 17.9305 k = 0.5000 0.1031 0.4666 ( 1300 PWs) bands (ev): 2.3700 2.3700 2.6893 2.6893 6.0133 6.0133 6.1664 6.1664 7.9181 7.9181 8.4370 8.4370 8.6436 8.6436 9.1879 9.1879 9.8060 9.8060 13.6781 13.6781 14.2797 14.2797 17.8792 17.8792 17.9974 17.9974 k = 0.5000 0.1100 0.4568 ( 1300 PWs) bands (ev): 2.3063 2.3063 2.6469 2.6469 6.0867 6.0867 6.2833 6.2833 7.8910 7.8910 8.4497 8.4497 8.6481 8.6481 9.2209 9.2209 9.8287 9.8287 13.6203 13.6203 14.2718 14.2718 17.9620 17.9620 18.0566 18.0566 k = 0.5000 0.1168 0.4471 ( 1300 PWs) bands (ev): 2.2439 2.2439 2.6050 2.6050 6.1604 6.1604 6.4001 6.4001 7.8655 7.8655 8.4629 8.4629 8.6523 8.6523 9.2552 9.2552 9.8533 9.8533 13.5642 13.5642 14.2639 14.2639 17.9984 17.9984 18.0952 18.0952 k = 0.5000 0.1237 0.4374 ( 1302 PWs) bands (ev): 2.1831 2.1831 2.5637 2.5637 6.2341 6.2341 6.5159 6.5159 7.8422 7.8422 8.4764 8.4764 8.6564 8.6564 9.2909 9.2909 9.8799 9.8799 13.5104 13.5104 14.2558 14.2558 17.9527 17.9527 18.0883 18.0883 k = 0.5000 0.1306 0.4277 ( 1302 PWs) bands (ev): 2.1241 2.1241 2.5232 2.5232 6.3073 6.3073 6.6297 6.6297 7.8215 7.8215 8.4904 8.4904 8.6604 8.6604 9.3283 9.3283 9.9084 9.9084 13.4591 13.4591 14.2477 14.2477 17.8324 17.8324 18.0103 18.0103 k = 0.5000 0.1375 0.4180 ( 1302 PWs) bands (ev): 2.0669 2.0669 2.4836 2.4836 6.3797 6.3797 6.7403 6.7403 7.8041 7.8041 8.5046 8.5046 8.6644 8.6644 9.3674 9.3674 9.9388 9.9388 13.4107 13.4107 14.2394 14.2394 17.6728 17.6728 17.8689 17.8689 k = 0.5000 0.1443 0.4082 ( 1286 PWs) bands (ev): 2.0118 2.0118 2.4451 2.4451 6.4509 6.4509 6.8463 6.8463 7.7911 7.7911 8.5191 8.5191 8.6688 8.6688 9.4088 9.4088 9.9713 9.9713 13.3657 13.3657 14.2312 14.2312 17.4956 17.4956 17.6919 17.6919 k = 0.5000 0.1512 0.3985 ( 1300 PWs) bands (ev): 1.9587 1.9587 2.4079 2.4079 6.5204 6.5204 6.9457 6.9457 7.7833 7.7833 8.5334 8.5334 8.6729 8.6729 9.4523 9.4523 10.0055 10.0055 13.3244 13.3244 14.2227 14.2227 17.3099 17.3099 17.4982 17.4982 k = 0.5000 0.1581 0.3888 ( 1300 PWs) bands (ev): 1.9079 1.9079 2.3719 2.3719 6.5882 6.5882 7.0363 7.0363 7.7827 7.7827 8.5477 8.5477 8.6776 8.6776 9.4985 9.4985 10.0416 10.0416 13.2872 13.2872 14.2142 14.2142 17.1201 17.1201 17.2974 17.2974 k = 0.5000 0.1650 0.3791 ( 1300 PWs) bands (ev): 1.8593 1.8593 2.3374 2.3374 6.6537 6.6537 7.1157 7.1157 7.7910 7.7910 8.5619 8.5619 8.6826 8.6826 9.5476 9.5476 10.0795 10.0795 13.2546 13.2546 14.2055 14.2055 16.9284 16.9284 17.0940 17.0940 k = 0.5000 0.1718 0.3694 ( 1300 PWs) bands (ev): 1.8131 1.8131 2.3044 2.3044 6.7168 6.7168 7.1814 7.1814 7.8097 7.8097 8.5758 8.5758 8.6881 8.6881 9.6001 9.6001 10.1188 10.1188 13.2269 13.2269 14.1965 14.1965 16.7360 16.7360 16.8906 16.8906 k = 0.5000 0.1787 0.3596 ( 1300 PWs) bands (ev): 1.7693 1.7693 2.2729 2.2729 6.7771 6.7771 7.2322 7.2322 7.8397 7.8397 8.5894 8.5894 8.6940 8.6940 9.6562 9.6562 10.1594 10.1594 13.2046 13.2046 14.1873 14.1873 16.5440 16.5440 16.6891 16.6891 k = 0.5000 0.1856 0.3499 ( 1306 PWs) bands (ev): 1.7279 1.7279 2.2431 2.2431 6.8343 6.8343 7.2683 7.2683 7.8797 7.8797 8.6026 8.6026 8.7004 8.7004 9.7161 9.7161 10.2010 10.2010 13.1882 13.1882 14.1776 14.1776 16.3530 16.3530 16.4906 16.4906 k = 0.5000 0.1925 0.3402 ( 1306 PWs) bands (ev): 1.6891 1.6891 2.2150 2.2150 6.8883 6.8883 7.2918 7.2918 7.9273 7.9273 8.6154 8.6154 8.7073 8.7073 9.7800 9.7800 10.2432 10.2432 13.1781 13.1781 14.1673 14.1673 16.1636 16.1636 16.2965 16.2965 k = 0.5000 0.1993 0.3305 ( 1306 PWs) bands (ev): 1.6528 1.6528 2.1886 2.1886 6.9388 6.9388 7.3058 7.3058 7.9788 7.9788 8.6278 8.6278 8.7147 8.7147 9.8478 9.8478 10.2856 10.2856 13.1749 13.1749 14.1564 14.1564 15.9763 15.9763 16.1078 16.1078 k = 0.5000 0.2062 0.3208 ( 1306 PWs) bands (ev): 1.6190 1.6190 2.1640 2.1640 6.9857 6.9857 7.3129 7.3129 8.0311 8.0311 8.6398 8.6398 8.7225 8.7225 9.9192 9.9192 10.3278 10.3278 13.1791 13.1791 14.1445 14.1445 15.7916 15.7916 15.9257 15.9257 k = 0.5000 0.2131 0.3110 ( 1306 PWs) bands (ev): 1.5879 1.5879 2.1413 2.1413 7.0287 7.0287 7.3156 7.3156 8.0816 8.0816 8.6513 8.6513 8.7305 8.7305 9.9939 9.9939 10.3693 10.3693 13.1910 13.1910 14.1314 14.1314 15.6099 15.6099 15.7515 15.7515 k = 0.5000 0.2199 0.3013 ( 1304 PWs) bands (ev): 1.5593 1.5593 2.1204 2.1204 7.0677 7.0677 7.3157 7.3157 8.1285 8.1285 8.6624 8.6624 8.7387 8.7387 10.0709 10.0709 10.4095 10.4095 13.2113 13.2113 14.1167 14.1167 15.4315 15.4315 15.5865 15.5865 k = 0.5000 0.2268 0.2916 ( 1306 PWs) bands (ev): 1.5335 1.5335 2.1015 2.1015 7.1024 7.1024 7.3144 7.3144 8.1708 8.1708 8.6730 8.6730 8.7468 8.7468 10.1491 10.1491 10.4479 10.4479 13.2403 13.2403 14.1003 14.1003 15.2570 15.2570 15.4323 15.4323 k = 0.5000 0.2337 0.2819 ( 1304 PWs) bands (ev): 1.5103 1.5103 2.0844 2.0844 7.1326 7.1326 7.3130 7.3130 8.2078 8.2078 8.6830 8.6830 8.7547 8.7547 10.2272 10.2272 10.4841 10.4841 13.2783 13.2783 14.0817 14.0817 15.0866 15.0866 15.2907 15.2907 k = 0.5000 0.2406 0.2722 ( 1310 PWs) bands (ev): 1.4898 1.4898 2.0694 2.0694 7.1581 7.1581 7.3120 7.3120 8.2394 8.2394 8.6922 8.6922 8.7622 8.7622 10.3033 10.3033 10.5176 10.5176 13.3257 13.3257 14.0608 14.0608 14.9209 14.9209 15.1634 15.1634 k = 0.5000 0.2474 0.2624 ( 1310 PWs) bands (ev): 1.4720 1.4720 2.0562 2.0562 7.1787 7.1787 7.3120 7.3120 8.2660 8.2660 8.7007 8.7007 8.7692 8.7692 10.3753 10.3753 10.5482 10.5482 13.3827 13.3827 14.0379 14.0379 14.7602 14.7602 15.0519 15.0519 k = 0.5000 0.2543 0.2527 ( 1312 PWs) bands (ev): 1.4569 1.4569 2.0451 2.0451 7.1944 7.1944 7.3134 7.3134 8.2876 8.2876 8.7080 8.7080 8.7754 8.7754 10.4407 10.4407 10.5758 10.5758 13.4493 13.4493 14.0134 14.0134 14.6051 14.6051 14.9575 14.9575 k = 0.5000 0.2612 0.2430 ( 1308 PWs) bands (ev): 1.4445 1.4445 2.0360 2.0360 7.2056 7.2056 7.3159 7.3159 8.3046 8.3046 8.7144 8.7144 8.7810 8.7810 10.4968 10.4968 10.6005 10.6005 13.5254 13.5254 13.9887 13.9887 14.4559 14.4559 14.8811 14.8811 k = 0.5000 0.2681 0.2333 ( 1310 PWs) bands (ev): 1.4349 1.4349 2.0289 2.0289 7.2129 7.2129 7.3190 7.3190 8.3174 8.3174 8.7194 8.7194 8.7854 8.7854 10.5406 10.5406 10.6228 10.6228 13.6109 13.6109 13.9658 13.9658 14.3134 14.3134 14.8226 14.8226 k = 0.5000 0.2749 0.2236 ( 1308 PWs) bands (ev): 1.4280 1.4280 2.0238 2.0238 7.2174 7.2174 7.3220 7.3220 8.3263 8.3263 8.7230 8.7230 8.7887 8.7887 10.5704 10.5704 10.6421 10.6421 13.7053 13.7053 13.9469 13.9469 14.1781 14.1781 14.7817 14.7817 k = 0.5000 0.2818 0.2138 ( 1308 PWs) bands (ev): 1.4239 1.4239 2.0208 2.0208 7.2197 7.2197 7.3241 7.3241 8.3316 8.3316 8.7252 8.7252 8.7907 8.7907 10.5869 10.5869 10.6559 10.6559 13.8071 13.8071 13.9339 13.9339 14.0522 14.0522 14.7575 14.7575 k = 0.5000 0.2887 0.2041 ( 1308 PWs) bands (ev): 1.4225 1.4225 2.0198 2.0198 7.2204 7.2204 7.3249 7.3249 8.3333 8.3333 8.7259 8.7259 8.7913 8.7913 10.5921 10.5921 10.6610 10.6610 13.8935 13.8935 13.9214 13.9214 13.9659 13.9659 14.7496 14.7496 k = 0.5000 0.2887 0.2041 ( 1308 PWs) bands (ev): 1.4225 1.4225 2.0198 2.0198 7.2204 7.2204 7.3249 7.3249 8.3333 8.3333 8.7259 8.7259 8.7913 8.7913 10.5921 10.5921 10.6610 10.6610 13.8935 13.8935 13.9214 13.9214 13.9659 13.9659 14.7496 14.7496 k = 0.4965 0.2867 0.2155 ( 1308 PWs) bands (ev): 1.4239 1.4239 2.0208 2.0208 7.2197 7.2197 7.3241 7.3241 8.3315 8.3315 8.7252 8.7252 8.7907 8.7907 10.5868 10.5868 10.6558 10.6558 13.8060 13.8060 13.9341 13.9341 14.0534 14.0534 14.7577 14.7577 k = 0.4931 0.2847 0.2268 ( 1308 PWs) bands (ev): 1.4282 1.4282 2.0239 2.0239 7.2173 7.2173 7.3220 7.3220 8.3262 8.3262 8.7230 8.7230 8.7886 8.7886 10.5699 10.5699 10.6418 10.6418 13.7029 13.7029 13.9480 13.9480 14.1804 14.1804 14.7824 14.7824 k = 0.4896 0.2827 0.2381 ( 1310 PWs) bands (ev): 1.4352 1.4352 2.0291 2.0291 7.2127 7.2127 7.3189 7.3189 8.3171 8.3171 8.7193 8.7193 8.7853 8.7853 10.5394 10.5394 10.6223 10.6223 13.6066 13.6066 13.9701 13.9701 14.3150 14.3150 14.8247 14.8247 k = 0.4861 0.2807 0.2495 ( 1310 PWs) bands (ev): 1.4450 1.4450 2.0363 2.0363 7.2051 7.2051 7.3159 7.3159 8.3040 8.3040 8.7141 8.7141 8.7807 8.7807 10.4944 10.4944 10.5999 10.5999 13.5177 13.5177 14.0007 14.0007 14.4525 14.4525 14.8868 14.8868 k = 0.4826 0.2787 0.2608 ( 1310 PWs) bands (ev): 1.4576 1.4576 2.0456 2.0456 7.1933 7.1933 7.3136 7.3136 8.2866 8.2866 8.7077 8.7077 8.7752 8.7752 10.4369 10.4369 10.5753 10.5753 13.4357 13.4357 14.0393 14.0393 14.5878 14.5878 14.9721 14.9721 k = 0.4792 0.2766 0.2722 ( 1312 PWs) bands (ev): 1.4730 1.4730 2.0570 2.0570 7.1765 7.1765 7.3129 7.3129 8.2645 8.2645 8.7000 8.7000 8.7688 8.7688 10.3700 10.3700 10.5481 10.5481 13.3600 13.3600 14.0857 14.0857 14.7154 14.7154 15.0847 15.0847 k = 0.4757 0.2746 0.2835 ( 1308 PWs) bands (ev): 1.4912 1.4912 2.0704 2.0704 7.1541 7.1541 7.3143 7.3143 8.2375 8.2375 8.6913 8.6913 8.7619 8.7619 10.2965 10.2965 10.5183 10.5183 13.2900 13.2900 14.1393 14.1393 14.8331 14.8331 15.2251 15.2251 k = 0.4722 0.2726 0.2948 ( 1304 PWs) bands (ev): 1.5121 1.5121 2.0858 2.0858 7.1260 7.1260 7.3176 7.3176 8.2051 8.2051 8.6816 8.6816 8.7546 8.7546 10.2191 10.2191 10.4858 10.4858 13.2251 13.2251 14.1998 14.1998 14.9432 14.9432 15.3893 15.3893 k = 0.4688 0.2706 0.3062 ( 1306 PWs) bands (ev): 1.5358 1.5358 2.1032 2.1032 7.0917 7.0917 7.3227 7.3227 8.1673 8.1673 8.6708 8.6708 8.7470 8.7470 10.1402 10.1402 10.4510 10.4510 13.1647 13.1647 14.2666 14.2666 15.0501 15.0501 15.5713 15.5713 k = 0.4653 0.2686 0.3175 ( 1306 PWs) bands (ev): 1.5622 1.5622 2.1225 2.1225 7.0514 7.0514 7.3295 7.3295 8.1240 8.1240 8.6591 8.6591 8.7395 8.7395 10.0617 10.0617 10.4141 10.4141 13.1083 13.1083 14.3392 14.3392 15.1575 15.1575 15.7662 15.7662 k = 0.4618 0.2666 0.3289 ( 1305 PWs) bands (ev): 1.5913 1.5913 2.1438 2.1438 7.0047 7.0047 7.3376 7.3376 8.0758 8.0758 8.6464 8.6464 8.7323 8.7323 9.9852 9.9852 10.3754 10.3754 13.0554 13.0554 14.4172 14.4172 15.2672 15.2672 15.9707 15.9707 k = 0.4583 0.2646 0.3402 ( 1307 PWs) bands (ev): 1.6231 1.6231 2.1670 2.1670 6.9514 6.9514 7.3470 7.3470 8.0231 8.0231 8.6326 8.6326 8.7257 8.7257 9.9118 9.9118 10.3354 10.3354 13.0058 13.0058 14.5000 14.5000 15.3802 15.3802 16.1822 16.1822 k = 0.4549 0.2626 0.3515 ( 1303 PWs) bands (ev): 1.6575 1.6575 2.1920 2.1920 6.8910 6.8910 7.3575 7.3575 7.9669 7.9669 8.6179 8.6179 8.7198 8.7198 9.8424 9.8424 10.2943 10.2943 12.9591 12.9591 14.5871 14.5871 15.4969 15.4969 16.3991 16.3991 k = 0.4514 0.2606 0.3629 ( 1306 PWs) bands (ev): 1.6946 1.6946 2.2188 2.2188 6.8234 6.8234 7.3688 7.3688 7.9081 7.9081 8.6020 8.6020 8.7147 8.7147 9.7774 9.7774 10.2525 10.2525 12.9151 12.9151 14.6781 14.6781 15.6175 15.6175 16.6199 16.6199 k = 0.4479 0.2586 0.3742 ( 1306 PWs) bands (ev): 1.7342 1.7342 2.2474 2.2474 6.7481 6.7481 7.3812 7.3812 7.8480 7.8480 8.5851 8.5851 8.7105 8.7105 9.7172 9.7172 10.2101 10.2101 12.8734 12.8734 14.7726 14.7726 15.7418 15.7418 16.8428 16.8428 k = 0.4444 0.2566 0.3856 ( 1300 PWs) bands (ev): 1.7764 1.7764 2.2777 2.2777 6.6652 6.6652 7.3944 7.3944 7.7879 7.7879 8.5671 8.5671 8.7071 8.7071 9.6616 9.6616 10.1676 10.1676 12.8341 12.8341 14.8700 14.8700 15.8697 15.8697 17.0659 17.0659 k = 0.4410 0.2546 0.3969 ( 1300 PWs) bands (ev): 1.8210 1.8210 2.3097 2.3097 6.5746 6.5746 7.4082 7.4082 7.7287 7.7287 8.5482 8.5482 8.7045 8.7045 9.6104 9.6104 10.1250 10.1250 12.7967 12.7967 14.9700 14.9700 16.0009 16.0009 17.2860 17.2860 k = 0.4375 0.2526 0.4082 ( 1301 PWs) bands (ev): 1.8681 1.8681 2.3431 2.3431 6.4767 6.4767 7.4225 7.4225 7.6714 7.6714 8.5283 8.5283 8.7025 8.7025 9.5633 9.5633 10.0826 10.0826 12.7613 12.7613 15.0722 15.0722 16.1351 16.1351 17.4967 17.4967 k = 0.4340 0.2506 0.4196 ( 1298 PWs) bands (ev): 1.9176 1.9176 2.3781 2.3781 6.3720 6.3720 7.4367 7.4367 7.6172 7.6172 8.5077 8.5077 8.7012 8.7012 9.5201 9.5201 10.0405 10.0405 12.7276 12.7276 15.1761 15.1761 16.2720 16.2720 17.6824 17.6824 k = 0.4306 0.2486 0.4309 ( 1294 PWs) bands (ev): 1.9693 1.9693 2.4143 2.4143 6.2612 6.2612 7.4500 7.4500 7.5674 7.5674 8.4865 8.4865 8.7003 8.7003 9.4804 9.4804 9.9989 9.9989 12.6955 12.6955 15.2813 15.2813 16.4112 16.4112 17.8049 17.8049 k = 0.4271 0.2466 0.4423 ( 1294 PWs) bands (ev): 2.0232 2.0232 2.4518 2.4518 6.1453 6.1453 7.4572 7.4572 7.5270 7.5270 8.4648 8.4648 8.6999 8.6999 9.4438 9.4438 9.9579 9.9579 12.6650 12.6650 15.3874 15.3874 16.5520 16.5520 17.8143 17.8143 k = 0.4236 0.2446 0.4536 ( 1302 PWs) bands (ev): 2.0792 2.0792 2.4903 2.4903 6.0252 6.0252 7.4427 7.4427 7.5115 7.5115 8.4427 8.4427 8.6996 8.6996 9.4099 9.4099 9.9175 9.9175 12.6358 12.6358 15.4939 15.4939 16.6936 16.6936 17.7307 17.7307 k = 0.4201 0.2426 0.4649 ( 1302 PWs) bands (ev): 2.1371 2.1371 2.5297 2.5297 5.9020 5.9020 7.4081 7.4081 7.5195 7.5195 8.4205 8.4205 8.6995 8.6995 9.3786 9.3786 9.8780 9.8780 12.6079 12.6079 15.6006 15.6006 16.8345 16.8345 17.6079 17.6079 k = 0.4167 0.2406 0.4763 ( 1304 PWs) bands (ev): 2.1966 2.1966 2.5698 2.5698 5.7769 5.7769 7.3701 7.3701 7.5339 7.5339 8.3985 8.3985 8.6995 8.6995 9.3497 9.3497 9.8392 9.8392 12.5813 12.5813 15.7068 15.7068 16.9705 16.9705 17.4756 17.4756 k = 0.4132 0.2386 0.4876 ( 1302 PWs) bands (ev): 2.2577 2.2577 2.6105 2.6105 5.6509 5.6509 7.3333 7.3333 7.5499 7.5499 8.3770 8.3770 8.6993 8.6993 9.3230 9.3230 9.8013 9.8013 12.5558 12.5558 15.8123 15.8123 17.0828 17.0828 17.3619 17.3619 k = 0.4097 0.2366 0.4990 ( 1306 PWs) bands (ev): 2.3198 2.3198 2.6514 2.6514 5.5251 5.5251 7.2985 7.2985 7.5663 7.5663 8.3560 8.3560 8.6990 8.6990 9.2982 9.2982 9.7644 9.7644 12.5313 12.5313 15.9166 15.9166 17.0834 17.0834 17.3581 17.3581 k = 0.4062 0.2345 0.5103 ( 1303 PWs) bands (ev): 2.3825 2.3825 2.6926 2.6926 5.4009 5.4009 7.2660 7.2660 7.5825 7.5825 8.3361 8.3361 8.6983 8.6983 9.2756 9.2756 9.7284 9.7284 12.5078 12.5078 16.0193 16.0193 16.9700 16.9700 17.4677 17.4677 k = 0.4028 0.2325 0.5217 ( 1299 PWs) bands (ev): 2.4449 2.4449 2.7339 2.7339 5.2795 5.2795 7.2360 7.2360 7.5980 7.5980 8.3177 8.3177 8.6971 8.6971 9.2551 9.2551 9.6934 9.6934 12.4852 12.4852 16.1201 16.1201 16.8330 16.8330 17.6005 17.6005 k = 0.3993 0.2305 0.5330 ( 1301 PWs) bands (ev): 2.5059 2.5059 2.7755 2.7755 5.1623 5.1623 7.2083 7.2083 7.6122 7.6122 8.3009 8.3009 8.6952 8.6952 9.2365 9.2365 9.6592 9.6592 12.4634 12.4634 16.2184 16.2184 16.6922 16.6922 17.7364 17.7364 k = 0.3958 0.2285 0.5443 ( 1301 PWs) bands (ev): 2.5635 2.5635 2.8182 2.8182 5.0507 5.0507 7.1831 7.1831 7.6250 7.6250 8.2865 8.2865 8.6924 8.6924 9.2201 9.2201 9.6261 9.6261 12.4424 12.4424 16.3140 16.3140 16.5518 16.5518 17.8703 17.8703 k = 0.3924 0.2265 0.5557 ( 1301 PWs) bands (ev): 2.6152 2.6152 2.8632 2.8632 4.9465 4.9465 7.1601 7.1601 7.6358 7.6358 8.2749 8.2749 8.6886 8.6886 9.2058 9.2058 9.5939 9.5939 12.4221 12.4221 16.4041 16.4041 16.4156 16.4156 18.0000 18.0000 k = 0.3889 0.2245 0.5670 ( 1301 PWs) bands (ev): 2.6573 2.6573 2.9124 2.9124 4.8515 4.8515 7.1396 7.1396 7.6441 7.6441 8.2666 8.2666 8.6837 8.6837 9.1937 9.1937 9.5627 9.5627 12.4024 12.4024 16.2766 16.2766 16.4961 16.4961 18.1235 18.1235 k = 0.3854 0.2225 0.5784 ( 1298 PWs) bands (ev): 2.6864 2.6864 2.9674 2.9674 4.7677 4.7677 7.1214 7.1214 7.6496 7.6496 8.2621 8.2621 8.6777 8.6777 9.1840 9.1840 9.5324 9.5324 12.3833 12.3833 16.1432 16.1432 16.5818 16.5818 18.2393 18.2393 k = 0.3819 0.2205 0.5897 ( 1298 PWs) bands (ev): 2.7003 2.7003 3.0289 3.0289 4.6969 4.6969 7.1056 7.1056 7.6519 7.6519 8.2616 8.2616 8.6704 8.6704 9.1767 9.1767 9.5031 9.5031 12.3647 12.3647 16.0128 16.0128 16.6639 16.6639 18.3460 18.3460 k = 0.3785 0.2185 0.6010 ( 1296 PWs) bands (ev): 2.6979 2.6979 3.0960 3.0960 4.6410 4.6410 7.0921 7.0921 7.6509 7.6509 8.2654 8.2654 8.6618 8.6618 9.1717 9.1717 9.4749 9.4749 12.3466 12.3466 15.8856 15.8856 16.7422 16.7422 18.4422 18.4422 k = 0.3750 0.2165 0.6124 ( 1296 PWs) bands (ev): 2.6794 2.6794 3.1675 3.1675 4.6012 4.6012 7.0810 7.0810 7.6464 7.6464 8.2737 8.2737 8.6521 8.6521 9.1692 9.1692 9.4476 9.4476 12.3289 12.3289 15.7618 15.7618 16.8167 16.8167 18.5272 18.5272 k = 0.6250-0.0722 0.4082 ( 1296 PWs) bands (ev): 2.6794 2.6794 3.1675 3.1675 4.6012 4.6012 7.0810 7.0810 7.6464 7.6464 8.2737 8.2737 8.6521 8.6521 9.1692 9.1692 9.4476 9.4476 12.3289 12.3289 15.7618 15.7618 16.8167 16.8167 18.5272 18.5272 k = 0.6190-0.0825 0.4082 ( 1304 PWs) bands (ev): 2.6348 2.6348 3.2921 3.2921 4.5486 4.5486 7.0657 7.0657 7.6361 7.6361 8.2909 8.2909 8.6349 8.6349 9.1655 9.1655 9.4028 9.4028 12.2986 12.2986 15.5558 15.5558 16.9428 16.9428 18.6624 18.6624 k = 0.6131-0.0928 0.4082 ( 1304 PWs) bands (ev): 2.5924 2.5924 3.4145 3.4145 4.4984 4.4984 7.0546 7.0546 7.6262 7.6262 8.3073 8.3073 8.6189 8.6189 9.1595 9.1595 9.3603 9.3603 12.2680 12.2680 15.3571 15.3571 17.0721 17.0721 18.7964 18.7964 k = 0.6071-0.1031 0.4082 ( 1298 PWs) bands (ev): 2.5520 2.5520 3.5340 3.5340 4.4509 4.4509 7.0478 7.0478 7.6168 7.6168 8.3226 8.3226 8.6040 8.6040 9.1508 9.1508 9.3203 9.3203 12.2369 12.2369 15.1663 15.1663 17.2045 17.2045 18.9290 18.9290 k = 0.6012-0.1134 0.4082 ( 1302 PWs) bands (ev): 2.5137 2.5137 3.6499 3.6499 4.4063 4.4063 7.0455 7.0455 7.6077 7.6077 8.3369 8.3369 8.5901 8.5901 9.1392 9.1392 9.2825 9.2825 12.2049 12.2049 14.9838 14.9838 17.3402 17.3402 19.0598 19.0598 k = 0.5952-0.1237 0.4082 ( 1302 PWs) bands (ev): 2.4776 2.4776 3.7612 3.7612 4.3651 4.3651 7.0480 7.0480 7.5991 7.5991 8.3501 8.3501 8.5772 8.5772 9.1246 9.1246 9.2470 9.2470 12.1721 12.1721 14.8104 14.8104 17.4790 17.4790 19.1885 19.1885 k = 0.5893-0.1340 0.4082 ( 1300 PWs) bands (ev): 2.4435 2.4435 3.8667 3.8667 4.3281 4.3281 7.0555 7.0555 7.5909 7.5909 8.3622 8.3622 8.5655 8.5655 9.1071 9.1071 9.2137 9.2137 12.1383 12.1383 14.6467 14.6467 17.6210 17.6210 19.3147 19.3147 k = 0.5833-0.1443 0.4082 ( 1310 PWs) bands (ev): 2.4116 2.4116 3.9637 3.9637 4.2974 4.2974 7.0681 7.0681 7.5832 7.5832 8.3731 8.3731 8.5546 8.5546 9.0863 9.0863 9.1823 9.1823 12.1035 12.1035 14.4932 14.4932 17.7660 17.7660 19.4378 19.4378 k = 0.5774-0.1546 0.4082 ( 1310 PWs) bands (ev): 2.3818 2.3818 4.0462 4.0462 4.2784 4.2784 7.0861 7.0861 7.5759 7.5759 8.3828 8.3828 8.5450 8.5450 9.0623 9.0623 9.1530 9.1530 12.0677 12.0677 14.3505 14.3505 17.9142 17.9142 19.5575 19.5575 k = 0.5714-0.1650 0.4082 ( 1314 PWs) bands (ev): 2.3542 2.3542 4.1001 4.1001 4.2848 4.2848 7.1095 7.1095 7.5692 7.5692 8.3911 8.3911 8.5366 8.5366 9.0351 9.0351 9.1257 9.1257 12.0312 12.0312 14.2189 14.2189 18.0654 18.0654 19.6730 19.6730 k = 0.5655-0.1753 0.4082 ( 1310 PWs) bands (ev): 2.3288 2.3288 4.1143 4.1143 4.3272 4.3272 7.1382 7.1382 7.5629 7.5629 8.3982 8.3982 8.5295 8.5295 9.0047 9.0047 9.1006 9.1006 11.9941 11.9941 14.0987 14.0987 18.2195 18.2195 19.7839 19.7839 k = 0.5595-0.1856 0.4082 ( 1310 PWs) bands (ev): 2.3055 2.3055 4.1047 4.1047 4.3891 4.3891 7.1719 7.1719 7.5571 7.5571 8.4039 8.4039 8.5236 8.5236 8.9710 8.9710 9.0777 9.0777 11.9569 11.9569 13.9902 13.9902 18.3764 18.3764 19.8893 19.8893 k = 0.5536-0.1959 0.4082 ( 1314 PWs) bands (ev): 2.2844 2.2844 4.0875 4.0875 4.4540 4.4540 7.2101 7.2101 7.5519 7.5519 8.4080 8.4080 8.5188 8.5188 8.9343 8.9343 9.0569 9.0569 11.9200 11.9200 13.8934 13.8934 18.5361 18.5361 19.9886 19.9886 k = 0.5476-0.2062 0.4082 ( 1302 PWs) bands (ev): 2.2656 2.2656 4.0690 4.0690 4.5154 4.5154 7.2523 7.2523 7.5471 7.5471 8.4108 8.4108 8.5155 8.5155 8.8952 8.8952 9.0387 9.0387 11.8843 11.8843 13.8082 13.8082 18.6984 18.6984 20.0810 20.0810 k = 0.5417-0.2165 0.4082 ( 1304 PWs) bands (ev): 2.2489 2.2489 4.0513 4.0513 4.5710 4.5710 7.2973 7.2973 7.5430 7.5430 8.4119 8.4119 8.5130 8.5130 8.8543 8.8543 9.0226 9.0226 11.8502 11.8502 13.7343 13.7343 18.8629 18.8629 20.1655 20.1655 k = 0.5357-0.2268 0.4082 ( 1304 PWs) bands (ev): 2.2344 2.2344 4.0353 4.0353 4.6198 4.6198 7.3437 7.3437 7.5393 7.5393 8.4118 8.4118 8.5115 8.5115 8.8129 8.8129 9.0087 9.0087 11.8187 11.8187 13.6715 13.6715 19.0292 19.0292 20.2413 20.2413 k = 0.5298-0.2371 0.4082 ( 1306 PWs) bands (ev): 2.2222 2.2222 4.0214 4.0214 4.6611 4.6611 7.3897 7.3897 7.5363 7.5363 8.4103 8.4103 8.5106 8.5106 8.7726 8.7726 8.9970 8.9970 11.7905 11.7905 13.6192 13.6192 19.1966 19.1966 20.3073 20.3073 k = 0.5238-0.2474 0.4082 ( 1302 PWs) bands (ev): 2.2122 2.2122 4.0098 4.0098 4.6951 4.6951 7.4331 7.4331 7.5338 7.5338 8.4080 8.4080 8.5102 8.5102 8.7353 8.7353 8.9876 8.9876 11.7663 11.7663 13.5772 13.5772 19.3637 19.3637 20.3627 20.3627 k = 0.5179-0.2577 0.4082 ( 1298 PWs) bands (ev): 2.2044 2.2044 4.0007 4.0007 4.7214 4.7214 7.4712 7.4712 7.5321 7.5321 8.4050 8.4050 8.5100 8.5100 8.7031 8.7031 8.9803 8.9803 11.7468 11.7468 13.5450 13.5450 19.5276 19.5276 20.4064 20.4064 k = 0.5119-0.2681 0.4082 ( 1298 PWs) bands (ev): 2.1988 2.1988 3.9942 3.9942 4.7402 4.7402 7.5008 7.5008 7.5314 7.5314 8.4019 8.4019 8.5100 8.5100 8.6783 8.6783 8.9751 8.9751 11.7325 11.7325 13.5223 13.5223 19.6815 19.6815 20.4368 20.4368 k = 0.5060-0.2784 0.4082 ( 1298 PWs) bands (ev): 2.1955 2.1955 3.9902 3.9902 4.7515 4.7515 7.5180 7.5180 7.5329 7.5329 8.3995 8.3995 8.5099 8.5099 8.6626 8.6626 8.9720 8.9720 11.7237 11.7237 13.5088 13.5088 19.8073 19.8073 20.4482 20.4482 k = 0.5000-0.2887 0.4082 ( 1298 PWs) bands (ev): 2.1944 2.1944 3.9889 3.9889 4.7552 4.7552 7.5221 7.5221 7.5352 7.5352 8.3986 8.3986 8.5099 8.5099 8.6572 8.6572 8.9709 8.9709 11.7207 11.7207 13.5043 13.5043 19.8615 19.8615 20.4356 20.4356 Writing output data file Si2Ni.save init_run : 0.13s CPU 0.27s WALL ( 1 calls) electrons : 42.96s CPU 44.17s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 42.95s CPU 44.16s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 389 calls) cegterg : 38.66s CPU 39.63s WALL ( 444 calls) Called by sum_band: Called by *egterg: h_psi : 16.66s CPU 18.39s WALL ( 6992 calls) s_psi : 1.39s CPU 1.47s WALL ( 6992 calls) g_psi : 0.04s CPU 0.05s WALL ( 6159 calls) cdiaghg : 20.18s CPU 19.29s WALL ( 6548 calls) cegterg:over : 1.16s CPU 1.21s WALL ( 6159 calls) cegterg:upda : 0.71s CPU 0.85s WALL ( 6159 calls) cegterg:last : 0.34s CPU 0.44s WALL ( 1272 calls) cdiaghg:chol : 0.96s CPU 0.97s WALL ( 6548 calls) cdiaghg:inve : 0.30s CPU 0.32s WALL ( 6548 calls) cdiaghg:para : 1.16s CPU 1.26s WALL ( 13096 calls) Called by h_psi: h_psi:vloc : 13.38s CPU 14.95s WALL ( 6992 calls) h_psi:vnl : 3.25s CPU 3.41s WALL ( 6992 calls) add_vuspsi : 1.84s CPU 1.91s WALL ( 6992 calls) General routines calbec : 1.40s CPU 1.48s WALL ( 6992 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 12.60s CPU 14.09s WALL ( 438908 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.09s WALL ( 778 calls) Parallel routines fft_scatter : 8.08s CPU 8.87s WALL ( 438931 calls) PWSCF : 0m50.26s CPU 1m 2.80s WALL This run was terminated on: 20:56:44 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=