Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:25:16 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: ./KF.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 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 31 19 5 682 334 55 Max 33 20 6 684 353 59 Sum 1123 703 211 24597 12339 2085 bravais-lattice index = 14 lattice parameter (alat) = 7.1449 a.u. unit-cell volume = 257.9093 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 16.00 number of Kohn-Sham states= 24 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.144865 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 F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 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 F 7.00 18.99840 F( 1.00) K 9.00 39.09830 K( 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= 390 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 2) = ( 0.0084746 -0.0048928 0.0069195), wk = 0.0025641 k( 3) = ( 0.0169491 -0.0097856 0.0138389), wk = 0.0025641 k( 4) = ( 0.0254237 -0.0146784 0.0207584), wk = 0.0025641 k( 5) = ( 0.0338983 -0.0195712 0.0276779), wk = 0.0025641 k( 6) = ( 0.0423729 -0.0244640 0.0345973), wk = 0.0025641 k( 7) = ( 0.0508475 -0.0293568 0.0415168), wk = 0.0025641 k( 8) = ( 0.0593220 -0.0342496 0.0484362), wk = 0.0025641 k( 9) = ( 0.0677966 -0.0391424 0.0553557), wk = 0.0025641 k( 10) = ( 0.0762712 -0.0440352 0.0622752), wk = 0.0025641 k( 11) = ( 0.0847458 -0.0489280 0.0691946), wk = 0.0025641 k( 12) = ( 0.0932203 -0.0538208 0.0761141), wk = 0.0025641 k( 13) = ( 0.1016949 -0.0587136 0.0830336), wk = 0.0025641 k( 14) = ( 0.1101695 -0.0636064 0.0899530), wk = 0.0025641 k( 15) = ( 0.1186441 -0.0684992 0.0968725), wk = 0.0025641 k( 16) = ( 0.1271186 -0.0733920 0.1037919), wk = 0.0025641 k( 17) = ( 0.1355932 -0.0782848 0.1107114), wk = 0.0025641 k( 18) = ( 0.1440678 -0.0831776 0.1176309), wk = 0.0025641 k( 19) = ( 0.1525424 -0.0880704 0.1245503), wk = 0.0025641 k( 20) = ( 0.1610169 -0.0929632 0.1314698), wk = 0.0025641 k( 21) = ( 0.1694915 -0.0978560 0.1383893), wk = 0.0025641 k( 22) = ( 0.1779661 -0.1027488 0.1453087), wk = 0.0025641 k( 23) = ( 0.1864407 -0.1076416 0.1522282), wk = 0.0025641 k( 24) = ( 0.1949153 -0.1125344 0.1591476), wk = 0.0025641 k( 25) = ( 0.2033898 -0.1174272 0.1660671), wk = 0.0025641 k( 26) = ( 0.2118644 -0.1223200 0.1729866), wk = 0.0025641 k( 27) = ( 0.2203390 -0.1272128 0.1799060), wk = 0.0025641 k( 28) = ( 0.2288136 -0.1321056 0.1868255), wk = 0.0025641 k( 29) = ( 0.2372881 -0.1369984 0.1937450), wk = 0.0025641 k( 30) = ( 0.2457627 -0.1418912 0.2006644), wk = 0.0025641 k( 31) = ( 0.2542373 -0.1467840 0.2075839), wk = 0.0025641 k( 32) = ( 0.2627119 -0.1516768 0.2145033), wk = 0.0025641 k( 33) = ( 0.2711864 -0.1565696 0.2214228), wk = 0.0025641 k( 34) = ( 0.2796610 -0.1614624 0.2283423), wk = 0.0025641 k( 35) = ( 0.2881356 -0.1663552 0.2352617), wk = 0.0025641 k( 36) = ( 0.2966102 -0.1712480 0.2421812), wk = 0.0025641 k( 37) = ( 0.3050848 -0.1761408 0.2491007), wk = 0.0025641 k( 38) = ( 0.3135593 -0.1810336 0.2560201), wk = 0.0025641 k( 39) = ( 0.3220339 -0.1859264 0.2629396), wk = 0.0025641 k( 40) = ( 0.3305085 -0.1908192 0.2698590), wk = 0.0025641 k( 41) = ( 0.3389831 -0.1957120 0.2767785), wk = 0.0025641 k( 42) = ( 0.3474576 -0.2006048 0.2836980), wk = 0.0025641 k( 43) = ( 0.3559322 -0.2054976 0.2906174), wk = 0.0025641 k( 44) = ( 0.3644068 -0.2103904 0.2975369), wk = 0.0025641 k( 45) = ( 0.3728814 -0.2152832 0.3044564), wk = 0.0025641 k( 46) = ( 0.3813559 -0.2201759 0.3113758), wk = 0.0025641 k( 47) = ( 0.3898305 -0.2250687 0.3182953), wk = 0.0025641 k( 48) = ( 0.3983051 -0.2299615 0.3252147), wk = 0.0025641 k( 49) = ( 0.4067797 -0.2348543 0.3321342), wk = 0.0025641 k( 50) = ( 0.4152542 -0.2397471 0.3390537), wk = 0.0025641 k( 51) = ( 0.4237288 -0.2446399 0.3459731), wk = 0.0025641 k( 52) = ( 0.4322034 -0.2495327 0.3528926), wk = 0.0025641 k( 53) = ( 0.4406780 -0.2544255 0.3598121), wk = 0.0025641 k( 54) = ( 0.4491525 -0.2593183 0.3667315), wk = 0.0025641 k( 55) = ( 0.4576271 -0.2642111 0.3736510), wk = 0.0025641 k( 56) = ( 0.4661017 -0.2691039 0.3805704), wk = 0.0025641 k( 57) = ( 0.4745763 -0.2739967 0.3874899), wk = 0.0025641 k( 58) = ( 0.4830508 -0.2788895 0.3944094), wk = 0.0025641 k( 59) = ( 0.4915254 -0.2837823 0.4013288), wk = 0.0025641 k( 60) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0025641 k( 61) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0025641 k( 62) = ( 0.5000000 -0.2790526 0.4150524), wk = 0.0025641 k( 63) = ( 0.5000000 -0.2694301 0.4218566), wk = 0.0025641 k( 64) = ( 0.5000000 -0.2598076 0.4286607), wk = 0.0025641 k( 65) = ( 0.5000000 -0.2501851 0.4354648), wk = 0.0025641 k( 66) = ( 0.5000000 -0.2405626 0.4422690), wk = 0.0025641 k( 67) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0025641 k( 68) = ( 0.5000000 -0.2213176 0.4558773), wk = 0.0025641 k( 69) = ( 0.5000000 -0.2116951 0.4626814), wk = 0.0025641 k( 70) = ( 0.5000000 -0.2020726 0.4694855), wk = 0.0025641 k( 71) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0025641 k( 72) = ( 0.5000000 -0.1828276 0.4830938), wk = 0.0025641 k( 73) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0025641 k( 74) = ( 0.5000000 -0.1635826 0.4967021), wk = 0.0025641 k( 75) = ( 0.5000000 -0.1539601 0.5035062), wk = 0.0025641 k( 76) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0025641 k( 77) = ( 0.5000000 -0.1347151 0.5171145), wk = 0.0025641 k( 78) = ( 0.5000000 -0.1250926 0.5239186), wk = 0.0025641 k( 79) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0025641 k( 80) = ( 0.5000000 -0.1058476 0.5375269), wk = 0.0025641 k( 81) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0025641 k( 82) = ( 0.5000000 -0.0866025 0.5511352), wk = 0.0025641 k( 83) = ( 0.5000000 -0.0769800 0.5579393), wk = 0.0025641 k( 84) = ( 0.5000000 -0.0673575 0.5647435), wk = 0.0025641 k( 85) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0025641 k( 86) = ( 0.5000000 -0.0481125 0.5783517), wk = 0.0025641 k( 87) = ( 0.5000000 -0.0384900 0.5851559), wk = 0.0025641 k( 88) = ( 0.5000000 -0.0288675 0.5919600), wk = 0.0025641 k( 89) = ( 0.5000000 -0.0192450 0.5987642), wk = 0.0025641 k( 90) = ( 0.5000000 -0.0096225 0.6055683), wk = 0.0025641 k( 91) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0025641 k( 92) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0025641 k( 93) = ( 0.4940476 0.0103098 0.6123724), wk = 0.0025641 k( 94) = ( 0.4880952 0.0206196 0.6123724), wk = 0.0025641 k( 95) = ( 0.4821429 0.0309295 0.6123724), wk = 0.0025641 k( 96) = ( 0.4761905 0.0412393 0.6123724), wk = 0.0025641 k( 97) = ( 0.4702381 0.0515491 0.6123724), wk = 0.0025641 k( 98) = ( 0.4642857 0.0618590 0.6123724), wk = 0.0025641 k( 99) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0025641 k( 100) = ( 0.4523810 0.0824786 0.6123724), wk = 0.0025641 k( 101) = ( 0.4464286 0.0927884 0.6123724), wk = 0.0025641 k( 102) = ( 0.4404762 0.1030983 0.6123724), wk = 0.0025641 k( 103) = ( 0.4345238 0.1134081 0.6123724), wk = 0.0025641 k( 104) = ( 0.4285714 0.1237179 0.6123724), wk = 0.0025641 k( 105) = ( 0.4226190 0.1340277 0.6123724), wk = 0.0025641 k( 106) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0025641 k( 107) = ( 0.4107143 0.1546474 0.6123724), wk = 0.0025641 k( 108) = ( 0.4047619 0.1649572 0.6123724), wk = 0.0025641 k( 109) = ( 0.3988095 0.1752671 0.6123724), wk = 0.0025641 k( 110) = ( 0.3928571 0.1855769 0.6123724), wk = 0.0025641 k( 111) = ( 0.3869048 0.1958867 0.6123724), wk = 0.0025641 k( 112) = ( 0.3809524 0.2061965 0.6123724), wk = 0.0025641 k( 113) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0025641 k( 114) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0025641 k( 115) = ( 0.3690476 0.2130697 0.6026522), wk = 0.0025641 k( 116) = ( 0.3630952 0.2096331 0.5929320), wk = 0.0025641 k( 117) = ( 0.3571429 0.2061965 0.5832118), wk = 0.0025641 k( 118) = ( 0.3511905 0.2027599 0.5734916), wk = 0.0025641 k( 119) = ( 0.3452381 0.1993233 0.5637714), wk = 0.0025641 k( 120) = ( 0.3392857 0.1958867 0.5540513), wk = 0.0025641 k( 121) = ( 0.3333333 0.1924501 0.5443311), wk = 0.0025641 k( 122) = ( 0.3273810 0.1890135 0.5346109), wk = 0.0025641 k( 123) = ( 0.3214286 0.1855769 0.5248907), wk = 0.0025641 k( 124) = ( 0.3154762 0.1821403 0.5151705), wk = 0.0025641 k( 125) = ( 0.3095238 0.1787037 0.5054503), wk = 0.0025641 k( 126) = ( 0.3035714 0.1752670 0.4957301), wk = 0.0025641 k( 127) = ( 0.2976190 0.1718304 0.4860099), wk = 0.0025641 k( 128) = ( 0.2916667 0.1683938 0.4762897), wk = 0.0025641 k( 129) = ( 0.2857143 0.1649572 0.4665695), wk = 0.0025641 k( 130) = ( 0.2797619 0.1615206 0.4568493), wk = 0.0025641 k( 131) = ( 0.2738095 0.1580840 0.4471291), wk = 0.0025641 k( 132) = ( 0.2678571 0.1546474 0.4374089), wk = 0.0025641 k( 133) = ( 0.2619048 0.1512108 0.4276887), wk = 0.0025641 k( 134) = ( 0.2559524 0.1477742 0.4179685), wk = 0.0025641 k( 135) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0025641 k( 136) = ( 0.2440476 0.1409010 0.3985281), wk = 0.0025641 k( 137) = ( 0.2380952 0.1374644 0.3888079), wk = 0.0025641 k( 138) = ( 0.2321429 0.1340277 0.3790877), wk = 0.0025641 k( 139) = ( 0.2261905 0.1305911 0.3693675), wk = 0.0025641 k( 140) = ( 0.2202381 0.1271545 0.3596473), wk = 0.0025641 k( 141) = ( 0.2142857 0.1237179 0.3499271), wk = 0.0025641 k( 142) = ( 0.2083333 0.1202813 0.3402069), wk = 0.0025641 k( 143) = ( 0.2023810 0.1168447 0.3304867), wk = 0.0025641 k( 144) = ( 0.1964286 0.1134081 0.3207665), wk = 0.0025641 k( 145) = ( 0.1904762 0.1099715 0.3110463), wk = 0.0025641 k( 146) = ( 0.1845238 0.1065349 0.3013261), wk = 0.0025641 k( 147) = ( 0.1785714 0.1030983 0.2916059), wk = 0.0025641 k( 148) = ( 0.1726190 0.0996617 0.2818857), wk = 0.0025641 k( 149) = ( 0.1666667 0.0962250 0.2721655), wk = 0.0025641 k( 150) = ( 0.1607143 0.0927884 0.2624453), wk = 0.0025641 k( 151) = ( 0.1547619 0.0893518 0.2527251), wk = 0.0025641 k( 152) = ( 0.1488095 0.0859152 0.2430049), wk = 0.0025641 k( 153) = ( 0.1428571 0.0824786 0.2332847), wk = 0.0025641 k( 154) = ( 0.1369048 0.0790420 0.2235645), wk = 0.0025641 k( 155) = ( 0.1309524 0.0756054 0.2138443), wk = 0.0025641 k( 156) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0025641 k( 157) = ( 0.1190476 0.0687322 0.1944039), wk = 0.0025641 k( 158) = ( 0.1130952 0.0652956 0.1846838), wk = 0.0025641 k( 159) = ( 0.1071429 0.0618590 0.1749635), wk = 0.0025641 k( 160) = ( 0.1011905 0.0584224 0.1652433), wk = 0.0025641 k( 161) = ( 0.0952381 0.0549857 0.1555232), wk = 0.0025641 k( 162) = ( 0.0892857 0.0515491 0.1458030), wk = 0.0025641 k( 163) = ( 0.0833333 0.0481125 0.1360828), wk = 0.0025641 k( 164) = ( 0.0773810 0.0446759 0.1263626), wk = 0.0025641 k( 165) = ( 0.0714286 0.0412393 0.1166424), wk = 0.0025641 k( 166) = ( 0.0654762 0.0378027 0.1069222), wk = 0.0025641 k( 167) = ( 0.0595238 0.0343661 0.0972020), wk = 0.0025641 k( 168) = ( 0.0535714 0.0309295 0.0874818), wk = 0.0025641 k( 169) = ( 0.0476191 0.0274929 0.0777616), wk = 0.0025641 k( 170) = ( 0.0416667 0.0240563 0.0680414), wk = 0.0025641 k( 171) = ( 0.0357143 0.0206197 0.0583212), wk = 0.0025641 k( 172) = ( 0.0297619 0.0171830 0.0486010), wk = 0.0025641 k( 173) = ( 0.0238095 0.0137464 0.0388808), wk = 0.0025641 k( 174) = ( 0.0178571 0.0103098 0.0291606), wk = 0.0025641 k( 175) = ( 0.0119048 0.0068732 0.0194404), wk = 0.0025641 k( 176) = ( 0.0059524 0.0034366 0.0097202), wk = 0.0025641 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 178) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 179) = ( 0.0098039 0.0056603 0.0040024), wk = 0.0025641 k( 180) = ( 0.0196078 0.0113206 0.0080049), wk = 0.0025641 k( 181) = ( 0.0294118 0.0169809 0.0120073), wk = 0.0025641 k( 182) = ( 0.0392157 0.0226412 0.0160097), wk = 0.0025641 k( 183) = ( 0.0490196 0.0283015 0.0200122), wk = 0.0025641 k( 184) = ( 0.0588235 0.0339618 0.0240146), wk = 0.0025641 k( 185) = ( 0.0686275 0.0396221 0.0280170), wk = 0.0025641 k( 186) = ( 0.0784314 0.0452824 0.0320195), wk = 0.0025641 k( 187) = ( 0.0882353 0.0509427 0.0360219), wk = 0.0025641 k( 188) = ( 0.0980392 0.0566030 0.0400243), wk = 0.0025641 k( 189) = ( 0.1078431 0.0622633 0.0440268), wk = 0.0025641 k( 190) = ( 0.1176471 0.0679236 0.0480292), wk = 0.0025641 k( 191) = ( 0.1274510 0.0735839 0.0520316), wk = 0.0025641 k( 192) = ( 0.1372549 0.0792442 0.0560341), wk = 0.0025641 k( 193) = ( 0.1470588 0.0849044 0.0600365), wk = 0.0025641 k( 194) = ( 0.1568627 0.0905648 0.0640389), wk = 0.0025641 k( 195) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0025641 k( 196) = ( 0.1764706 0.1018853 0.0720438), wk = 0.0025641 k( 197) = ( 0.1862745 0.1075456 0.0760463), wk = 0.0025641 k( 198) = ( 0.1960784 0.1132059 0.0800487), wk = 0.0025641 k( 199) = ( 0.2058823 0.1188662 0.0840511), wk = 0.0025641 k( 200) = ( 0.2156863 0.1245265 0.0880536), wk = 0.0025641 k( 201) = ( 0.2254902 0.1301868 0.0920560), wk = 0.0025641 k( 202) = ( 0.2352941 0.1358471 0.0960584), wk = 0.0025641 k( 203) = ( 0.2450980 0.1415074 0.1000609), wk = 0.0025641 k( 204) = ( 0.2549020 0.1471677 0.1040633), wk = 0.0025641 k( 205) = ( 0.2647059 0.1528280 0.1080657), wk = 0.0025641 k( 206) = ( 0.2745098 0.1584883 0.1120682), wk = 0.0025641 k( 207) = ( 0.2843137 0.1641486 0.1160706), wk = 0.0025641 k( 208) = ( 0.2941177 0.1698089 0.1200730), wk = 0.0025641 k( 209) = ( 0.3039216 0.1754692 0.1240755), wk = 0.0025641 k( 210) = ( 0.3137255 0.1811295 0.1280779), wk = 0.0025641 k( 211) = ( 0.3235294 0.1867898 0.1320803), wk = 0.0025641 k( 212) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0025641 k( 213) = ( 0.3431373 0.1981104 0.1400852), wk = 0.0025641 k( 214) = ( 0.3529412 0.2037707 0.1440876), wk = 0.0025641 k( 215) = ( 0.3627451 0.2094310 0.1480901), wk = 0.0025641 k( 216) = ( 0.3725490 0.2150913 0.1520925), wk = 0.0025641 k( 217) = ( 0.3823529 0.2207516 0.1560949), wk = 0.0025641 k( 218) = ( 0.3921569 0.2264119 0.1600974), wk = 0.0025641 k( 219) = ( 0.4019608 0.2320722 0.1640998), wk = 0.0025641 k( 220) = ( 0.4117647 0.2377325 0.1681022), wk = 0.0025641 k( 221) = ( 0.4215686 0.2433928 0.1721047), wk = 0.0025641 k( 222) = ( 0.4313726 0.2490531 0.1761071), wk = 0.0025641 k( 223) = ( 0.4411765 0.2547134 0.1801095), wk = 0.0025641 k( 224) = ( 0.4509804 0.2603736 0.1841120), wk = 0.0025641 k( 225) = ( 0.4607843 0.2660339 0.1881144), wk = 0.0025641 k( 226) = ( 0.4705882 0.2716942 0.1921168), wk = 0.0025641 k( 227) = ( 0.4803922 0.2773545 0.1961193), wk = 0.0025641 k( 228) = ( 0.4901961 0.2830148 0.2001217), wk = 0.0025641 k( 229) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0025641 k( 230) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0025641 k( 231) = ( 0.5034722 0.2786517 0.2097943), wk = 0.0025641 k( 232) = ( 0.5069444 0.2686283 0.2154644), wk = 0.0025641 k( 233) = ( 0.5104167 0.2586048 0.2211345), wk = 0.0025641 k( 234) = ( 0.5138889 0.2485814 0.2268046), wk = 0.0025641 k( 235) = ( 0.5173611 0.2385579 0.2324747), wk = 0.0025641 k( 236) = ( 0.5208333 0.2285345 0.2381448), wk = 0.0025641 k( 237) = ( 0.5243056 0.2185110 0.2438150), wk = 0.0025641 k( 238) = ( 0.5277778 0.2084876 0.2494851), wk = 0.0025641 k( 239) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0025641 k( 240) = ( 0.5347222 0.1884407 0.2608253), wk = 0.0025641 k( 241) = ( 0.5381944 0.1784173 0.2664954), wk = 0.0025641 k( 242) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0025641 k( 243) = ( 0.5451389 0.1583704 0.2778356), wk = 0.0025641 k( 244) = ( 0.5486111 0.1483469 0.2835058), wk = 0.0025641 k( 245) = ( 0.5520833 0.1383235 0.2891759), wk = 0.0025641 k( 246) = ( 0.5555556 0.1283001 0.2948460), wk = 0.0025641 k( 247) = ( 0.5590278 0.1182766 0.3005161), wk = 0.0025641 k( 248) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0025641 k( 249) = ( 0.5659722 0.0982297 0.3118563), wk = 0.0025641 k( 250) = ( 0.5694444 0.0882063 0.3175264), wk = 0.0025641 k( 251) = ( 0.5729167 0.0781829 0.3231966), wk = 0.0025641 k( 252) = ( 0.5763889 0.0681594 0.3288667), wk = 0.0025641 k( 253) = ( 0.5798611 0.0581360 0.3345368), wk = 0.0025641 k( 254) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0025641 k( 255) = ( 0.5868056 0.0380891 0.3458770), wk = 0.0025641 k( 256) = ( 0.5902778 0.0280656 0.3515471), wk = 0.0025641 k( 257) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0025641 k( 258) = ( 0.5972222 0.0080188 0.3628874), wk = 0.0025641 k( 259) = ( 0.6006944 -0.0020047 0.3685575), wk = 0.0025641 k( 260) = ( 0.6041667 -0.0120281 0.3742276), wk = 0.0025641 k( 261) = ( 0.6076389 -0.0220516 0.3798977), wk = 0.0025641 k( 262) = ( 0.6111111 -0.0320750 0.3855678), wk = 0.0025641 k( 263) = ( 0.6145833 -0.0420985 0.3912379), wk = 0.0025641 k( 264) = ( 0.6180556 -0.0521219 0.3969081), wk = 0.0025641 k( 265) = ( 0.6215278 -0.0621453 0.4025782), wk = 0.0025641 k( 266) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0025641 k( 267) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0025641 k( 268) = ( 0.6190476 -0.0687322 0.4179685), wk = 0.0025641 k( 269) = ( 0.6130952 -0.0652956 0.4276887), wk = 0.0025641 k( 270) = ( 0.6071429 -0.0618590 0.4374089), wk = 0.0025641 k( 271) = ( 0.6011905 -0.0584224 0.4471291), wk = 0.0025641 k( 272) = ( 0.5952381 -0.0549857 0.4568493), wk = 0.0025641 k( 273) = ( 0.5892857 -0.0515491 0.4665695), wk = 0.0025641 k( 274) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0025641 k( 275) = ( 0.5773810 -0.0446759 0.4860099), wk = 0.0025641 k( 276) = ( 0.5714286 -0.0412393 0.4957301), wk = 0.0025641 k( 277) = ( 0.5654762 -0.0378027 0.5054503), wk = 0.0025641 k( 278) = ( 0.5595238 -0.0343661 0.5151705), wk = 0.0025641 k( 279) = ( 0.5535714 -0.0309295 0.5248907), wk = 0.0025641 k( 280) = ( 0.5476190 -0.0274929 0.5346109), wk = 0.0025641 k( 281) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0025641 k( 282) = ( 0.5357143 -0.0206197 0.5540512), wk = 0.0025641 k( 283) = ( 0.5297619 -0.0171830 0.5637715), wk = 0.0025641 k( 284) = ( 0.5238095 -0.0137464 0.5734917), wk = 0.0025641 k( 285) = ( 0.5178571 -0.0103098 0.5832118), wk = 0.0025641 k( 286) = ( 0.5119048 -0.0068732 0.5929320), wk = 0.0025641 k( 287) = ( 0.5059524 -0.0034366 0.6026522), wk = 0.0025641 k( 288) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0025641 k( 289) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0025641 k( 290) = ( 0.5000000 0.0068732 0.6026522), wk = 0.0025641 k( 291) = ( 0.5000000 0.0137464 0.5929320), wk = 0.0025641 k( 292) = ( 0.5000000 0.0206196 0.5832118), wk = 0.0025641 k( 293) = ( 0.5000000 0.0274929 0.5734917), wk = 0.0025641 k( 294) = ( 0.5000000 0.0343661 0.5637715), wk = 0.0025641 k( 295) = ( 0.5000000 0.0412393 0.5540512), wk = 0.0025641 k( 296) = ( 0.5000000 0.0481125 0.5443310), wk = 0.0025641 k( 297) = ( 0.5000000 0.0549857 0.5346109), wk = 0.0025641 k( 298) = ( 0.5000000 0.0618590 0.5248907), wk = 0.0025641 k( 299) = ( 0.5000000 0.0687322 0.5151705), wk = 0.0025641 k( 300) = ( 0.5000000 0.0756054 0.5054503), wk = 0.0025641 k( 301) = ( 0.5000000 0.0824786 0.4957301), wk = 0.0025641 k( 302) = ( 0.5000000 0.0893518 0.4860099), wk = 0.0025641 k( 303) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0025641 k( 304) = ( 0.5000000 0.1030983 0.4665695), wk = 0.0025641 k( 305) = ( 0.5000000 0.1099715 0.4568493), wk = 0.0025641 k( 306) = ( 0.5000000 0.1168447 0.4471291), wk = 0.0025641 k( 307) = ( 0.5000000 0.1237179 0.4374089), wk = 0.0025641 k( 308) = ( 0.5000000 0.1305911 0.4276887), wk = 0.0025641 k( 309) = ( 0.5000000 0.1374644 0.4179685), wk = 0.0025641 k( 310) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0025641 k( 311) = ( 0.5000000 0.1512108 0.3985281), wk = 0.0025641 k( 312) = ( 0.5000000 0.1580840 0.3888079), wk = 0.0025641 k( 313) = ( 0.5000000 0.1649572 0.3790877), wk = 0.0025641 k( 314) = ( 0.5000000 0.1718304 0.3693675), wk = 0.0025641 k( 315) = ( 0.5000000 0.1787036 0.3596473), wk = 0.0025641 k( 316) = ( 0.5000000 0.1855769 0.3499271), wk = 0.0025641 k( 317) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0025641 k( 318) = ( 0.5000000 0.1993233 0.3304867), wk = 0.0025641 k( 319) = ( 0.5000000 0.2061965 0.3207665), wk = 0.0025641 k( 320) = ( 0.5000000 0.2130697 0.3110463), wk = 0.0025641 k( 321) = ( 0.5000000 0.2199430 0.3013261), wk = 0.0025641 k( 322) = ( 0.5000000 0.2268162 0.2916059), wk = 0.0025641 k( 323) = ( 0.5000000 0.2336894 0.2818857), wk = 0.0025641 k( 324) = ( 0.5000000 0.2405626 0.2721655), wk = 0.0025641 k( 325) = ( 0.5000000 0.2474358 0.2624453), wk = 0.0025641 k( 326) = ( 0.5000000 0.2543091 0.2527251), wk = 0.0025641 k( 327) = ( 0.5000000 0.2611823 0.2430049), wk = 0.0025641 k( 328) = ( 0.5000000 0.2680555 0.2332847), wk = 0.0025641 k( 329) = ( 0.5000000 0.2749287 0.2235645), wk = 0.0025641 k( 330) = ( 0.5000000 0.2818019 0.2138443), wk = 0.0025641 k( 331) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0025641 k( 332) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0025641 k( 333) = ( 0.4965278 0.2866704 0.2154644), wk = 0.0025641 k( 334) = ( 0.4930556 0.2846658 0.2268046), wk = 0.0025641 k( 335) = ( 0.4895833 0.2826611 0.2381448), wk = 0.0025641 k( 336) = ( 0.4861111 0.2806564 0.2494851), wk = 0.0025641 k( 337) = ( 0.4826389 0.2786517 0.2608253), wk = 0.0025641 k( 338) = ( 0.4791667 0.2766470 0.2721655), wk = 0.0025641 k( 339) = ( 0.4756944 0.2746423 0.2835058), wk = 0.0025641 k( 340) = ( 0.4722222 0.2726376 0.2948460), wk = 0.0025641 k( 341) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0025641 k( 342) = ( 0.4652778 0.2686283 0.3175264), wk = 0.0025641 k( 343) = ( 0.4618056 0.2666236 0.3288667), wk = 0.0025641 k( 344) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0025641 k( 345) = ( 0.4548611 0.2626142 0.3515471), wk = 0.0025641 k( 346) = ( 0.4513889 0.2606095 0.3628874), wk = 0.0025641 k( 347) = ( 0.4479167 0.2586048 0.3742276), wk = 0.0025641 k( 348) = ( 0.4444444 0.2566001 0.3855678), wk = 0.0025641 k( 349) = ( 0.4409722 0.2545954 0.3969081), wk = 0.0025641 k( 350) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0025641 k( 351) = ( 0.4340278 0.2505861 0.4195885), wk = 0.0025641 k( 352) = ( 0.4305556 0.2485814 0.4309287), wk = 0.0025641 k( 353) = ( 0.4270833 0.2465767 0.4422690), wk = 0.0025641 k( 354) = ( 0.4236111 0.2445720 0.4536092), wk = 0.0025641 k( 355) = ( 0.4201389 0.2425673 0.4649494), wk = 0.0025641 k( 356) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0025641 k( 357) = ( 0.4131944 0.2385579 0.4876299), wk = 0.0025641 k( 358) = ( 0.4097222 0.2365532 0.4989701), wk = 0.0025641 k( 359) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0025641 k( 360) = ( 0.4027778 0.2325439 0.5216506), wk = 0.0025641 k( 361) = ( 0.3993056 0.2305392 0.5329908), wk = 0.0025641 k( 362) = ( 0.3958333 0.2285345 0.5443311), wk = 0.0025641 k( 363) = ( 0.3923611 0.2265298 0.5556713), wk = 0.0025641 k( 364) = ( 0.3888889 0.2245251 0.5670115), wk = 0.0025641 k( 365) = ( 0.3854167 0.2225204 0.5783517), wk = 0.0025641 k( 366) = ( 0.3819444 0.2205157 0.5896920), wk = 0.0025641 k( 367) = ( 0.3784722 0.2185110 0.6010322), wk = 0.0025641 k( 368) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0025641 k( 369) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0025641 k( 370) = ( 0.6190476 -0.0824786 0.4082483), wk = 0.0025641 k( 371) = ( 0.6130952 -0.0927884 0.4082483), wk = 0.0025641 k( 372) = ( 0.6071429 -0.1030983 0.4082483), wk = 0.0025641 k( 373) = ( 0.6011905 -0.1134081 0.4082483), wk = 0.0025641 k( 374) = ( 0.5952381 -0.1237179 0.4082483), wk = 0.0025641 k( 375) = ( 0.5892857 -0.1340277 0.4082483), wk = 0.0025641 k( 376) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0025641 k( 377) = ( 0.5773810 -0.1546474 0.4082483), wk = 0.0025641 k( 378) = ( 0.5714286 -0.1649572 0.4082483), wk = 0.0025641 k( 379) = ( 0.5654762 -0.1752670 0.4082483), wk = 0.0025641 k( 380) = ( 0.5595238 -0.1855769 0.4082483), wk = 0.0025641 k( 381) = ( 0.5535714 -0.1958867 0.4082483), wk = 0.0025641 k( 382) = ( 0.5476190 -0.2061965 0.4082483), wk = 0.0025641 k( 383) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0025641 k( 384) = ( 0.5357143 -0.2268162 0.4082483), wk = 0.0025641 k( 385) = ( 0.5297619 -0.2371260 0.4082483), wk = 0.0025641 k( 386) = ( 0.5238095 -0.2474358 0.4082483), wk = 0.0025641 k( 387) = ( 0.5178571 -0.2577456 0.4082483), wk = 0.0025641 k( 388) = ( 0.5119048 -0.2680555 0.4082483), wk = 0.0025641 k( 389) = ( 0.5059524 -0.2783653 0.4082483), wk = 0.0025641 k( 390) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0025641 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 2) = ( 0.0084746 0.0000000 0.0084746), wk = 0.0025641 k( 3) = ( 0.0169491 -0.0000000 0.0169491), wk = 0.0025641 k( 4) = ( 0.0254237 -0.0000000 0.0254237), wk = 0.0025641 k( 5) = ( 0.0338983 -0.0000000 0.0338983), wk = 0.0025641 k( 6) = ( 0.0423729 -0.0000000 0.0423729), wk = 0.0025641 k( 7) = ( 0.0508475 -0.0000000 0.0508475), wk = 0.0025641 k( 8) = ( 0.0593220 -0.0000000 0.0593220), wk = 0.0025641 k( 9) = ( 0.0677966 -0.0000000 0.0677966), wk = 0.0025641 k( 10) = ( 0.0762712 0.0000000 0.0762712), wk = 0.0025641 k( 11) = ( 0.0847458 -0.0000000 0.0847458), wk = 0.0025641 k( 12) = ( 0.0932203 -0.0000000 0.0932203), wk = 0.0025641 k( 13) = ( 0.1016949 -0.0000000 0.1016949), wk = 0.0025641 k( 14) = ( 0.1101695 -0.0000000 0.1101695), wk = 0.0025641 k( 15) = ( 0.1186441 -0.0000000 0.1186441), wk = 0.0025641 k( 16) = ( 0.1271186 0.0000000 0.1271186), wk = 0.0025641 k( 17) = ( 0.1355932 -0.0000000 0.1355932), wk = 0.0025641 k( 18) = ( 0.1440678 -0.0000000 0.1440678), wk = 0.0025641 k( 19) = ( 0.1525424 0.0000000 0.1525424), wk = 0.0025641 k( 20) = ( 0.1610169 0.0000000 0.1610169), wk = 0.0025641 k( 21) = ( 0.1694915 -0.0000000 0.1694915), wk = 0.0025641 k( 22) = ( 0.1779661 -0.0000000 0.1779661), wk = 0.0025641 k( 23) = ( 0.1864407 -0.0000000 0.1864407), wk = 0.0025641 k( 24) = ( 0.1949153 -0.0000000 0.1949153), wk = 0.0025641 k( 25) = ( 0.2033898 -0.0000000 0.2033898), wk = 0.0025641 k( 26) = ( 0.2118644 -0.0000000 0.2118644), wk = 0.0025641 k( 27) = ( 0.2203390 -0.0000000 0.2203390), wk = 0.0025641 k( 28) = ( 0.2288136 -0.0000000 0.2288136), wk = 0.0025641 k( 29) = ( 0.2372881 -0.0000000 0.2372881), wk = 0.0025641 k( 30) = ( 0.2457627 -0.0000000 0.2457627), wk = 0.0025641 k( 31) = ( 0.2542373 0.0000000 0.2542373), wk = 0.0025641 k( 32) = ( 0.2627119 0.0000000 0.2627119), wk = 0.0025641 k( 33) = ( 0.2711864 -0.0000000 0.2711864), wk = 0.0025641 k( 34) = ( 0.2796610 0.0000000 0.2796610), wk = 0.0025641 k( 35) = ( 0.2881356 0.0000000 0.2881356), wk = 0.0025641 k( 36) = ( 0.2966102 0.0000000 0.2966102), wk = 0.0025641 k( 37) = ( 0.3050848 -0.0000000 0.3050848), wk = 0.0025641 k( 38) = ( 0.3135593 -0.0000000 0.3135593), wk = 0.0025641 k( 39) = ( 0.3220339 0.0000000 0.3220339), wk = 0.0025641 k( 40) = ( 0.3305085 -0.0000000 0.3305085), wk = 0.0025641 k( 41) = ( 0.3389831 0.0000000 0.3389831), wk = 0.0025641 k( 42) = ( 0.3474576 -0.0000000 0.3474576), wk = 0.0025641 k( 43) = ( 0.3559322 -0.0000000 0.3559322), wk = 0.0025641 k( 44) = ( 0.3644068 -0.0000000 0.3644068), wk = 0.0025641 k( 45) = ( 0.3728814 -0.0000000 0.3728814), wk = 0.0025641 k( 46) = ( 0.3813559 -0.0000000 0.3813559), wk = 0.0025641 k( 47) = ( 0.3898305 -0.0000000 0.3898305), wk = 0.0025641 k( 48) = ( 0.3983051 -0.0000000 0.3983051), wk = 0.0025641 k( 49) = ( 0.4067797 -0.0000000 0.4067797), wk = 0.0025641 k( 50) = ( 0.4152542 -0.0000000 0.4152542), wk = 0.0025641 k( 51) = ( 0.4237288 -0.0000000 0.4237288), wk = 0.0025641 k( 52) = ( 0.4322034 -0.0000000 0.4322034), wk = 0.0025641 k( 53) = ( 0.4406780 0.0000000 0.4406780), wk = 0.0025641 k( 54) = ( 0.4491525 -0.0000000 0.4491525), wk = 0.0025641 k( 55) = ( 0.4576271 -0.0000000 0.4576271), wk = 0.0025641 k( 56) = ( 0.4661017 0.0000000 0.4661017), wk = 0.0025641 k( 57) = ( 0.4745763 -0.0000000 0.4745763), wk = 0.0025641 k( 58) = ( 0.4830508 -0.0000000 0.4830509), wk = 0.0025641 k( 59) = ( 0.4915254 -0.0000000 0.4915254), wk = 0.0025641 k( 60) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025641 k( 61) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025641 k( 62) = ( 0.5000000 0.0083333 0.5083333), wk = 0.0025641 k( 63) = ( 0.5000000 0.0166667 0.5166667), wk = 0.0025641 k( 64) = ( 0.5000000 0.0250000 0.5250000), wk = 0.0025641 k( 65) = ( 0.5000000 0.0333333 0.5333333), wk = 0.0025641 k( 66) = ( 0.5000000 0.0416667 0.5416667), wk = 0.0025641 k( 67) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0025641 k( 68) = ( 0.5000000 0.0583333 0.5583333), wk = 0.0025641 k( 69) = ( 0.5000000 0.0666667 0.5666667), wk = 0.0025641 k( 70) = ( 0.5000000 0.0750000 0.5750000), wk = 0.0025641 k( 71) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0025641 k( 72) = ( 0.5000000 0.0916667 0.5916667), wk = 0.0025641 k( 73) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0025641 k( 74) = ( 0.5000000 0.1083333 0.6083333), wk = 0.0025641 k( 75) = ( 0.5000000 0.1166667 0.6166667), wk = 0.0025641 k( 76) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0025641 k( 77) = ( 0.5000000 0.1333333 0.6333333), wk = 0.0025641 k( 78) = ( 0.5000000 0.1416667 0.6416667), wk = 0.0025641 k( 79) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0025641 k( 80) = ( 0.5000000 0.1583333 0.6583333), wk = 0.0025641 k( 81) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0025641 k( 82) = ( 0.5000000 0.1750000 0.6750000), wk = 0.0025641 k( 83) = ( 0.5000000 0.1833333 0.6833333), wk = 0.0025641 k( 84) = ( 0.5000000 0.1916667 0.6916667), wk = 0.0025641 k( 85) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0025641 k( 86) = ( 0.5000000 0.2083333 0.7083333), wk = 0.0025641 k( 87) = ( 0.5000000 0.2166667 0.7166667), wk = 0.0025641 k( 88) = ( 0.5000000 0.2250000 0.7250000), wk = 0.0025641 k( 89) = ( 0.5000000 0.2333333 0.7333333), wk = 0.0025641 k( 90) = ( 0.5000000 0.2416667 0.7416667), wk = 0.0025641 k( 91) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0025641 k( 92) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0025641 k( 93) = ( 0.4940476 0.2559524 0.7500000), wk = 0.0025641 k( 94) = ( 0.4880952 0.2619048 0.7500000), wk = 0.0025641 k( 95) = ( 0.4821429 0.2678571 0.7500000), wk = 0.0025641 k( 96) = ( 0.4761905 0.2738095 0.7500000), wk = 0.0025641 k( 97) = ( 0.4702381 0.2797619 0.7500000), wk = 0.0025641 k( 98) = ( 0.4642857 0.2857143 0.7500000), wk = 0.0025641 k( 99) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0025641 k( 100) = ( 0.4523810 0.2976190 0.7500000), wk = 0.0025641 k( 101) = ( 0.4464286 0.3035714 0.7500000), wk = 0.0025641 k( 102) = ( 0.4404762 0.3095238 0.7500000), wk = 0.0025641 k( 103) = ( 0.4345238 0.3154762 0.7500000), wk = 0.0025641 k( 104) = ( 0.4285714 0.3214286 0.7500000), wk = 0.0025641 k( 105) = ( 0.4226190 0.3273810 0.7500000), wk = 0.0025641 k( 106) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0025641 k( 107) = ( 0.4107143 0.3392857 0.7500000), wk = 0.0025641 k( 108) = ( 0.4047619 0.3452381 0.7500000), wk = 0.0025641 k( 109) = ( 0.3988095 0.3511905 0.7500000), wk = 0.0025641 k( 110) = ( 0.3928571 0.3571429 0.7500000), wk = 0.0025641 k( 111) = ( 0.3869048 0.3630952 0.7500000), wk = 0.0025641 k( 112) = ( 0.3809524 0.3690476 0.7500000), wk = 0.0025641 k( 113) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0025641 k( 114) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0025641 k( 115) = ( 0.3690476 0.3690476 0.7380952), wk = 0.0025641 k( 116) = ( 0.3630952 0.3630952 0.7261905), wk = 0.0025641 k( 117) = ( 0.3571429 0.3571429 0.7142857), wk = 0.0025641 k( 118) = ( 0.3511905 0.3511905 0.7023810), wk = 0.0025641 k( 119) = ( 0.3452381 0.3452381 0.6904762), wk = 0.0025641 k( 120) = ( 0.3392857 0.3392857 0.6785714), wk = 0.0025641 k( 121) = ( 0.3333333 0.3333333 0.6666667), wk = 0.0025641 k( 122) = ( 0.3273810 0.3273810 0.6547619), wk = 0.0025641 k( 123) = ( 0.3214286 0.3214286 0.6428571), wk = 0.0025641 k( 124) = ( 0.3154762 0.3154762 0.6309524), wk = 0.0025641 k( 125) = ( 0.3095238 0.3095238 0.6190476), wk = 0.0025641 k( 126) = ( 0.3035714 0.3035714 0.6071429), wk = 0.0025641 k( 127) = ( 0.2976190 0.2976190 0.5952381), wk = 0.0025641 k( 128) = ( 0.2916667 0.2916667 0.5833333), wk = 0.0025641 k( 129) = ( 0.2857143 0.2857143 0.5714286), wk = 0.0025641 k( 130) = ( 0.2797619 0.2797619 0.5595238), wk = 0.0025641 k( 131) = ( 0.2738095 0.2738095 0.5476190), wk = 0.0025641 k( 132) = ( 0.2678571 0.2678571 0.5357143), wk = 0.0025641 k( 133) = ( 0.2619048 0.2619048 0.5238095), wk = 0.0025641 k( 134) = ( 0.2559524 0.2559524 0.5119048), wk = 0.0025641 k( 135) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0025641 k( 136) = ( 0.2440476 0.2440476 0.4880952), wk = 0.0025641 k( 137) = ( 0.2380952 0.2380952 0.4761905), wk = 0.0025641 k( 138) = ( 0.2321429 0.2321429 0.4642857), wk = 0.0025641 k( 139) = ( 0.2261905 0.2261905 0.4523810), wk = 0.0025641 k( 140) = ( 0.2202381 0.2202381 0.4404762), wk = 0.0025641 k( 141) = ( 0.2142857 0.2142857 0.4285714), wk = 0.0025641 k( 142) = ( 0.2083333 0.2083333 0.4166667), wk = 0.0025641 k( 143) = ( 0.2023810 0.2023810 0.4047619), wk = 0.0025641 k( 144) = ( 0.1964286 0.1964286 0.3928571), wk = 0.0025641 k( 145) = ( 0.1904762 0.1904762 0.3809524), wk = 0.0025641 k( 146) = ( 0.1845238 0.1845238 0.3690476), wk = 0.0025641 k( 147) = ( 0.1785714 0.1785714 0.3571429), wk = 0.0025641 k( 148) = ( 0.1726190 0.1726191 0.3452381), wk = 0.0025641 k( 149) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0025641 k( 150) = ( 0.1607143 0.1607143 0.3214286), wk = 0.0025641 k( 151) = ( 0.1547619 0.1547619 0.3095238), wk = 0.0025641 k( 152) = ( 0.1488095 0.1488095 0.2976190), wk = 0.0025641 k( 153) = ( 0.1428571 0.1428571 0.2857143), wk = 0.0025641 k( 154) = ( 0.1369048 0.1369048 0.2738095), wk = 0.0025641 k( 155) = ( 0.1309524 0.1309524 0.2619048), wk = 0.0025641 k( 156) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0025641 k( 157) = ( 0.1190476 0.1190476 0.2380952), wk = 0.0025641 k( 158) = ( 0.1130952 0.1130952 0.2261905), wk = 0.0025641 k( 159) = ( 0.1071429 0.1071429 0.2142857), wk = 0.0025641 k( 160) = ( 0.1011905 0.1011905 0.2023810), wk = 0.0025641 k( 161) = ( 0.0952381 0.0952381 0.1904762), wk = 0.0025641 k( 162) = ( 0.0892857 0.0892857 0.1785714), wk = 0.0025641 k( 163) = ( 0.0833333 0.0833333 0.1666667), wk = 0.0025641 k( 164) = ( 0.0773810 0.0773810 0.1547619), wk = 0.0025641 k( 165) = ( 0.0714286 0.0714286 0.1428571), wk = 0.0025641 k( 166) = ( 0.0654762 0.0654762 0.1309524), wk = 0.0025641 k( 167) = ( 0.0595238 0.0595238 0.1190476), wk = 0.0025641 k( 168) = ( 0.0535714 0.0535714 0.1071429), wk = 0.0025641 k( 169) = ( 0.0476191 0.0476191 0.0952381), wk = 0.0025641 k( 170) = ( 0.0416667 0.0416667 0.0833333), wk = 0.0025641 k( 171) = ( 0.0357143 0.0357143 0.0714286), wk = 0.0025641 k( 172) = ( 0.0297619 0.0297619 0.0595238), wk = 0.0025641 k( 173) = ( 0.0238095 0.0238095 0.0476191), wk = 0.0025641 k( 174) = ( 0.0178571 0.0178571 0.0357143), wk = 0.0025641 k( 175) = ( 0.0119048 0.0119048 0.0238095), wk = 0.0025641 k( 176) = ( 0.0059524 0.0059524 0.0119048), wk = 0.0025641 k( 177) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 178) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 179) = ( 0.0098039 0.0098039 0.0098039), wk = 0.0025641 k( 180) = ( 0.0196078 0.0196078 0.0196078), wk = 0.0025641 k( 181) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0025641 k( 182) = ( 0.0392157 0.0392157 0.0392157), wk = 0.0025641 k( 183) = ( 0.0490196 0.0490196 0.0490196), wk = 0.0025641 k( 184) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0025641 k( 185) = ( 0.0686275 0.0686275 0.0686275), wk = 0.0025641 k( 186) = ( 0.0784314 0.0784314 0.0784314), wk = 0.0025641 k( 187) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0025641 k( 188) = ( 0.0980392 0.0980392 0.0980392), wk = 0.0025641 k( 189) = ( 0.1078431 0.1078431 0.1078431), wk = 0.0025641 k( 190) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0025641 k( 191) = ( 0.1274510 0.1274510 0.1274510), wk = 0.0025641 k( 192) = ( 0.1372549 0.1372549 0.1372549), wk = 0.0025641 k( 193) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0025641 k( 194) = ( 0.1568627 0.1568627 0.1568628), wk = 0.0025641 k( 195) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0025641 k( 196) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0025641 k( 197) = ( 0.1862745 0.1862745 0.1862745), wk = 0.0025641 k( 198) = ( 0.1960784 0.1960784 0.1960784), wk = 0.0025641 k( 199) = ( 0.2058823 0.2058823 0.2058824), wk = 0.0025641 k( 200) = ( 0.2156863 0.2156863 0.2156863), wk = 0.0025641 k( 201) = ( 0.2254902 0.2254902 0.2254902), wk = 0.0025641 k( 202) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0025641 k( 203) = ( 0.2450980 0.2450980 0.2450980), wk = 0.0025641 k( 204) = ( 0.2549020 0.2549020 0.2549020), wk = 0.0025641 k( 205) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0025641 k( 206) = ( 0.2745098 0.2745098 0.2745098), wk = 0.0025641 k( 207) = ( 0.2843137 0.2843137 0.2843137), wk = 0.0025641 k( 208) = ( 0.2941177 0.2941177 0.2941177), wk = 0.0025641 k( 209) = ( 0.3039216 0.3039216 0.3039216), wk = 0.0025641 k( 210) = ( 0.3137255 0.3137255 0.3137255), wk = 0.0025641 k( 211) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0025641 k( 212) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0025641 k( 213) = ( 0.3431373 0.3431373 0.3431373), wk = 0.0025641 k( 214) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0025641 k( 215) = ( 0.3627451 0.3627451 0.3627451), wk = 0.0025641 k( 216) = ( 0.3725490 0.3725490 0.3725490), wk = 0.0025641 k( 217) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0025641 k( 218) = ( 0.3921569 0.3921569 0.3921569), wk = 0.0025641 k( 219) = ( 0.4019608 0.4019608 0.4019608), wk = 0.0025641 k( 220) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0025641 k( 221) = ( 0.4215686 0.4215686 0.4215686), wk = 0.0025641 k( 222) = ( 0.4313726 0.4313726 0.4313726), wk = 0.0025641 k( 223) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0025641 k( 224) = ( 0.4509804 0.4509804 0.4509804), wk = 0.0025641 k( 225) = ( 0.4607843 0.4607843 0.4607843), wk = 0.0025641 k( 226) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0025641 k( 227) = ( 0.4803922 0.4803922 0.4803922), wk = 0.0025641 k( 228) = ( 0.4901961 0.4901961 0.4901961), wk = 0.0025641 k( 229) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025641 k( 230) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025641 k( 231) = ( 0.5034722 0.4930556 0.5034722), wk = 0.0025641 k( 232) = ( 0.5069444 0.4861111 0.5069444), wk = 0.0025641 k( 233) = ( 0.5104167 0.4791667 0.5104167), wk = 0.0025641 k( 234) = ( 0.5138889 0.4722222 0.5138889), wk = 0.0025641 k( 235) = ( 0.5173611 0.4652778 0.5173611), wk = 0.0025641 k( 236) = ( 0.5208333 0.4583333 0.5208333), wk = 0.0025641 k( 237) = ( 0.5243056 0.4513889 0.5243056), wk = 0.0025641 k( 238) = ( 0.5277778 0.4444444 0.5277778), wk = 0.0025641 k( 239) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0025641 k( 240) = ( 0.5347222 0.4305556 0.5347222), wk = 0.0025641 k( 241) = ( 0.5381944 0.4236111 0.5381944), wk = 0.0025641 k( 242) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0025641 k( 243) = ( 0.5451389 0.4097222 0.5451389), wk = 0.0025641 k( 244) = ( 0.5486111 0.4027778 0.5486111), wk = 0.0025641 k( 245) = ( 0.5520833 0.3958333 0.5520833), wk = 0.0025641 k( 246) = ( 0.5555556 0.3888889 0.5555556), wk = 0.0025641 k( 247) = ( 0.5590278 0.3819444 0.5590278), wk = 0.0025641 k( 248) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0025641 k( 249) = ( 0.5659722 0.3680556 0.5659722), wk = 0.0025641 k( 250) = ( 0.5694444 0.3611111 0.5694444), wk = 0.0025641 k( 251) = ( 0.5729167 0.3541667 0.5729167), wk = 0.0025641 k( 252) = ( 0.5763889 0.3472222 0.5763889), wk = 0.0025641 k( 253) = ( 0.5798611 0.3402778 0.5798611), wk = 0.0025641 k( 254) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0025641 k( 255) = ( 0.5868056 0.3263889 0.5868056), wk = 0.0025641 k( 256) = ( 0.5902778 0.3194444 0.5902778), wk = 0.0025641 k( 257) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0025641 k( 258) = ( 0.5972222 0.3055556 0.5972222), wk = 0.0025641 k( 259) = ( 0.6006944 0.2986111 0.6006944), wk = 0.0025641 k( 260) = ( 0.6041667 0.2916667 0.6041667), wk = 0.0025641 k( 261) = ( 0.6076389 0.2847222 0.6076389), wk = 0.0025641 k( 262) = ( 0.6111111 0.2777778 0.6111111), wk = 0.0025641 k( 263) = ( 0.6145833 0.2708333 0.6145833), wk = 0.0025641 k( 264) = ( 0.6180556 0.2638889 0.6180556), wk = 0.0025641 k( 265) = ( 0.6215278 0.2569444 0.6215278), wk = 0.0025641 k( 266) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0025641 k( 267) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0025641 k( 268) = ( 0.6190476 0.2500000 0.6309524), wk = 0.0025641 k( 269) = ( 0.6130952 0.2500000 0.6369048), wk = 0.0025641 k( 270) = ( 0.6071429 0.2500000 0.6428571), wk = 0.0025641 k( 271) = ( 0.6011905 0.2500000 0.6488095), wk = 0.0025641 k( 272) = ( 0.5952381 0.2500000 0.6547619), wk = 0.0025641 k( 273) = ( 0.5892857 0.2500000 0.6607143), wk = 0.0025641 k( 274) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0025641 k( 275) = ( 0.5773810 0.2500000 0.6726191), wk = 0.0025641 k( 276) = ( 0.5714286 0.2500000 0.6785714), wk = 0.0025641 k( 277) = ( 0.5654762 0.2500000 0.6845238), wk = 0.0025641 k( 278) = ( 0.5595238 0.2500000 0.6904762), wk = 0.0025641 k( 279) = ( 0.5535714 0.2500000 0.6964286), wk = 0.0025641 k( 280) = ( 0.5476190 0.2500000 0.7023810), wk = 0.0025641 k( 281) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0025641 k( 282) = ( 0.5357143 0.2500000 0.7142857), wk = 0.0025641 k( 283) = ( 0.5297619 0.2500000 0.7202381), wk = 0.0025641 k( 284) = ( 0.5238095 0.2500000 0.7261905), wk = 0.0025641 k( 285) = ( 0.5178571 0.2500000 0.7321429), wk = 0.0025641 k( 286) = ( 0.5119048 0.2500000 0.7380952), wk = 0.0025641 k( 287) = ( 0.5059524 0.2500000 0.7440476), wk = 0.0025641 k( 288) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0025641 k( 289) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0025641 k( 290) = ( 0.5000000 0.2559524 0.7440476), wk = 0.0025641 k( 291) = ( 0.5000000 0.2619048 0.7380952), wk = 0.0025641 k( 292) = ( 0.5000000 0.2678571 0.7321429), wk = 0.0025641 k( 293) = ( 0.5000000 0.2738095 0.7261905), wk = 0.0025641 k( 294) = ( 0.5000000 0.2797619 0.7202381), wk = 0.0025641 k( 295) = ( 0.5000000 0.2857143 0.7142857), wk = 0.0025641 k( 296) = ( 0.5000000 0.2916667 0.7083333), wk = 0.0025641 k( 297) = ( 0.5000000 0.2976190 0.7023810), wk = 0.0025641 k( 298) = ( 0.5000000 0.3035714 0.6964286), wk = 0.0025641 k( 299) = ( 0.5000000 0.3095238 0.6904762), wk = 0.0025641 k( 300) = ( 0.5000000 0.3154762 0.6845238), wk = 0.0025641 k( 301) = ( 0.5000000 0.3214286 0.6785714), wk = 0.0025641 k( 302) = ( 0.5000000 0.3273810 0.6726191), wk = 0.0025641 k( 303) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0025641 k( 304) = ( 0.5000000 0.3392857 0.6607143), wk = 0.0025641 k( 305) = ( 0.5000000 0.3452381 0.6547619), wk = 0.0025641 k( 306) = ( 0.5000000 0.3511905 0.6488095), wk = 0.0025641 k( 307) = ( 0.5000000 0.3571429 0.6428571), wk = 0.0025641 k( 308) = ( 0.5000000 0.3630952 0.6369048), wk = 0.0025641 k( 309) = ( 0.5000000 0.3690476 0.6309524), wk = 0.0025641 k( 310) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0025641 k( 311) = ( 0.5000000 0.3809524 0.6190476), wk = 0.0025641 k( 312) = ( 0.5000000 0.3869048 0.6130952), wk = 0.0025641 k( 313) = ( 0.5000000 0.3928571 0.6071429), wk = 0.0025641 k( 314) = ( 0.5000000 0.3988095 0.6011905), wk = 0.0025641 k( 315) = ( 0.5000000 0.4047619 0.5952381), wk = 0.0025641 k( 316) = ( 0.5000000 0.4107143 0.5892857), wk = 0.0025641 k( 317) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0025641 k( 318) = ( 0.5000000 0.4226190 0.5773810), wk = 0.0025641 k( 319) = ( 0.5000000 0.4285714 0.5714286), wk = 0.0025641 k( 320) = ( 0.5000000 0.4345238 0.5654762), wk = 0.0025641 k( 321) = ( 0.5000000 0.4404762 0.5595238), wk = 0.0025641 k( 322) = ( 0.5000000 0.4464286 0.5535714), wk = 0.0025641 k( 323) = ( 0.5000000 0.4523810 0.5476191), wk = 0.0025641 k( 324) = ( 0.5000000 0.4583333 0.5416667), wk = 0.0025641 k( 325) = ( 0.5000000 0.4642857 0.5357143), wk = 0.0025641 k( 326) = ( 0.5000000 0.4702381 0.5297619), wk = 0.0025641 k( 327) = ( 0.5000000 0.4761905 0.5238095), wk = 0.0025641 k( 328) = ( 0.5000000 0.4821429 0.5178571), wk = 0.0025641 k( 329) = ( 0.5000000 0.4880952 0.5119048), wk = 0.0025641 k( 330) = ( 0.5000000 0.4940476 0.5059524), wk = 0.0025641 k( 331) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025641 k( 332) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025641 k( 333) = ( 0.4965278 0.4965278 0.5069444), wk = 0.0025641 k( 334) = ( 0.4930556 0.4930556 0.5138889), wk = 0.0025641 k( 335) = ( 0.4895833 0.4895833 0.5208333), wk = 0.0025641 k( 336) = ( 0.4861111 0.4861111 0.5277778), wk = 0.0025641 k( 337) = ( 0.4826389 0.4826389 0.5347222), wk = 0.0025641 k( 338) = ( 0.4791667 0.4791667 0.5416667), wk = 0.0025641 k( 339) = ( 0.4756944 0.4756944 0.5486111), wk = 0.0025641 k( 340) = ( 0.4722222 0.4722222 0.5555556), wk = 0.0025641 k( 341) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0025641 k( 342) = ( 0.4652778 0.4652778 0.5694444), wk = 0.0025641 k( 343) = ( 0.4618056 0.4618056 0.5763889), wk = 0.0025641 k( 344) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0025641 k( 345) = ( 0.4548611 0.4548611 0.5902778), wk = 0.0025641 k( 346) = ( 0.4513889 0.4513889 0.5972222), wk = 0.0025641 k( 347) = ( 0.4479167 0.4479167 0.6041667), wk = 0.0025641 k( 348) = ( 0.4444444 0.4444444 0.6111111), wk = 0.0025641 k( 349) = ( 0.4409722 0.4409722 0.6180556), wk = 0.0025641 k( 350) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0025641 k( 351) = ( 0.4340278 0.4340278 0.6319444), wk = 0.0025641 k( 352) = ( 0.4305556 0.4305556 0.6388889), wk = 0.0025641 k( 353) = ( 0.4270833 0.4270833 0.6458333), wk = 0.0025641 k( 354) = ( 0.4236111 0.4236111 0.6527778), wk = 0.0025641 k( 355) = ( 0.4201389 0.4201389 0.6597222), wk = 0.0025641 k( 356) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0025641 k( 357) = ( 0.4131944 0.4131944 0.6736111), wk = 0.0025641 k( 358) = ( 0.4097222 0.4097222 0.6805556), wk = 0.0025641 k( 359) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0025641 k( 360) = ( 0.4027778 0.4027778 0.6944444), wk = 0.0025641 k( 361) = ( 0.3993056 0.3993056 0.7013889), wk = 0.0025641 k( 362) = ( 0.3958333 0.3958333 0.7083333), wk = 0.0025641 k( 363) = ( 0.3923611 0.3923611 0.7152778), wk = 0.0025641 k( 364) = ( 0.3888889 0.3888889 0.7222222), wk = 0.0025641 k( 365) = ( 0.3854167 0.3854167 0.7291667), wk = 0.0025641 k( 366) = ( 0.3819444 0.3819444 0.7361111), wk = 0.0025641 k( 367) = ( 0.3784722 0.3784722 0.7430556), wk = 0.0025641 k( 368) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0025641 k( 369) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0025641 k( 370) = ( 0.6190476 0.2380952 0.6190476), wk = 0.0025641 k( 371) = ( 0.6130952 0.2261905 0.6130952), wk = 0.0025641 k( 372) = ( 0.6071429 0.2142857 0.6071429), wk = 0.0025641 k( 373) = ( 0.6011905 0.2023809 0.6011905), wk = 0.0025641 k( 374) = ( 0.5952381 0.1904762 0.5952381), wk = 0.0025641 k( 375) = ( 0.5892857 0.1785714 0.5892857), wk = 0.0025641 k( 376) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0025641 k( 377) = ( 0.5773810 0.1547619 0.5773810), wk = 0.0025641 k( 378) = ( 0.5714286 0.1428571 0.5714286), wk = 0.0025641 k( 379) = ( 0.5654762 0.1309524 0.5654762), wk = 0.0025641 k( 380) = ( 0.5595238 0.1190476 0.5595238), wk = 0.0025641 k( 381) = ( 0.5535714 0.1071429 0.5535714), wk = 0.0025641 k( 382) = ( 0.5476190 0.0952381 0.5476191), wk = 0.0025641 k( 383) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0025641 k( 384) = ( 0.5357143 0.0714286 0.5357143), wk = 0.0025641 k( 385) = ( 0.5297619 0.0595238 0.5297619), wk = 0.0025641 k( 386) = ( 0.5238095 0.0476190 0.5238095), wk = 0.0025641 k( 387) = ( 0.5178571 0.0357143 0.5178571), wk = 0.0025641 k( 388) = ( 0.5119048 0.0238095 0.5119048), wk = 0.0025641 k( 389) = ( 0.5059524 0.0119048 0.5059524), wk = 0.0025641 k( 390) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025641 Dense grid: 24597 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 12339 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 88, 24) NL pseudopotentials 0.03 Mb ( 44, 48) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 684) G-vector shells 0.00 Mb ( 227) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.13 Mb ( 88, 96) Each subspace H/S matrix 0.01 Mb ( 24, 24) Each matrix 0.04 Mb ( 48, 2, 24) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./KF.save/charge-density.dat Starting wfc are 24 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.6 secs Computing kpt #: 2 total cpu time spent up to now is 1.7 secs Computing kpt #: 3 total cpu time spent up to now is 1.8 secs Computing kpt #: 4 total cpu time spent up to now is 1.9 secs Computing kpt #: 5 total cpu time spent up to now is 2.0 secs Computing kpt #: 6 total cpu time spent up to now is 2.1 secs Computing kpt #: 7 total cpu time spent up to now is 2.2 secs Computing kpt #: 8 total cpu time spent up to now is 2.3 secs Computing kpt #: 9 total cpu time spent up to now is 2.4 secs Computing kpt #: 10 total cpu time spent up to now is 2.5 secs Computing kpt #: 11 total cpu time spent up to now is 2.6 secs Computing kpt #: 12 total cpu time spent up to now is 2.7 secs Computing kpt #: 13 total cpu time spent up to now is 2.8 secs Computing kpt 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Computing kpt #: 30 total cpu time spent up to now is 4.4 secs Computing kpt #: 31 total cpu time spent up to now is 4.5 secs Computing kpt #: 32 total cpu time spent up to now is 4.7 secs Computing kpt #: 33 total cpu time spent up to now is 4.8 secs Computing kpt #: 34 total cpu time spent up to now is 4.9 secs Computing kpt #: 35 total cpu time spent up to now is 5.0 secs Computing kpt #: 36 total cpu time spent up to now is 5.1 secs Computing kpt #: 37 total cpu time spent up to now is 5.2 secs Computing kpt #: 38 total cpu time spent up to now is 5.3 secs Computing kpt #: 39 total cpu time spent up to now is 5.4 secs Computing kpt #: 40 total cpu time spent up to now is 5.5 secs Computing kpt #: 41 total cpu time spent up to now is 5.7 secs Computing kpt #: 42 total cpu time spent up to now is 5.8 secs Computing kpt #: 43 total cpu time spent up to now is 5.9 secs Computing kpt #: 44 total cpu time spent up to now is 6.0 secs Computing kpt #: 45 total cpu time spent up to now is 6.1 secs Computing kpt #: 46 total cpu time spent up to now is 6.2 secs Computing kpt #: 47 total cpu time spent up to now is 6.8 secs Computing kpt #: 48 total cpu time spent up to now is 6.9 secs Computing kpt #: 49 total cpu time spent up to now is 7.0 secs Computing kpt #: 50 total cpu time spent up to now is 7.1 secs Computing kpt #: 51 total cpu time spent up to now is 7.2 secs Computing kpt #: 52 total cpu time spent up to now is 7.3 secs Computing kpt #: 53 total cpu time spent up to now is 7.4 secs Computing kpt #: 54 total cpu time spent up to now is 7.5 secs Computing kpt #: 55 total cpu time spent up to now is 7.6 secs Computing kpt #: 56 total cpu time spent up to now is 7.8 secs Computing kpt #: 57 total cpu time spent up to now is 7.9 secs Computing kpt #: 58 total cpu time spent up to now is 8.1 secs Computing kpt #: 59 total cpu time spent up to now is 8.2 secs Computing kpt #: 60 total cpu time spent up to now is 8.4 secs Computing kpt #: 61 total cpu time spent up to 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spent up to now is 10.3 secs Computing kpt #: 78 total cpu time spent up to now is 10.4 secs Computing kpt #: 79 total cpu time spent up to now is 10.5 secs Computing kpt #: 80 total cpu time spent up to now is 10.6 secs Computing kpt #: 81 total cpu time spent up to now is 10.7 secs Computing kpt #: 82 total cpu time spent up to now is 10.8 secs Computing kpt #: 83 total cpu time spent up to now is 10.9 secs Computing kpt #: 84 total cpu time spent up to now is 11.0 secs Computing kpt #: 85 total cpu time spent up to now is 11.1 secs Computing kpt #: 86 total cpu time spent up to now is 11.2 secs Computing kpt #: 87 total cpu time spent up to now is 11.3 secs Computing kpt #: 88 total cpu time spent up to now is 11.4 secs Computing kpt #: 89 total cpu time spent up to now is 11.5 secs Computing kpt #: 90 total cpu time spent up to now is 11.6 secs Computing kpt #: 91 total cpu time spent up to now is 11.7 secs Computing kpt #: 92 total cpu time spent up to now is 11.8 secs Computing kpt #: 93 total cpu time spent up to now is 11.9 secs Computing kpt #: 94 total cpu time spent up to now is 11.9 secs Computing kpt #: 95 total cpu time spent up to now is 12.0 secs Computing kpt #: 96 total cpu time spent up to now is 12.1 secs Computing kpt #: 97 total cpu time spent up to now is 12.2 secs Computing kpt #: 98 total cpu time spent up to now is 12.3 secs Computing kpt #: 99 total cpu time spent up to now is 12.4 secs Computing kpt #: 100 total cpu time spent up to now is 12.5 secs Computing kpt #: 101 total cpu time spent up to now is 12.6 secs Computing kpt #: 102 total cpu time spent up to now is 12.7 secs Computing kpt #: 103 total cpu time spent up to now is 12.8 secs Computing kpt #: 104 total cpu time spent up to now is 12.9 secs Computing kpt #: 105 total cpu time spent up to now is 13.0 secs Computing kpt #: 106 total cpu time spent up to now is 13.2 secs Computing kpt #: 107 total cpu time spent up to now is 13.3 secs Computing kpt #: 108 total cpu time spent up to now is 13.4 secs Computing kpt #: 109 total cpu time spent up to now is 13.5 secs Computing kpt #: 110 total cpu time spent up to now is 13.6 secs Computing kpt #: 111 total cpu time spent up to now is 13.7 secs Computing kpt #: 112 total cpu time spent up to now is 13.8 secs Computing kpt #: 113 total cpu time spent up to now is 13.9 secs Computing kpt #: 114 total cpu time spent up to now is 14.0 secs Computing kpt #: 115 total cpu time spent up to now is 14.1 secs Computing kpt #: 116 total cpu time spent up to now is 14.3 secs Computing kpt #: 117 total cpu time spent up to now is 14.4 secs Computing kpt #: 118 total cpu time spent up to now is 14.5 secs Computing kpt #: 119 total cpu time spent up to now is 14.6 secs Computing kpt #: 120 total cpu time spent up to now is 14.8 secs Computing kpt #: 121 total cpu time spent up to now is 14.9 secs Computing kpt #: 122 total cpu time spent up to now is 15.0 secs Computing kpt #: 123 total cpu time spent up to now is 15.1 secs Computing kpt #: 124 total cpu time spent up to now is 15.2 secs Computing kpt #: 125 total cpu time spent up to now is 15.3 secs Computing kpt #: 126 total cpu time spent up to now is 15.4 secs Computing kpt #: 127 total cpu time spent up to now is 15.6 secs Computing kpt #: 128 total cpu time spent up to now is 15.7 secs Computing kpt #: 129 total cpu time spent up to now is 15.8 secs Computing kpt #: 130 total cpu time spent up to now is 15.9 secs Computing kpt #: 131 total cpu time spent up to now is 16.0 secs Computing kpt #: 132 total cpu time spent up to now is 16.1 secs Computing kpt #: 133 total cpu time spent up to now is 16.2 secs Computing kpt #: 134 total cpu time spent up to now is 16.3 secs Computing kpt #: 135 total cpu time spent up to now is 16.5 secs Computing kpt #: 136 total cpu time spent up to now is 16.6 secs Computing kpt #: 137 total cpu time spent up to now is 16.7 secs Computing kpt #: 138 total cpu time spent up to now is 16.8 secs Computing kpt #: 139 total cpu time spent up to now is 16.9 secs Computing kpt #: 140 total cpu time spent up to now is 17.0 secs Computing kpt #: 141 total cpu time spent up to now is 17.1 secs Computing kpt #: 142 total cpu time spent up to now is 17.2 secs Computing kpt #: 143 total cpu time spent up to now is 17.3 secs Computing kpt #: 144 total cpu time spent up to now is 17.4 secs Computing kpt #: 145 total cpu time spent up to now is 17.5 secs Computing kpt #: 146 total cpu time spent up to now is 17.6 secs Computing kpt #: 147 total cpu time spent up to now is 17.7 secs Computing kpt #: 148 total cpu time spent up to now is 17.8 secs Computing kpt #: 149 total cpu time spent up to now is 17.9 secs Computing kpt #: 150 total cpu time spent up to now is 18.0 secs Computing kpt #: 151 total cpu time spent up to now is 18.1 secs Computing kpt #: 152 total cpu time spent up to now is 18.2 secs Computing kpt #: 153 total cpu time spent up to now is 18.3 secs Computing kpt #: 154 total cpu time spent up 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Computing kpt #: 170 total cpu time spent up to now is 20.0 secs Computing kpt #: 171 total cpu time spent up to now is 20.1 secs Computing kpt #: 172 total cpu time spent up to now is 20.2 secs Computing kpt #: 173 total cpu time spent up to now is 20.3 secs Computing kpt #: 174 total cpu time spent up to now is 20.4 secs Computing kpt #: 175 total cpu time spent up to now is 20.5 secs Computing kpt #: 176 total cpu time spent up to now is 20.6 secs Computing kpt #: 177 total cpu time spent up to now is 20.7 secs Computing kpt #: 178 total cpu time spent up to now is 20.8 secs Computing kpt #: 179 total cpu time spent up to now is 20.8 secs Computing kpt #: 180 total cpu time spent up to now is 20.9 secs Computing kpt #: 181 total cpu time spent up to now is 21.0 secs Computing kpt #: 182 total cpu time spent up to now is 21.1 secs Computing kpt #: 183 total cpu time spent up to now is 21.2 secs Computing kpt #: 184 total cpu time spent up to now is 21.3 secs Computing kpt #: 185 total cpu time spent up to now is 21.4 secs Computing kpt #: 186 total cpu time spent up to now is 21.5 secs Computing kpt #: 187 total cpu time spent up to now is 21.6 secs Computing kpt #: 188 total cpu time spent up to now is 21.7 secs Computing kpt #: 189 total cpu time spent up to now is 21.8 secs Computing kpt #: 190 total cpu time spent up to now is 21.9 secs Computing kpt #: 191 total cpu time spent up to now is 22.0 secs Computing kpt #: 192 total cpu time spent up to now is 22.1 secs Computing kpt #: 193 total cpu time spent up to now is 22.2 secs Computing kpt #: 194 total cpu time spent up to now is 22.3 secs Computing kpt #: 195 total cpu time spent up to now is 22.3 secs Computing kpt #: 196 total cpu time spent up to now is 22.4 secs Computing kpt #: 197 total cpu time spent up to now is 22.5 secs Computing kpt #: 198 total cpu time spent up to now is 22.6 secs Computing kpt #: 199 total cpu time spent up to now is 22.7 secs Computing kpt #: 200 total cpu time spent up to now is 22.8 secs Computing kpt #: 201 total cpu time spent up to now is 22.9 secs Computing kpt #: 202 total cpu time spent up to now is 23.0 secs Computing kpt #: 203 total cpu time spent up to now is 23.1 secs Computing kpt #: 204 total cpu time spent up to now is 23.2 secs Computing kpt #: 205 total cpu time spent up to now is 23.3 secs Computing kpt #: 206 total cpu time spent up to now is 23.4 secs Computing kpt #: 207 total cpu time spent up to now is 23.5 secs Computing kpt #: 208 total cpu time spent up to now is 23.6 secs Computing kpt #: 209 total cpu time spent up to now is 23.7 secs Computing kpt #: 210 total cpu time spent up to now is 23.8 secs Computing kpt #: 211 total cpu time spent up to now is 23.9 secs Computing kpt #: 212 total cpu time spent up to now is 24.0 secs Computing kpt #: 213 total cpu time spent up to now is 24.1 secs Computing kpt #: 214 total cpu time spent up to now is 24.2 secs Computing kpt #: 215 total cpu time spent up to now is 24.3 secs Computing kpt #: 216 total cpu time spent up to now is 24.4 secs Computing kpt #: 217 total cpu time spent up to now is 24.4 secs Computing kpt #: 218 total cpu time spent up to now is 24.5 secs Computing kpt #: 219 total cpu time spent up to now is 24.6 secs Computing kpt #: 220 total cpu time spent up to now is 24.7 secs Computing kpt #: 221 total cpu time spent up to now is 24.8 secs Computing kpt #: 222 total cpu time spent up to now is 24.9 secs Computing kpt #: 223 total cpu time spent up to now is 25.0 secs Computing kpt #: 224 total cpu time spent up to now is 25.1 secs Computing kpt #: 225 total cpu time spent up to now is 25.2 secs Computing kpt #: 226 total cpu time spent up to now is 25.3 secs Computing kpt #: 227 total cpu time spent up to now is 25.4 secs Computing kpt #: 228 total cpu time spent up to now is 25.5 secs Computing kpt #: 229 total cpu time spent up to now is 25.6 secs Computing kpt #: 230 total cpu time spent up to now is 25.7 secs Computing kpt #: 231 total cpu time spent up to now is 25.8 secs Computing kpt #: 232 total cpu time spent up to now is 25.8 secs Computing kpt #: 233 total cpu time spent up to now is 25.9 secs Computing kpt #: 234 total cpu time spent up to now is 26.0 secs Computing kpt #: 235 total cpu time spent up to now is 26.1 secs Computing kpt #: 236 total cpu time spent up to now is 26.2 secs Computing kpt #: 237 total cpu time spent up to now is 26.3 secs Computing kpt #: 238 total cpu time spent up to now is 26.4 secs Computing kpt #: 239 total cpu time spent up to now is 26.5 secs Computing kpt #: 240 total cpu time spent up to now is 26.6 secs Computing kpt #: 241 total cpu time spent up to now is 26.7 secs Computing kpt #: 242 total cpu time spent up to now is 26.8 secs Computing kpt #: 243 total cpu time spent up to now is 26.9 secs Computing kpt #: 244 total cpu time spent up to now is 27.0 secs Computing kpt #: 245 total cpu time spent up to now is 27.1 secs Computing kpt #: 246 total cpu time spent up to now is 27.2 secs Computing kpt #: 247 total cpu time spent up to now is 27.3 secs Computing kpt #: 248 total cpu time spent up to now is 27.4 secs Computing kpt #: 249 total cpu time spent up to now is 27.5 secs Computing kpt #: 250 total cpu time spent up to now is 27.6 secs Computing kpt #: 251 total cpu time spent up to now is 27.7 secs Computing kpt #: 252 total cpu time spent up to now is 27.8 secs Computing kpt #: 253 total cpu time spent up to now is 27.9 secs Computing kpt #: 254 total cpu time spent up to now is 28.0 secs Computing kpt #: 255 total cpu time spent up to now is 28.1 secs Computing kpt #: 256 total cpu time spent up to now is 28.2 secs Computing kpt #: 257 total cpu time spent up to now is 28.3 secs Computing kpt #: 258 total cpu time spent up to now is 28.4 secs Computing kpt #: 259 total cpu time spent up to now is 28.5 secs Computing kpt #: 260 total cpu time spent up to now is 28.7 secs Computing kpt #: 261 total cpu time spent up to now is 28.8 secs Computing kpt #: 262 total cpu time spent up to now is 28.9 secs Computing kpt #: 263 total cpu time spent up to now is 29.0 secs Computing kpt #: 264 total cpu time spent up to now is 29.2 secs Computing kpt #: 265 total cpu time spent up to now is 29.3 secs Computing kpt #: 266 total cpu time spent up to now is 29.4 secs Computing kpt #: 267 total cpu time spent up to now is 29.5 secs Computing kpt #: 268 total cpu time spent up to now is 29.7 secs Computing kpt #: 269 total cpu time spent up to now is 29.8 secs Computing kpt #: 270 total cpu time spent up to now is 29.9 secs Computing kpt #: 271 total cpu time spent up to now is 30.0 secs Computing kpt #: 272 total cpu time spent up to now is 30.1 secs Computing kpt #: 273 total cpu time spent up to now is 30.2 secs Computing kpt #: 274 total cpu time spent up to now is 30.3 secs Computing kpt #: 275 total cpu time spent up to now is 30.4 secs Computing kpt #: 276 total cpu time spent up to now is 30.5 secs Computing kpt #: 277 total cpu time spent up to now is 30.6 secs Computing kpt #: 278 total cpu time spent up to now is 30.7 secs Computing kpt #: 279 total cpu time spent up to now is 30.8 secs Computing kpt #: 280 total cpu time spent up to now is 30.9 secs Computing kpt #: 281 total cpu time spent up to now is 31.0 secs Computing kpt #: 282 total cpu time spent up to now is 31.1 secs Computing kpt #: 283 total cpu time spent up to now is 31.2 secs Computing kpt #: 284 total cpu time spent up to now is 31.3 secs Computing kpt #: 285 total cpu time spent up to now is 31.4 secs Computing kpt #: 286 total cpu time spent up to now is 31.5 secs Computing kpt #: 287 total cpu time spent up to now is 31.6 secs Computing kpt #: 288 total cpu time spent up to now is 31.7 secs Computing kpt #: 289 total cpu time spent up to now is 31.8 secs Computing kpt #: 290 total cpu time spent up to now is 31.9 secs Computing kpt #: 291 total cpu time spent up to now is 32.0 secs Computing kpt #: 292 total cpu time spent up to now is 32.1 secs Computing kpt #: 293 total cpu time spent up to now is 32.2 secs Computing kpt #: 294 total cpu time spent up to now is 32.3 secs Computing kpt #: 295 total cpu time spent up to now is 32.4 secs Computing kpt #: 296 total cpu time spent up to now is 32.5 secs Computing kpt #: 297 total cpu time spent up to now is 32.6 secs Computing kpt #: 298 total cpu time spent up to now is 32.7 secs Computing kpt #: 299 total cpu time spent up to now is 32.8 secs Computing kpt #: 300 total cpu time spent up to now is 32.9 secs Computing kpt #: 301 total cpu time spent up to now is 33.0 secs Computing kpt #: 302 total cpu time spent up to now is 33.1 secs Computing kpt #: 303 total cpu time spent up to now is 33.2 secs Computing kpt #: 304 total cpu time spent up to now is 33.3 secs Computing kpt #: 305 total cpu time spent up to now is 33.4 secs Computing kpt #: 306 total cpu time spent up to now is 33.5 secs Computing kpt #: 307 total cpu time spent up to now is 33.6 secs Computing kpt #: 308 total cpu time spent up to now is 33.7 secs Computing kpt #: 309 total cpu time spent up to now is 33.8 secs Computing kpt #: 310 total cpu time spent up to now is 33.9 secs Computing kpt #: 311 total cpu time spent up to now is 34.0 secs Computing kpt #: 312 total cpu time spent up to now is 34.1 secs Computing kpt #: 313 total cpu time spent up to now is 34.2 secs Computing kpt #: 314 total cpu time spent up to now is 34.3 secs Computing kpt #: 315 total cpu time spent up to now is 34.4 secs Computing kpt #: 316 total cpu time spent up to now is 34.5 secs Computing kpt #: 317 total cpu time spent up to now is 34.6 secs Computing kpt #: 318 total cpu time spent up to now is 34.7 secs Computing kpt #: 319 total cpu time spent up to now is 34.8 secs Computing kpt #: 320 total cpu time spent up to now is 34.9 secs Computing kpt #: 321 total cpu time spent up to now is 35.0 secs Computing kpt #: 322 total cpu time spent up to now is 35.1 secs Computing kpt #: 323 total cpu time spent up to now is 35.2 secs Computing kpt #: 324 total cpu time spent up to now is 35.3 secs Computing kpt #: 325 total cpu time spent up to now is 35.4 secs Computing kpt #: 326 total cpu time spent up to now is 35.5 secs Computing kpt #: 327 total cpu time spent up to now is 35.6 secs Computing kpt #: 328 total cpu time spent up to now is 35.7 secs Computing kpt #: 329 total cpu time spent up to now is 35.8 secs Computing kpt #: 330 total cpu time spent up to now is 35.9 secs Computing kpt #: 331 total cpu time spent up to now is 36.0 secs Computing kpt #: 332 total cpu time spent up to now is 36.0 secs Computing kpt #: 333 total cpu time spent up to now is 36.1 secs Computing kpt #: 334 total cpu time spent up to now is 36.2 secs Computing kpt #: 335 total cpu time spent up to now is 36.3 secs Computing kpt #: 336 total cpu time spent up to now is 36.4 secs Computing kpt #: 337 total cpu time spent up to now is 36.5 secs Computing kpt #: 338 total cpu time spent up to now is 36.6 secs Computing kpt #: 339 total cpu time spent up to now is 36.7 secs Computing kpt #: 340 total cpu time spent up to now is 36.8 secs Computing kpt #: 341 total cpu time spent up to now is 36.9 secs Computing kpt #: 342 total cpu time spent up to now is 37.0 secs Computing kpt #: 343 total cpu time spent up to now is 37.1 secs Computing kpt #: 344 total cpu time spent up to now is 37.2 secs Computing kpt #: 345 total cpu time spent up to now is 37.3 secs Computing kpt #: 346 total cpu time spent up to now is 37.4 secs Computing kpt #: 347 total cpu time spent up to now is 37.5 secs Computing kpt #: 348 total cpu time spent up to now is 37.6 secs Computing kpt #: 349 total cpu time spent up to now is 37.7 secs Computing kpt #: 350 total cpu time spent up to now is 37.8 secs Computing kpt #: 351 total cpu time spent up to now is 37.9 secs Computing kpt #: 352 total cpu time spent up to now is 38.0 secs Computing kpt #: 353 total cpu time spent up to now is 38.1 secs Computing kpt #: 354 total cpu time spent up to now is 38.2 secs Computing kpt #: 355 total cpu time spent up to now is 38.3 secs Computing kpt #: 356 total cpu time spent up to now is 38.4 secs Computing kpt #: 357 total cpu time spent up to now is 38.5 secs Computing kpt #: 358 total cpu time spent up to now is 38.6 secs Computing kpt #: 359 total cpu time spent up to now is 38.7 secs Computing kpt #: 360 total cpu time spent up to now is 38.8 secs Computing kpt #: 361 total cpu time spent up to now is 39.0 secs Computing kpt #: 362 total cpu time spent up to now is 39.1 secs Computing kpt #: 363 total cpu time spent up to now is 39.2 secs Computing kpt #: 364 total cpu time spent up to now is 39.3 secs Computing kpt #: 365 total cpu time spent up to now is 39.5 secs Computing kpt #: 366 total cpu time spent up to now is 39.6 secs Computing kpt #: 367 total cpu time spent up to now is 39.7 secs Computing kpt #: 368 total cpu time spent up to now is 39.8 secs Computing kpt #: 369 total cpu time spent up to now is 39.9 secs Computing kpt #: 370 total cpu time spent up to now is 40.0 secs Computing kpt #: 371 total cpu time spent up to now is 40.1 secs Computing kpt #: 372 total cpu time spent up to now is 40.2 secs Computing kpt #: 373 total cpu time spent up to now is 40.4 secs Computing kpt #: 374 total cpu time spent up to now is 40.5 secs Computing kpt #: 375 total cpu time spent up to now is 40.6 secs Computing kpt #: 376 total cpu time spent up to now is 40.7 secs Computing kpt #: 377 total cpu time spent up to now is 40.8 secs Computing kpt #: 378 total cpu time spent up to now is 40.9 secs Computing kpt #: 379 total cpu time spent up to now is 41.0 secs Computing kpt #: 380 total cpu time spent up to now is 41.1 secs Computing kpt #: 381 total cpu time spent up to now is 41.2 secs Computing kpt #: 382 total cpu time spent up to now is 41.3 secs Computing kpt #: 383 total cpu time spent up to now is 41.4 secs Computing kpt #: 384 total cpu time spent up to now is 41.5 secs Computing kpt #: 385 total cpu time spent up to now is 41.6 secs Computing kpt #: 386 total cpu time spent up to now is 41.8 secs Computing kpt #: 387 total cpu time spent up to now is 41.9 secs Computing kpt #: 388 total cpu time spent up to now is 42.0 secs Computing kpt #: 389 total cpu time spent up to now is 42.1 secs Computing kpt #: 390 total cpu time spent up to now is 42.3 secs ethr = 6.25E-08, avg # of iterations = 16.7 total cpu time spent up to now is 42.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1471 PWs) bands (ev): -24.6149 -24.6149 -17.1366 -17.1366 -8.0491 -8.0491 -7.7789 -7.7789 -7.7789 -7.7789 1.4707 1.4707 1.5334 1.5334 1.5334 1.5334 7.6790 7.6790 12.1825 12.1825 12.1825 12.1825 12.1872 12.1872 k = 0.0085-0.0049 0.0069 ( 1471 PWs) bands (ev): -24.6149 -24.6149 -17.1367 -17.1367 -8.0492 -8.0492 -7.7790 -7.7790 -7.7789 -7.7789 1.4702 1.4702 1.5324 1.5324 1.5333 1.5333 7.6817 7.6817 12.1804 12.1804 12.1843 12.1843 12.1882 12.1882 k = 0.0169-0.0098 0.0138 ( 1471 PWs) bands (ev): -24.6146 -24.6146 -17.1369 -17.1369 -8.0495 -8.0495 -7.7795 -7.7795 -7.7792 -7.7792 1.4685 1.4685 1.5295 1.5295 1.5330 1.5330 7.6900 7.6900 12.1719 12.1719 12.1900 12.1900 12.1933 12.1933 k = 0.0254-0.0147 0.0208 ( 1471 PWs) bands (ev): -24.6142 -24.6142 -17.1373 -17.1373 -8.0500 -8.0500 -7.7802 -7.7802 -7.7795 -7.7795 1.4654 1.4654 1.5251 1.5251 1.5325 1.5325 7.7038 7.7038 12.1573 12.1573 12.1993 12.1993 12.2026 12.2026 k = 0.0339-0.0196 0.0277 ( 1471 PWs) bands (ev): -24.6136 -24.6136 -17.1379 -17.1379 -8.0508 -8.0508 -7.7812 -7.7812 -7.7801 -7.7801 1.4607 1.4607 1.5195 1.5195 1.5318 1.5318 7.7230 7.7230 12.1370 12.1370 12.2124 12.2124 12.2157 12.2157 k = 0.0424-0.0245 0.0346 ( 1475 PWs) bands (ev): -24.6128 -24.6128 -17.1386 -17.1386 -8.0518 -8.0518 -7.7826 -7.7826 -7.7809 -7.7809 1.4537 1.4537 1.5134 1.5134 1.5310 1.5310 7.7475 7.7475 12.1112 12.1112 12.2292 12.2292 12.2325 12.2325 k = 0.0508-0.0294 0.0415 ( 1487 PWs) bands (ev): -24.6119 -24.6119 -17.1394 -17.1394 -8.0531 -8.0531 -7.7842 -7.7842 -7.7819 -7.7819 1.4440 1.4440 1.5074 1.5074 1.5300 1.5300 7.7771 7.7771 12.0803 12.0803 12.2495 12.2495 12.2530 12.2530 k = 0.0593-0.0342 0.0484 ( 1487 PWs) bands (ev): -24.6107 -24.6107 -17.1404 -17.1404 -8.0546 -8.0546 -7.7862 -7.7862 -7.7830 -7.7830 1.4314 1.4314 1.5021 1.5021 1.5288 1.5288 7.8117 7.8117 12.0445 12.0445 12.2735 12.2735 12.2771 12.2771 k = 0.0678-0.0391 0.0554 ( 1499 PWs) bands (ev): -24.6095 -24.6095 -17.1415 -17.1415 -8.0563 -8.0563 -7.7884 -7.7884 -7.7845 -7.7845 1.4159 1.4159 1.4975 1.4975 1.5274 1.5274 7.8511 7.8511 12.0042 12.0042 12.3011 12.3011 12.3048 12.3048 k = 0.0763-0.0440 0.0623 ( 1499 PWs) bands (ev): -24.6081 -24.6081 -17.1427 -17.1427 -8.0583 -8.0583 -7.7909 -7.7909 -7.7861 -7.7861 1.3979 1.3979 1.4936 1.4936 1.5259 1.5259 7.8951 7.8951 11.9597 11.9597 12.3322 12.3322 12.3360 12.3360 k = 0.0847-0.0489 0.0692 ( 1499 PWs) bands (ev): -24.6065 -24.6065 -17.1441 -17.1441 -8.0606 -8.0606 -7.7936 -7.7936 -7.7881 -7.7881 1.3779 1.3779 1.4901 1.4901 1.5243 1.5243 7.9436 7.9436 11.9115 11.9115 12.3668 12.3668 12.3708 12.3708 k = 0.0932-0.0538 0.0761 ( 1515 PWs) bands (ev): -24.6048 -24.6048 -17.1455 -17.1455 -8.0632 -8.0632 -7.7966 -7.7966 -7.7904 -7.7904 1.3562 1.3562 1.4870 1.4870 1.5225 1.5225 7.9962 7.9962 11.8598 11.8598 12.4047 12.4047 12.4088 12.4088 k = 0.1017-0.0587 0.0830 ( 1515 PWs) bands (ev): -24.6029 -24.6029 -17.1470 -17.1470 -8.0660 -8.0660 -7.7999 -7.7999 -7.7930 -7.7930 1.3334 1.3334 1.4841 1.4841 1.5206 1.5206 8.0528 8.0528 11.8052 11.8052 12.4460 12.4460 12.4503 12.4503 k = 0.1102-0.0636 0.0900 ( 1515 PWs) bands (ev): -24.6009 -24.6009 -17.1485 -17.1485 -8.0691 -8.0691 -7.8034 -7.8034 -7.7960 -7.7960 1.3097 1.3097 1.4813 1.4813 1.5187 1.5187 8.1131 8.1131 11.7480 11.7480 12.4906 12.4906 12.4951 12.4951 k = 0.1186-0.0685 0.0969 ( 1515 PWs) bands (ev): -24.5988 -24.5988 -17.1501 -17.1501 -8.0725 -8.0725 -7.8071 -7.8071 -7.7994 -7.7994 1.2855 1.2855 1.4786 1.4786 1.5167 1.5167 8.1770 8.1770 11.6885 11.6885 12.5384 12.5384 12.5430 12.5430 k = 0.1271-0.0734 0.1038 ( 1515 PWs) bands (ev): -24.5966 -24.5966 -17.1517 -17.1517 -8.0762 -8.0762 -7.8110 -7.8110 -7.8033 -7.8033 1.2611 1.2611 1.4760 1.4760 1.5146 1.5146 8.2442 8.2442 11.6271 11.6271 12.5892 12.5892 12.5941 12.5941 k = 0.1356-0.0783 0.1107 ( 1515 PWs) bands (ev): -24.5942 -24.5942 -17.1533 -17.1533 -8.0803 -8.0803 -7.8152 -7.8152 -7.8076 -7.8076 1.2368 1.2368 1.4735 1.4735 1.5125 1.5125 8.3146 8.3146 11.5640 11.5640 12.6430 12.6430 12.6481 12.6481 k = 0.1441-0.0832 0.1176 ( 1511 PWs) bands (ev): -24.5917 -24.5917 -17.1549 -17.1549 -8.0846 -8.0846 -7.8195 -7.8195 -7.8124 -7.8124 1.2129 1.2129 1.4709 1.4709 1.5103 1.5103 8.3878 8.3878 11.4998 11.4998 12.6998 12.6998 12.7051 12.7051 k = 0.1525-0.0881 0.1246 ( 1519 PWs) bands (ev): -24.5892 -24.5892 -17.1565 -17.1565 -8.0893 -8.0893 -7.8241 -7.8241 -7.8178 -7.8178 1.1896 1.1896 1.4684 1.4684 1.5081 1.5081 8.4638 8.4638 11.4345 11.4345 12.7593 12.7593 12.7648 12.7648 k = 0.1610-0.0930 0.1315 ( 1519 PWs) bands (ev): -24.5865 -24.5865 -17.1581 -17.1581 -8.0944 -8.0944 -7.8288 -7.8288 -7.8237 -7.8237 1.1672 1.1672 1.4660 1.4660 1.5060 1.5060 8.5422 8.5422 11.3685 11.3685 12.8215 12.8215 12.8273 12.8273 k = 0.1695-0.0979 0.1384 ( 1519 PWs) bands (ev): -24.5838 -24.5838 -17.1597 -17.1597 -8.0997 -8.0997 -7.8337 -7.8337 -7.8302 -7.8302 1.1459 1.1459 1.4636 1.4636 1.5038 1.5038 8.6231 8.6231 11.3021 11.3021 12.8863 12.8863 12.8923 12.8923 k = 0.1780-0.1027 0.1453 ( 1531 PWs) bands (ev): -24.5810 -24.5810 -17.1612 -17.1612 -8.1055 -8.1055 -7.8388 -7.8388 -7.8373 -7.8373 1.1259 1.1259 1.4612 1.4612 1.5017 1.5017 8.7061 8.7061 11.2354 11.2354 12.9534 12.9534 12.9598 12.9598 k = 0.1864-0.1076 0.1522 ( 1531 PWs) bands (ev): -24.5781 -24.5781 -17.1626 -17.1626 -8.1116 -8.1116 -7.8450 -7.8450 -7.8439 -7.8439 1.1074 1.1074 1.4589 1.4589 1.4996 1.4996 8.7912 8.7912 11.1688 11.1688 13.0230 13.0230 13.0296 13.0296 k = 0.1949-0.1125 0.1591 ( 1531 PWs) bands (ev): -24.5752 -24.5752 -17.1639 -17.1639 -8.1180 -8.1180 -7.8532 -7.8532 -7.8492 -7.8492 1.0905 1.0905 1.4567 1.4567 1.4976 1.4976 8.8782 8.8782 11.1024 11.1024 13.0948 13.0948 13.1016 13.1016 k = 0.2034-0.1174 0.1661 ( 1531 PWs) bands (ev): -24.5722 -24.5722 -17.1651 -17.1651 -8.1249 -8.1249 -7.8619 -7.8619 -7.8545 -7.8545 1.0753 1.0753 1.4545 1.4545 1.4956 1.4956 8.9669 8.9669 11.0364 11.0364 13.1687 13.1687 13.1758 13.1758 k = 0.2119-0.1223 0.1730 ( 1531 PWs) bands (ev): -24.5692 -24.5692 -17.1663 -17.1663 -8.1321 -8.1321 -7.8712 -7.8712 -7.8600 -7.8600 1.0620 1.0620 1.4525 1.4525 1.4937 1.4937 9.0573 9.0573 10.9709 10.9709 13.2445 13.2445 13.2518 13.2518 k = 0.2203-0.1272 0.1799 ( 1527 PWs) bands (ev): -24.5662 -24.5662 -17.1673 -17.1673 -8.1397 -8.1397 -7.8810 -7.8810 -7.8655 -7.8655 1.0506 1.0506 1.4505 1.4505 1.4919 1.4919 9.1492 9.1492 10.9062 10.9062 13.3221 13.3221 13.3297 13.3297 k = 0.2288-0.1321 0.1868 ( 1523 PWs) bands (ev): -24.5631 -24.5631 -17.1681 -17.1681 -8.1477 -8.1477 -7.8912 -7.8912 -7.8711 -7.8711 1.0412 1.0412 1.4487 1.4487 1.4902 1.4902 9.2424 9.2424 10.8423 10.8423 13.4015 13.4015 13.4093 13.4093 k = 0.2373-0.1370 0.1937 ( 1523 PWs) bands (ev): -24.5601 -24.5601 -17.1689 -17.1689 -8.1562 -8.1562 -7.9019 -7.9019 -7.8767 -7.8767 1.0339 1.0339 1.4469 1.4469 1.4886 1.4886 9.3370 9.3370 10.7795 10.7795 13.4823 13.4823 13.4904 13.4904 k = 0.2458-0.1419 0.2007 ( 1523 PWs) bands (ev): -24.5570 -24.5570 -17.1695 -17.1695 -8.1651 -8.1651 -7.9128 -7.9128 -7.8824 -7.8824 1.0286 1.0286 1.4453 1.4453 1.4871 1.4871 9.4327 9.4327 10.7178 10.7178 13.5645 13.5645 13.5729 13.5729 k = 0.2542-0.1468 0.2076 ( 1523 PWs) bands (ev): -24.5540 -24.5540 -17.1700 -17.1700 -8.1745 -8.1745 -7.9241 -7.9241 -7.8880 -7.8880 1.0254 1.0254 1.4438 1.4438 1.4857 1.4857 9.5294 9.5294 10.6573 10.6573 13.6480 13.6480 13.6565 13.6565 k = 0.2627-0.1517 0.2145 ( 1523 PWs) bands (ev): -24.5509 -24.5509 -17.1704 -17.1704 -8.1843 -8.1843 -7.9355 -7.9355 -7.8937 -7.8937 1.0242 1.0242 1.4423 1.4423 1.4845 1.4845 9.6271 9.6271 10.5981 10.5981 13.7325 13.7325 13.7413 13.7413 k = 0.2712-0.1566 0.2214 ( 1523 PWs) bands (ev): -24.5479 -24.5479 -17.1706 -17.1706 -8.1947 -8.1947 -7.9470 -7.9470 -7.8993 -7.8993 1.0250 1.0250 1.4410 1.4410 1.4833 1.4833 9.7256 9.7256 10.5404 10.5404 13.8179 13.8179 13.8269 13.8269 k = 0.2797-0.1615 0.2283 ( 1539 PWs) bands (ev): -24.5450 -24.5450 -17.1707 -17.1707 -8.2056 -8.2056 -7.9586 -7.9586 -7.9049 -7.9049 1.0276 1.0276 1.4399 1.4399 1.4822 1.4822 9.8248 9.8248 10.4843 10.4843 13.9038 13.9038 13.9132 13.9132 k = 0.2881-0.1664 0.2353 ( 1539 PWs) bands (ev): -24.5420 -24.5420 -17.1706 -17.1706 -8.2169 -8.2169 -7.9701 -7.9701 -7.9105 -7.9105 1.0321 1.0321 1.4388 1.4388 1.4813 1.4813 9.9246 9.9246 10.4297 10.4297 13.9737 13.9737 13.9923 13.9923 k = 0.2966-0.1712 0.2422 ( 1551 PWs) bands (ev): -24.5392 -24.5392 -17.1704 -17.1704 -8.2287 -8.2287 -7.9815 -7.9815 -7.9160 -7.9160 1.0384 1.0384 1.4378 1.4378 1.4804 1.4804 10.0249 10.0249 10.3768 10.3768 13.9493 13.9493 14.0781 14.0781 k = 0.3051-0.1761 0.2491 ( 1547 PWs) bands (ev): -24.5363 -24.5363 -17.1701 -17.1701 -8.2409 -8.2409 -7.9925 -7.9925 -7.9213 -7.9213 1.0463 1.0463 1.4370 1.4370 1.4797 1.4797 10.1254 10.1254 10.3256 10.3256 13.9217 13.9217 14.1654 14.1654 k = 0.3136-0.1810 0.2560 ( 1547 PWs) bands (ev): -24.5336 -24.5336 -17.1697 -17.1697 -8.2536 -8.2536 -8.0033 -8.0033 -7.9266 -7.9266 1.0557 1.0557 1.4363 1.4363 1.4791 1.4791 10.2261 10.2261 10.2763 10.2763 13.8920 13.8920 14.2527 14.2527 k = 0.3220-0.1859 0.2629 ( 1548 PWs) bands (ev): -24.5309 -24.5309 -17.1691 -17.1691 -8.2666 -8.2666 -8.0137 -8.0137 -7.9318 -7.9318 1.0664 1.0664 1.4357 1.4357 1.4786 1.4786 10.2288 10.2288 10.3268 10.3268 13.8606 13.8606 14.3398 14.3398 k = 0.3305-0.1908 0.2699 ( 1544 PWs) bands (ev): -24.5283 -24.5283 -17.1685 -17.1685 -8.2799 -8.2799 -8.0237 -8.0237 -7.9368 -7.9368 1.0783 1.0783 1.4352 1.4352 1.4781 1.4781 10.1833 10.1833 10.4273 10.4273 13.8277 13.8277 14.4266 14.4266 k = 0.3390-0.1957 0.2768 ( 1544 PWs) bands (ev): -24.5257 -24.5257 -17.1677 -17.1677 -8.2935 -8.2935 -8.0333 -8.0333 -7.9417 -7.9417 1.0913 1.0913 1.4348 1.4348 1.4778 1.4778 10.1397 10.1397 10.5273 10.5273 13.7936 13.7936 14.5126 14.5126 k = 0.3475-0.2006 0.2837 ( 1544 PWs) bands (ev): -24.5233 -24.5233 -17.1669 -17.1669 -8.3072 -8.3072 -8.0423 -8.0423 -7.9464 -7.9464 1.1051 1.1051 1.4344 1.4344 1.4776 1.4776 10.0981 10.0981 10.6267 10.6267 13.7586 13.7586 14.5978 14.5978 k = 0.3559-0.2055 0.2906 ( 1544 PWs) bands (ev): -24.5210 -24.5210 -17.1660 -17.1660 -8.3211 -8.3211 -8.0509 -8.0509 -7.9509 -7.9509 1.1195 1.1195 1.4342 1.4342 1.4774 1.4774 10.0586 10.0586 10.7251 10.7251 13.7229 13.7229 14.6819 14.6819 k = 0.3644-0.2104 0.2975 ( 1544 PWs) bands (ev): -24.5188 -24.5188 -17.1651 -17.1651 -8.3348 -8.3348 -8.0589 -8.0589 -7.9553 -7.9553 1.1345 1.1345 1.4340 1.4340 1.4773 1.4773 10.0212 10.0212 10.8224 10.8224 13.6869 13.6869 14.7645 14.7645 k = 0.3729-0.2153 0.3045 ( 1552 PWs) bands (ev): -24.5166 -24.5166 -17.1641 -17.1641 -8.3485 -8.3485 -8.0664 -8.0664 -7.9595 -7.9595 1.1497 1.1497 1.4339 1.4339 1.4772 1.4772 9.9858 9.9858 10.9181 10.9181 13.6509 13.6509 14.7946 14.7946 k = 0.3814-0.2202 0.3114 ( 1544 PWs) bands (ev): -24.5146 -24.5146 -17.1631 -17.1631 -8.3618 -8.3618 -8.0734 -8.0734 -7.9634 -7.9634 1.1651 1.1651 1.4339 1.4339 1.4772 1.4772 9.9527 9.9527 11.0118 11.0118 13.6152 13.6152 14.8199 14.8199 k = 0.3898-0.2251 0.3183 ( 1544 PWs) bands (ev): -24.5127 -24.5127 -17.1621 -17.1621 -8.3748 -8.3748 -8.0799 -8.0799 -7.9672 -7.9672 1.1804 1.1804 1.4339 1.4339 1.4773 1.4773 9.9217 9.9217 11.1033 11.1033 13.5799 13.5799 14.8439 14.8439 k = 0.3983-0.2300 0.3252 ( 1536 PWs) bands (ev): -24.5110 -24.5110 -17.1611 -17.1611 -8.3873 -8.3873 -8.0858 -8.0858 -7.9706 -7.9706 1.1954 1.1954 1.4340 1.4340 1.4774 1.4774 9.8929 9.8929 11.1919 11.1919 13.5455 13.5455 14.8666 14.8666 k = 0.4068-0.2349 0.3321 ( 1540 PWs) bands (ev): -24.5093 -24.5093 -17.1601 -17.1601 -8.3993 -8.3993 -8.0912 -8.0912 -7.9739 -7.9739 1.2100 1.2100 1.4341 1.4341 1.4775 1.4775 9.8663 9.8663 11.2772 11.2772 13.5121 13.5121 14.8879 14.8879 k = 0.4153-0.2397 0.3391 ( 1540 PWs) bands (ev): -24.5078 -24.5078 -17.1592 -17.1592 -8.4106 -8.4106 -8.0961 -8.0961 -7.9769 -7.9769 1.2240 1.2240 1.4343 1.4343 1.4776 1.4776 9.8420 9.8420 11.3586 11.3586 13.4802 13.4802 14.9076 14.9076 k = 0.4237-0.2446 0.3460 ( 1548 PWs) bands (ev): -24.5065 -24.5065 -17.1583 -17.1583 -8.4212 -8.4212 -8.1006 -8.1006 -7.9797 -7.9797 1.2371 1.2371 1.4344 1.4344 1.4777 1.4777 9.8199 9.8199 11.4354 11.4354 13.4500 13.4500 14.9258 14.9258 k = 0.4322-0.2495 0.3529 ( 1552 PWs) bands (ev): -24.5052 -24.5052 -17.1575 -17.1575 -8.4308 -8.4308 -8.1045 -8.1045 -7.9822 -7.9822 1.2493 1.2493 1.4346 1.4346 1.4779 1.4779 9.8001 9.8001 11.5072 11.5072 13.4217 13.4217 14.9422 14.9422 k = 0.4407-0.2544 0.3598 ( 1552 PWs) bands (ev): -24.5041 -24.5041 -17.1567 -17.1567 -8.4396 -8.4396 -8.1080 -8.1080 -7.9844 -7.9844 1.2605 1.2605 1.4348 1.4348 1.4780 1.4780 9.7826 9.7826 11.5730 11.5730 13.3958 13.3958 14.9570 14.9570 k = 0.4492-0.2593 0.3667 ( 1552 PWs) bands (ev): -24.5032 -24.5032 -17.1560 -17.1560 -8.4473 -8.4473 -8.1110 -8.1110 -7.9863 -7.9863 1.2704 1.2704 1.4350 1.4350 1.4781 1.4781 9.7674 9.7674 11.6323 11.6323 13.3724 13.3724 14.9698 14.9698 k = 0.4576-0.2642 0.3737 ( 1552 PWs) bands (ev): -24.5024 -24.5024 -17.1554 -17.1554 -8.4539 -8.4539 -8.1135 -8.1135 -7.9879 -7.9879 1.2790 1.2790 1.4352 1.4352 1.4783 1.4783 9.7546 9.7546 11.6841 11.6841 13.3519 13.3519 14.9809 14.9809 k = 0.4661-0.2691 0.3806 ( 1552 PWs) bands (ev): -24.5017 -24.5017 -17.1549 -17.1549 -8.4594 -8.4594 -8.1156 -8.1156 -7.9893 -7.9893 1.2862 1.2862 1.4353 1.4353 1.4784 1.4784 9.7440 9.7440 11.7278 11.7278 13.3346 13.3346 14.9900 14.9900 k = 0.4746-0.2740 0.3875 ( 1552 PWs) bands (ev): -24.5012 -24.5012 -17.1545 -17.1545 -8.4637 -8.4637 -8.1172 -8.1172 -7.9903 -7.9903 1.2918 1.2918 1.4355 1.4355 1.4785 1.4785 9.7358 9.7358 11.7626 11.7626 13.3208 13.3208 14.9971 14.9971 k = 0.4831-0.2789 0.3944 ( 1552 PWs) bands (ev): -24.5008 -24.5008 -17.1542 -17.1542 -8.4668 -8.4668 -8.1183 -8.1183 -7.9911 -7.9911 1.2959 1.2959 1.4356 1.4356 1.4785 1.4785 9.7300 9.7300 11.7880 11.7880 13.3107 13.3107 15.0022 15.0022 k = 0.4915-0.2838 0.4013 ( 1568 PWs) bands (ev): -24.5006 -24.5006 -17.1540 -17.1540 -8.4688 -8.4688 -8.1191 -8.1191 -7.9915 -7.9915 1.2984 1.2984 1.4356 1.4356 1.4785 1.4785 9.7264 9.7264 11.8034 11.8034 13.3045 13.3045 15.0052 15.0052 k = 0.5000-0.2887 0.4082 ( 1572 PWs) bands (ev): -24.5006 -24.5006 -17.1540 -17.1540 -8.4694 -8.4694 -8.1193 -8.1193 -7.9917 -7.9917 1.2992 1.2992 1.4356 1.4356 1.4785 1.4785 9.7253 9.7253 11.8085 11.8085 13.3025 13.3025 15.0062 15.0062 k = 0.5000-0.2887 0.4082 ( 1572 PWs) bands (ev): -24.5006 -24.5006 -17.1540 -17.1540 -8.4694 -8.4694 -8.1193 -8.1193 -7.9917 -7.9917 1.2992 1.2992 1.4356 1.4356 1.4785 1.4785 9.7253 9.7253 11.8085 11.8085 13.3025 13.3025 15.0062 15.0062 k = 0.5000-0.2791 0.4151 ( 1568 PWs) bands (ev): -24.5005 -24.5005 -17.1540 -17.1540 -8.4692 -8.4692 -8.1192 -8.1192 -7.9916 -7.9916 1.2992 1.2992 1.4351 1.4351 1.4780 1.4780 9.7272 9.7272 11.8106 11.8106 13.2980 13.2980 15.0063 15.0063 k = 0.5000-0.2694 0.4219 ( 1562 PWs) bands (ev): -24.5005 -24.5005 -17.1542 -17.1542 -8.4686 -8.4686 -8.1190 -8.1190 -7.9915 -7.9915 1.2993 1.2993 1.4333 1.4333 1.4763 1.4763 9.7332 9.7332 11.8169 11.8169 13.2849 13.2849 15.0065 15.0065 k = 0.5000-0.2598 0.4287 ( 1562 PWs) bands (ev): -24.5005 -24.5005 -17.1545 -17.1545 -8.4676 -8.4676 -8.1187 -8.1187 -7.9913 -7.9913 1.2994 1.2994 1.4303 1.4303 1.4736 1.4736 9.7431 9.7431 11.8272 11.8272 13.2632 13.2632 15.0068 15.0068 k = 0.5000-0.2502 0.4355 ( 1562 PWs) bands (ev): -24.5004 -24.5004 -17.1550 -17.1550 -8.4662 -8.4662 -8.1183 -8.1183 -7.9909 -7.9909 1.2995 1.2995 1.4259 1.4259 1.4701 1.4701 9.7569 9.7569 11.8416 11.8416 13.2335 13.2335 15.0072 15.0072 k = 0.5000-0.2406 0.4423 ( 1554 PWs) bands (ev): -24.5003 -24.5003 -17.1555 -17.1555 -8.4643 -8.4643 -8.1179 -8.1179 -7.9903 -7.9903 1.2997 1.2997 1.4199 1.4199 1.4661 1.4661 9.7746 9.7746 11.8600 11.8600 13.1964 13.1964 15.0076 15.0076 k = 0.5000-0.2309 0.4491 ( 1554 PWs) bands (ev): -24.5003 -24.5003 -17.1562 -17.1562 -8.4621 -8.4621 -8.1175 -8.1175 -7.9895 -7.9895 1.2999 1.2999 1.4122 1.4122 1.4618 1.4618 9.7961 9.7961 11.8821 11.8821 13.1523 13.1523 15.0080 15.0080 k = 0.5000-0.2213 0.4559 ( 1554 PWs) bands (ev): -24.5002 -24.5002 -17.1570 -17.1570 -8.4596 -8.4596 -8.1173 -8.1173 -7.9885 -7.9885 1.3001 1.3001 1.4028 1.4028 1.4575 1.4575 9.8215 9.8215 11.9078 11.9078 13.1021 13.1021 15.0081 15.0081 k = 0.5000-0.2117 0.4627 ( 1556 PWs) bands (ev): -24.5001 -24.5001 -17.1579 -17.1579 -8.4567 -8.4567 -8.1172 -8.1172 -7.9871 -7.9871 1.3003 1.3003 1.3917 1.3917 1.4531 1.4531 9.8506 9.8506 11.9368 11.9368 13.0462 13.0462 15.0078 15.0078 k = 0.5000-0.2021 0.4695 ( 1552 PWs) bands (ev): -24.5000 -24.5000 -17.1589 -17.1589 -8.4535 -8.4535 -8.1174 -8.1174 -7.9854 -7.9854 1.3004 1.3004 1.3793 1.3793 1.4487 1.4487 9.8833 9.8833 11.9690 11.9690 12.9854 12.9854 15.0073 15.0073 k = 0.5000-0.1925 0.4763 ( 1552 PWs) bands (ev): -24.4998 -24.4998 -17.1600 -17.1600 -8.4499 -8.4499 -8.1179 -8.1179 -7.9833 -7.9833 1.3003 1.3003 1.3658 1.3658 1.4443 1.4443 9.9197 9.9197 12.0041 12.0041 12.9202 12.9202 15.0061 15.0061 k = 0.5000-0.1828 0.4831 ( 1548 PWs) bands (ev): -24.4997 -24.4997 -17.1611 -17.1611 -8.4461 -8.4461 -8.1187 -8.1187 -7.9808 -7.9808 1.2998 1.2998 1.3517 1.3517 1.4398 1.4398 9.9596 9.9596 12.0418 12.0418 12.8512 12.8512 15.0042 15.0042 k = 0.5000-0.1732 0.4899 ( 1548 PWs) bands (ev): -24.4996 -24.4996 -17.1623 -17.1623 -8.4420 -8.4420 -8.1200 -8.1200 -7.9780 -7.9780 1.2981 1.2981 1.3379 1.3379 1.4353 1.4353 10.0030 10.0030 12.0818 12.0818 12.7788 12.7788 15.0013 15.0013 k = 0.5000-0.1636 0.4967 ( 1546 PWs) bands (ev): -24.4994 -24.4994 -17.1635 -17.1635 -8.4376 -8.4376 -8.1217 -8.1217 -7.9747 -7.9747 1.2938 1.2938 1.3263 1.3263 1.4307 1.4307 10.0497 10.0497 12.1237 12.1237 12.7034 12.7034 14.9975 14.9975 k = 0.5000-0.1540 0.5035 ( 1546 PWs) bands (ev): -24.4993 -24.4993 -17.1647 -17.1647 -8.4330 -8.4330 -8.1238 -8.1238 -7.9711 -7.9711 1.2846 1.2846 1.3191 1.3191 1.4261 1.4261 10.0996 10.0996 12.1672 12.1672 12.6255 12.6255 14.9925 14.9925 k = 0.5000-0.1443 0.5103 ( 1546 PWs) bands (ev): -24.4991 -24.4991 -17.1660 -17.1660 -8.4283 -8.4283 -8.1263 -8.1263 -7.9672 -7.9672 1.2710 1.2710 1.3162 1.3162 1.4214 1.4214 10.1527 10.1527 12.2118 12.2118 12.5454 12.5454 14.9862 14.9862 k = 0.5000-0.1347 0.5171 ( 1546 PWs) bands (ev): -24.4990 -24.4990 -17.1672 -17.1672 -8.4234 -8.4234 -8.1292 -8.1292 -7.9630 -7.9630 1.2553 1.2553 1.3156 1.3156 1.4166 1.4166 10.2089 10.2089 12.2572 12.2572 12.4635 12.4635 14.9787 14.9787 k = 0.5000-0.1251 0.5239 ( 1546 PWs) bands (ev): -24.4989 -24.4989 -17.1685 -17.1685 -8.4184 -8.4184 -8.1324 -8.1324 -7.9587 -7.9587 1.2389 1.2389 1.3159 1.3159 1.4118 1.4118 10.2680 10.2680 12.3027 12.3027 12.3800 12.3800 14.9698 14.9698 k = 0.5000-0.1155 0.5307 ( 1546 PWs) bands (ev): -24.4987 -24.4987 -17.1697 -17.1697 -8.4134 -8.4134 -8.1358 -8.1358 -7.9543 -7.9543 1.2224 1.2224 1.3169 1.3169 1.4070 1.4070 10.3298 10.3298 12.2944 12.2944 12.3488 12.3488 14.9597 14.9597 k = 0.5000-0.1058 0.5375 ( 1550 PWs) bands (ev): -24.4986 -24.4986 -17.1709 -17.1709 -8.4083 -8.4083 -8.1395 -8.1395 -7.9499 -7.9499 1.2063 1.2063 1.3182 1.3182 1.4021 1.4021 10.3944 10.3944 12.2085 12.2085 12.3934 12.3934 14.9483 14.9483 k = 0.5000-0.0962 0.5443 ( 1544 PWs) bands (ev): -24.4984 -24.4984 -17.1720 -17.1720 -8.4033 -8.4033 -8.1432 -8.1432 -7.9455 -7.9455 1.1908 1.1908 1.3199 1.3199 1.3973 1.3973 10.4615 10.4615 12.1216 12.1216 12.4371 12.4371 14.9360 14.9360 k = 0.5000-0.0866 0.5511 ( 1548 PWs) bands (ev): -24.4983 -24.4983 -17.1731 -17.1731 -8.3985 -8.3985 -8.1471 -8.1471 -7.9413 -7.9413 1.1762 1.1762 1.3217 1.3217 1.3925 1.3925 10.5310 10.5310 12.0339 12.0339 12.4790 12.4790 14.9229 14.9229 k = 0.5000-0.0770 0.5579 ( 1548 PWs) bands (ev): -24.4982 -24.4982 -17.1740 -17.1740 -8.3938 -8.3938 -8.1509 -8.1509 -7.9374 -7.9374 1.1626 1.1626 1.3237 1.3237 1.3879 1.3879 10.6028 10.6028 11.9457 11.9457 12.5186 12.5186 14.9094 14.9094 k = 0.5000-0.0674 0.5647 ( 1548 PWs) bands (ev): -24.4981 -24.4981 -17.1749 -17.1749 -8.3894 -8.3894 -8.1545 -8.1545 -7.9337 -7.9337 1.1503 1.1503 1.3259 1.3259 1.3833 1.3833 10.6768 10.6768 11.8572 11.8572 12.5554 12.5554 14.8959 14.8959 k = 0.5000-0.0577 0.5715 ( 1548 PWs) bands (ev): -24.4980 -24.4980 -17.1757 -17.1757 -8.3854 -8.3854 -8.1579 -8.1579 -7.9304 -7.9304 1.1393 1.1393 1.3283 1.3283 1.3789 1.3789 10.7528 10.7528 11.7685 11.7685 12.5887 12.5887 14.8828 14.8828 k = 0.5000-0.0481 0.5784 ( 1552 PWs) bands (ev): -24.4980 -24.4980 -17.1764 -17.1764 -8.3818 -8.3818 -8.1611 -8.1611 -7.9275 -7.9275 1.1297 1.1297 1.3307 1.3307 1.3746 1.3746 10.8306 10.8306 11.6799 11.6799 12.6181 12.6181 14.8706 14.8706 k = 0.5000-0.0385 0.5852 ( 1552 PWs) bands (ev): -24.4979 -24.4979 -17.1770 -17.1770 -8.3787 -8.3787 -8.1638 -8.1638 -7.9251 -7.9251 1.1218 1.1218 1.3331 1.3331 1.3707 1.3707 10.9102 10.9102 11.5915 11.5915 12.6430 12.6430 14.8599 14.8599 k = 0.5000-0.0289 0.5920 ( 1552 PWs) bands (ev): -24.4978 -24.4978 -17.1774 -17.1774 -8.3761 -8.3761 -8.1660 -8.1660 -7.9231 -7.9231 1.1155 1.1155 1.3355 1.3355 1.3671 1.3671 10.9914 10.9914 11.5034 11.5034 12.6628 12.6628 14.8510 14.8510 k = 0.5000-0.0192 0.5988 ( 1552 PWs) bands (ev): -24.4978 -24.4978 -17.1778 -17.1778 -8.3743 -8.3743 -8.1676 -8.1676 -7.9217 -7.9217 1.1110 1.1110 1.3377 1.3377 1.3642 1.3642 11.0740 11.0740 11.4159 11.4159 12.6773 12.6773 14.8443 14.8443 k = 0.5000-0.0096 0.6056 ( 1552 PWs) bands (ev): -24.4978 -24.4978 -17.1780 -17.1780 -8.3732 -8.3732 -8.1686 -8.1686 -7.9208 -7.9208 1.1083 1.1083 1.3392 1.3392 1.3621 1.3621 11.1579 11.1579 11.3290 11.3290 12.6862 12.6862 14.8401 14.8401 k = 0.5000-0.0000 0.6124 ( 1564 PWs) bands (ev): -24.4978 -24.4978 -17.1780 -17.1780 -8.3728 -8.3728 -8.1690 -8.1690 -7.9206 -7.9206 1.1073 1.1073 1.3398 1.3398 1.3613 1.3613 11.2406 11.2406 11.2453 11.2453 12.6891 12.6891 14.8387 14.8387 k = 0.5000-0.0000 0.6124 ( 1564 PWs) bands (ev): -24.4978 -24.4978 -17.1780 -17.1780 -8.3728 -8.3728 -8.1690 -8.1690 -7.9206 -7.9206 1.1073 1.1073 1.3398 1.3398 1.3613 1.3613 11.2406 11.2406 11.2453 11.2453 12.6891 12.6891 14.8387 14.8387 k = 0.4940 0.0103 0.6124 ( 1554 PWs) bands (ev): -24.4978 -24.4978 -17.1780 -17.1780 -8.3728 -8.3728 -8.1686 -8.1686 -7.9207 -7.9207 1.1076 1.1076 1.3394 1.3394 1.3615 1.3615 11.1819 11.1819 11.3045 11.3045 12.6883 12.6883 14.8398 14.8398 k = 0.4881 0.0206 0.6124 ( 1552 PWs) bands (ev): -24.4978 -24.4978 -17.1780 -17.1780 -8.3730 -8.3730 -8.1676 -8.1676 -7.9211 -7.9211 1.1085 1.1085 1.3383 1.3383 1.3619 1.3619 11.1214 11.1214 11.3668 11.3668 12.6857 12.6857 14.8430 14.8430 k = 0.4821 0.0309 0.6124 ( 1552 PWs) bands (ev): -24.4979 -24.4979 -17.1780 -17.1780 -8.3733 -8.3733 -8.1658 -8.1658 -7.9217 -7.9217 1.1100 1.1100 1.3367 1.3367 1.3622 1.3622 11.0620 11.0620 11.4296 11.4296 12.6815 12.6815 14.8481 14.8481 k = 0.4762 0.0412 0.6124 ( 1552 PWs) bands (ev): -24.4980 -24.4980 -17.1780 -17.1780 -8.3738 -8.3738 -8.1635 -8.1635 -7.9227 -7.9227 1.1120 1.1120 1.3350 1.3350 1.3622 1.3622 11.0040 11.0040 11.4927 11.4927 12.6760 12.6760 14.8549 14.8549 k = 0.4702 0.0515 0.6124 ( 1552 PWs) bands (ev): -24.4982 -24.4982 -17.1780 -17.1780 -8.3744 -8.3744 -8.1605 -8.1605 -7.9239 -7.9239 1.1145 1.1145 1.3331 1.3331 1.3618 1.3618 10.9477 10.9477 11.5558 11.5558 12.6691 12.6691 14.8632 14.8632 k = 0.4643 0.0619 0.6124 ( 1552 PWs) bands (ev): -24.4983 -24.4983 -17.1780 -17.1780 -8.3751 -8.3751 -8.1569 -8.1569 -7.9254 -7.9254 1.1174 1.1174 1.3312 1.3312 1.3611 1.3611 10.8936 10.8936 11.6186 11.6186 12.6614 12.6614 14.8728 14.8728 k = 0.4583 0.0722 0.6124 ( 1551 PWs) bands (ev): -24.4985 -24.4985 -17.1780 -17.1780 -8.3760 -8.3760 -8.1528 -8.1528 -7.9272 -7.9272 1.1209 1.1209 1.3292 1.3292 1.3599 1.3599 10.8419 10.8419 11.6807 11.6807 12.6529 12.6529 14.8834 14.8834 k = 0.4524 0.0825 0.6124 ( 1547 PWs) bands (ev): -24.4987 -24.4987 -17.1780 -17.1780 -8.3770 -8.3770 -8.1482 -8.1482 -7.9292 -7.9292 1.1247 1.1247 1.3273 1.3273 1.3583 1.3583 10.7929 10.7929 11.7419 11.7419 12.6439 12.6439 14.8947 14.8947 k = 0.4464 0.0928 0.6124 ( 1547 PWs) bands (ev): -24.4988 -24.4988 -17.1780 -17.1780 -8.3780 -8.3780 -8.1433 -8.1433 -7.9315 -7.9315 1.1289 1.1289 1.3255 1.3255 1.3563 1.3563 10.7467 10.7467 11.8017 11.8017 12.6346 12.6346 14.9065 14.9065 k = 0.4405 0.1031 0.6124 ( 1543 PWs) bands (ev): -24.4990 -24.4990 -17.1779 -17.1779 -8.3791 -8.3791 -8.1382 -8.1382 -7.9339 -7.9339 1.1333 1.1333 1.3236 1.3236 1.3540 1.3540 10.7035 10.7035 11.8597 11.8597 12.6254 12.6254 14.9184 14.9184 k = 0.4345 0.1134 0.6124 ( 1541 PWs) bands (ev): -24.4992 -24.4992 -17.1779 -17.1779 -8.3802 -8.3802 -8.1328 -8.1328 -7.9366 -7.9366 1.1380 1.1380 1.3219 1.3219 1.3515 1.3515 10.6636 10.6636 11.9154 11.9154 12.6163 12.6163 14.9303 14.9303 k = 0.4286 0.1237 0.6124 ( 1544 PWs) bands (ev): -24.4994 -24.4994 -17.1779 -17.1779 -8.3813 -8.3813 -8.1274 -8.1274 -7.9395 -7.9395 1.1428 1.1428 1.3201 1.3201 1.3487 1.3487 10.6271 10.6271 11.9683 11.9683 12.6075 12.6075 14.9418 14.9418 k = 0.4226 0.1340 0.6124 ( 1546 PWs) bands (ev): -24.4995 -24.4995 -17.1779 -17.1779 -8.3824 -8.3824 -8.1220 -8.1220 -7.9424 -7.9424 1.1476 1.1476 1.3183 1.3183 1.3460 1.3460 10.5941 10.5941 12.0179 12.0179 12.5993 12.5993 14.9529 14.9529 k = 0.4167 0.1443 0.6124 ( 1549 PWs) bands (ev): -24.4997 -24.4997 -17.1779 -17.1779 -8.3834 -8.3834 -8.1167 -8.1167 -7.9453 -7.9453 1.1523 1.1523 1.3166 1.3166 1.3432 1.3432 10.5647 10.5647 12.0635 12.0635 12.5917 12.5917 14.9631 14.9631 k = 0.4107 0.1546 0.6124 ( 1545 PWs) bands (ev): -24.4998 -24.4998 -17.1779 -17.1779 -8.3843 -8.3843 -8.1118 -8.1118 -7.9481 -7.9481 1.1568 1.1568 1.3149 1.3149 1.3406 1.3406 10.5390 10.5390 12.1047 12.1047 12.5849 12.5849 14.9725 14.9725 k = 0.4048 0.1650 0.6124 ( 1545 PWs) bands (ev): -24.4999 -24.4999 -17.1779 -17.1779 -8.3851 -8.3851 -8.1072 -8.1072 -7.9508 -7.9508 1.1609 1.1609 1.3133 1.3133 1.3383 1.3383 10.5171 10.5171 12.1408 12.1408 12.5790 12.5790 14.9807 14.9807 k = 0.3988 0.1753 0.6124 ( 1545 PWs) bands (ev): -24.5000 -24.5000 -17.1779 -17.1779 -8.3858 -8.3858 -8.1032 -8.1032 -7.9532 -7.9532 1.1646 1.1646 1.3118 1.3118 1.3363 1.3363 10.4992 10.4992 12.1713 12.1713 12.5740 12.5740 14.9877 14.9877 k = 0.3929 0.1856 0.6124 ( 1545 PWs) bands (ev): -24.5001 -24.5001 -17.1779 -17.1779 -8.3863 -8.3863 -8.0999 -8.0999 -7.9553 -7.9553 1.1677 1.1677 1.3104 1.3104 1.3347 1.3347 10.4851 10.4851 12.1956 12.1956 12.5701 12.5701 14.9932 14.9932 k = 0.3869 0.1959 0.6124 ( 1543 PWs) bands (ev): -24.5002 -24.5002 -17.1779 -17.1779 -8.3867 -8.3867 -8.0975 -8.0975 -7.9568 -7.9568 1.1700 1.1700 1.3093 1.3093 1.3336 1.3336 10.4750 10.4750 12.2133 12.2133 12.5672 12.5672 14.9972 14.9972 k = 0.3810 0.2062 0.6124 ( 1551 PWs) bands (ev): -24.5002 -24.5002 -17.1779 -17.1779 -8.3870 -8.3870 -8.0960 -8.0960 -7.9578 -7.9578 1.1714 1.1714 1.3086 1.3086 1.3329 1.3329 10.4690 10.4690 12.2241 12.2241 12.5655 12.5655 14.9996 14.9996 k = 0.3750 0.2165 0.6124 ( 1556 PWs) bands (ev): -24.5002 -24.5002 -17.1779 -17.1779 -8.3871 -8.3871 -8.0955 -8.0955 -7.9582 -7.9582 1.1719 1.1719 1.3084 1.3084 1.3326 1.3326 10.4669 10.4669 12.2277 12.2277 12.5649 12.5649 15.0004 15.0004 k = 0.3750 0.2165 0.6124 ( 1556 PWs) bands (ev): -24.5002 -24.5002 -17.1779 -17.1779 -8.3871 -8.3871 -8.0955 -8.0955 -7.9582 -7.9582 1.1719 1.1719 1.3084 1.3084 1.3326 1.3326 10.4669 10.4669 12.2277 12.2277 12.5649 12.5649 15.0004 15.0004 k = 0.3690 0.2131 0.6027 ( 1552 PWs) bands (ev): -24.5005 -24.5005 -17.1797 -17.1797 -8.3800 -8.3800 -8.0934 -8.0934 -7.9542 -7.9542 1.1520 1.1520 1.3025 1.3025 1.3298 1.3298 10.5218 10.5218 12.1665 12.1665 12.6173 12.6173 14.9794 14.9794 k = 0.3631 0.2096 0.5929 ( 1544 PWs) bands (ev): -24.5008 -24.5008 -17.1814 -17.1814 -8.3728 -8.3728 -8.0911 -8.0911 -7.9501 -7.9501 1.1322 1.1322 1.2946 1.2946 1.3292 1.3292 10.5757 10.5757 12.1066 12.1066 12.6680 12.6680 14.9279 14.9279 k = 0.3571 0.2062 0.5832 ( 1544 PWs) bands (ev): -24.5012 -24.5012 -17.1831 -17.1831 -8.3654 -8.3654 -8.0886 -8.0886 -7.9457 -7.9457 1.1126 1.1126 1.2858 1.2858 1.3298 1.3298 10.6278 10.6278 12.0483 12.0483 12.7163 12.7163 14.8746 14.8746 k = 0.3512 0.2028 0.5735 ( 1542 PWs) bands (ev): -24.5017 -24.5017 -17.1848 -17.1848 -8.3579 -8.3579 -8.0860 -8.0860 -7.9412 -7.9412 1.0933 1.0933 1.2767 1.2767 1.3311 1.3311 10.6777 10.6777 11.9916 11.9916 12.7619 12.7619 14.8197 14.8197 k = 0.3452 0.1993 0.5638 ( 1550 PWs) bands (ev): -24.5023 -24.5023 -17.1864 -17.1864 -8.3503 -8.3503 -8.0832 -8.0832 -7.9366 -7.9366 1.0744 1.0744 1.2676 1.2676 1.3328 1.3328 10.7247 10.7247 11.9366 11.9366 12.8043 12.8043 14.7634 14.7634 k = 0.3393 0.1959 0.5541 ( 1550 PWs) bands (ev): -24.5029 -24.5029 -17.1880 -17.1880 -8.3427 -8.3427 -8.0802 -8.0802 -7.9319 -7.9319 1.0561 1.0561 1.2586 1.2586 1.3348 1.3348 10.7681 10.7681 11.8836 11.8836 12.8433 12.8433 14.7058 14.7058 k = 0.3333 0.1925 0.5443 ( 1550 PWs) bands (ev): -24.5036 -24.5036 -17.1895 -17.1895 -8.3350 -8.3350 -8.0770 -8.0770 -7.9270 -7.9270 1.0384 1.0384 1.2499 1.2499 1.3370 1.3370 10.8072 10.8072 11.8324 11.8324 12.8788 12.8788 14.6470 14.6470 k = 0.3274 0.1890 0.5346 ( 1544 PWs) bands (ev): -24.5044 -24.5044 -17.1909 -17.1909 -8.3272 -8.3272 -8.0734 -8.0734 -7.9221 -7.9221 1.0215 1.0215 1.2416 1.2416 1.3395 1.3395 10.8412 10.8412 11.7834 11.7834 12.9108 12.9108 14.5870 14.5870 k = 0.3214 0.1856 0.5249 ( 1538 PWs) bands (ev): -24.5053 -24.5053 -17.1922 -17.1922 -8.3194 -8.3194 -8.0696 -8.0696 -7.9170 -7.9170 1.0053 1.0053 1.2338 1.2338 1.3421 1.3421 10.8695 10.8695 11.7364 11.7364 12.9395 12.9395 14.5262 14.5262 k = 0.3155 0.1821 0.5152 ( 1538 PWs) bands (ev): -24.5063 -24.5063 -17.1934 -17.1934 -8.3116 -8.3116 -8.0656 -8.0656 -7.9120 -7.9120 0.9901 0.9901 1.2263 1.2263 1.3449 1.3449 10.8914 10.8914 11.6916 11.6916 12.9652 12.9652 14.4644 14.4644 k = 0.3095 0.1787 0.5055 ( 1542 PWs) bands (ev): -24.5074 -24.5074 -17.1946 -17.1946 -8.3038 -8.3038 -8.0613 -8.0613 -7.9069 -7.9069 0.9757 0.9757 1.2195 1.2195 1.3479 1.3479 10.9063 10.9063 11.6490 11.6490 12.9883 12.9883 14.4019 14.4019 k = 0.3036 0.1753 0.4957 ( 1542 PWs) bands (ev): -24.5086 -24.5086 -17.1956 -17.1956 -8.2960 -8.2960 -8.0567 -8.0567 -7.9018 -7.9018 0.9625 0.9625 1.2132 1.2132 1.3510 1.3510 10.9136 10.9136 11.6088 11.6088 13.0094 13.0094 14.3387 14.3387 k = 0.2976 0.1718 0.4860 ( 1534 PWs) bands (ev): -24.5099 -24.5099 -17.1964 -17.1964 -8.2883 -8.2883 -8.0518 -8.0518 -7.8967 -7.8967 0.9503 0.9503 1.2075 1.2075 1.3542 1.3542 10.9129 10.9129 11.5709 11.5709 13.0291 13.0291 14.2750 14.2750 k = 0.2917 0.1684 0.4763 ( 1534 PWs) bands (ev): -24.5112 -24.5112 -17.1972 -17.1972 -8.2806 -8.2806 -8.0466 -8.0466 -7.8917 -7.8917 0.9393 0.9393 1.2025 1.2025 1.3576 1.3576 10.9040 10.9040 11.5355 11.5355 13.0477 13.0477 14.2108 14.2108 k = 0.2857 0.1650 0.4666 ( 1530 PWs) bands (ev): -24.5127 -24.5127 -17.1978 -17.1978 -8.2729 -8.2729 -8.0411 -8.0411 -7.8867 -7.8867 0.9296 0.9296 1.1982 1.1982 1.3611 1.3611 10.8867 10.8867 11.5026 11.5026 13.0658 13.0658 14.1463 14.1463 k = 0.2798 0.1615 0.4568 ( 1534 PWs) bands (ev): -24.5144 -24.5144 -17.1983 -17.1983 -8.2653 -8.2653 -8.0355 -8.0355 -7.8818 -7.8818 0.9211 0.9211 1.1946 1.1946 1.3647 1.3647 10.8611 10.8611 11.4721 11.4721 13.0835 13.0835 14.0817 14.0817 k = 0.2738 0.1581 0.4471 ( 1534 PWs) bands (ev): -24.5161 -24.5161 -17.1986 -17.1986 -8.2578 -8.2578 -8.0295 -8.0295 -7.8769 -7.8769 0.9139 0.9139 1.1918 1.1918 1.3684 1.3684 10.8274 10.8274 11.4443 11.4443 13.1010 13.1010 14.0168 14.0168 k = 0.2679 0.1546 0.4374 ( 1538 PWs) bands (ev): -24.5179 -24.5179 -17.1988 -17.1988 -8.2503 -8.2503 -8.0233 -8.0233 -7.8722 -7.8722 0.9081 0.9081 1.1897 1.1897 1.3723 1.3723 10.7859 10.7859 11.4190 11.4190 13.1185 13.1185 13.9520 13.9520 k = 0.2619 0.1512 0.4277 ( 1542 PWs) bands (ev): -24.5198 -24.5198 -17.1989 -17.1989 -8.2430 -8.2430 -8.0168 -8.0168 -7.8675 -7.8675 0.9036 0.9036 1.1884 1.1884 1.3762 1.3762 10.7370 10.7370 11.3963 11.3963 13.1357 13.1357 13.8873 13.8873 k = 0.2560 0.1478 0.4180 ( 1542 PWs) bands (ev): -24.5218 -24.5218 -17.1988 -17.1988 -8.2356 -8.2356 -8.0102 -8.0102 -7.8629 -7.8629 0.9006 0.9006 1.1879 1.1879 1.3802 1.3802 10.6812 10.6812 11.3763 11.3763 13.1525 13.1525 13.8228 13.8228 k = 0.2500 0.1443 0.4082 ( 1538 PWs) bands (ev): -24.5239 -24.5239 -17.1985 -17.1985 -8.2284 -8.2284 -8.0033 -8.0033 -7.8585 -7.8585 0.8990 0.8990 1.1882 1.1882 1.3844 1.3844 10.6191 10.6191 11.3590 11.3590 13.1686 13.1686 13.7586 13.7586 k = 0.2440 0.1409 0.3985 ( 1542 PWs) bands (ev): -24.5261 -24.5261 -17.1981 -17.1981 -8.2212 -8.2212 -7.9963 -7.9963 -7.8542 -7.8542 0.8989 0.8989 1.1893 1.1893 1.3886 1.3886 10.5513 10.5513 11.3444 11.3444 13.1836 13.1836 13.6948 13.6948 k = 0.2381 0.1375 0.3888 ( 1542 PWs) bands (ev): -24.5285 -24.5285 -17.1976 -17.1976 -8.2141 -8.2141 -7.9891 -7.9891 -7.8500 -7.8500 0.9002 0.9002 1.1912 1.1912 1.3928 1.3928 10.4783 10.4783 11.3326 11.3326 13.1973 13.1973 13.6314 13.6314 k = 0.2321 0.1340 0.3791 ( 1540 PWs) bands (ev): -24.5308 -24.5308 -17.1969 -17.1969 -8.2070 -8.2070 -7.9818 -7.9818 -7.8459 -7.8459 0.9030 0.9030 1.1940 1.1940 1.3972 1.3972 10.4008 10.4008 11.3234 11.3234 13.2093 13.2093 13.5686 13.5686 k = 0.2262 0.1306 0.3694 ( 1542 PWs) bands (ev): -24.5333 -24.5333 -17.1960 -17.1960 -8.2001 -8.2001 -7.9744 -7.9744 -7.8420 -7.8420 0.9073 0.9073 1.1975 1.1975 1.4016 1.4016 10.3193 10.3193 11.3170 11.3170 13.2191 13.2191 13.5065 13.5065 k = 0.2202 0.1272 0.3596 ( 1542 PWs) bands (ev): -24.5359 -24.5359 -17.1950 -17.1950 -8.1932 -8.1932 -7.9669 -7.9669 -7.8383 -7.8383 0.9130 0.9130 1.2018 1.2018 1.4060 1.4060 10.2343 10.2343 11.3133 11.3133 13.2265 13.2265 13.4451 13.4451 k = 0.2143 0.1237 0.3499 ( 1542 PWs) bands (ev): -24.5385 -24.5385 -17.1939 -17.1939 -8.1864 -8.1864 -7.9593 -7.9593 -7.8347 -7.8347 0.9202 0.9202 1.2068 1.2068 1.4105 1.4105 10.1464 10.1464 11.3123 11.3123 13.2311 13.2311 13.3845 13.3845 k = 0.2083 0.1203 0.3402 ( 1538 PWs) bands (ev): -24.5412 -24.5412 -17.1927 -17.1927 -8.1797 -8.1797 -7.9517 -7.9517 -7.8312 -7.8312 0.9288 0.9288 1.2126 1.2126 1.4150 1.4150 10.0560 10.0560 11.3141 11.3141 13.2326 13.2326 13.3249 13.3249 k = 0.2024 0.1168 0.3305 ( 1538 PWs) bands (ev): -24.5439 -24.5439 -17.1913 -17.1913 -8.1730 -8.1730 -7.9441 -7.9441 -7.8279 -7.8279 0.9388 0.9388 1.2192 1.2192 1.4196 1.4196 9.9635 9.9635 11.3185 11.3185 13.2305 13.2305 13.2663 13.2663 k = 0.1964 0.1134 0.3208 ( 1538 PWs) bands (ev): -24.5467 -24.5467 -17.1898 -17.1898 -8.1665 -8.1665 -7.9365 -7.9365 -7.8247 -7.8247 0.9501 0.9501 1.2264 1.2264 1.4241 1.4241 9.8694 9.8694 11.3256 11.3256 13.2076 13.2076 13.2259 13.2259 k = 0.1905 0.1100 0.3110 ( 1538 PWs) bands (ev): -24.5496 -24.5496 -17.1881 -17.1881 -8.1601 -8.1601 -7.9289 -7.9289 -7.8217 -7.8217 0.9628 0.9628 1.2342 1.2342 1.4286 1.4286 9.7741 9.7741 11.3353 11.3353 13.1515 13.1515 13.2160 13.2160 k = 0.1845 0.1065 0.3013 ( 1542 PWs) bands (ev): -24.5525 -24.5525 -17.1864 -17.1864 -8.1537 -8.1537 -7.9213 -7.9213 -7.8188 -7.8188 0.9767 0.9767 1.2427 1.2427 1.4331 1.4331 9.6779 9.6779 11.3476 11.3476 13.0960 13.0960 13.2025 13.2025 k = 0.1786 0.1031 0.2916 ( 1542 PWs) bands (ev): -24.5554 -24.5554 -17.1846 -17.1846 -8.1475 -8.1475 -7.9138 -7.9138 -7.8161 -7.8161 0.9919 0.9919 1.2518 1.2518 1.4376 1.4376 9.5811 9.5811 11.3624 11.3624 13.0418 13.0418 13.1848 13.1848 k = 0.1726 0.0997 0.2819 ( 1534 PWs) bands (ev): -24.5583 -24.5583 -17.1827 -17.1827 -8.1414 -8.1414 -7.9063 -7.9063 -7.8134 -7.8134 1.0082 1.0082 1.2613 1.2613 1.4421 1.4421 9.4840 9.4840 11.3797 11.3797 12.9889 12.9889 13.1629 13.1629 k = 0.1667 0.0962 0.2722 ( 1530 PWs) bands (ev): -24.5613 -24.5613 -17.1807 -17.1807 -8.1354 -8.1354 -7.8989 -7.8989 -7.8109 -7.8109 1.0256 1.0256 1.2714 1.2714 1.4466 1.4466 9.3871 9.3871 11.3994 11.3994 12.9373 12.9373 13.1369 13.1369 k = 0.1607 0.0928 0.2624 ( 1534 PWs) bands (ev): -24.5642 -24.5642 -17.1787 -17.1787 -8.1296 -8.1296 -7.8917 -7.8917 -7.8086 -7.8086 1.0440 1.0440 1.2819 1.2819 1.4509 1.4509 9.2905 9.2905 11.4213 11.4213 12.8870 12.8870 13.1067 13.1067 k = 0.1548 0.0894 0.2527 ( 1534 PWs) bands (ev): -24.5672 -24.5672 -17.1766 -17.1766 -8.1239 -8.1239 -7.8846 -7.8846 -7.8063 -7.8063 1.0634 1.0634 1.2928 1.2928 1.4553 1.4553 9.1945 9.1945 11.4455 11.4455 12.8382 12.8382 13.0727 13.0727 k = 0.1488 0.0859 0.2430 ( 1534 PWs) bands (ev): -24.5701 -24.5701 -17.1744 -17.1744 -8.1184 -8.1184 -7.8775 -7.8775 -7.8042 -7.8042 1.0836 1.0836 1.3040 1.3040 1.4595 1.4595 9.0994 9.0994 11.4718 11.4718 12.7909 12.7909 13.0352 13.0352 k = 0.1429 0.0825 0.2333 ( 1534 PWs) bands (ev): -24.5731 -24.5731 -17.1723 -17.1723 -8.1131 -8.1131 -7.8707 -7.8707 -7.8022 -7.8022 1.1045 1.1045 1.3154 1.3154 1.4637 1.4637 9.0054 9.0054 11.5001 11.5001 12.7451 12.7451 12.9944 12.9944 k = 0.1369 0.0790 0.2236 ( 1532 PWs) bands (ev): -24.5760 -24.5760 -17.1700 -17.1700 -8.1079 -8.1079 -7.8640 -7.8640 -7.8003 -7.8003 1.1261 1.1261 1.3271 1.3271 1.4679 1.4679 8.9129 8.9129 11.5302 11.5302 12.7009 12.7009 12.9509 12.9509 k = 0.1310 0.0756 0.2138 ( 1532 PWs) bands (ev): -24.5788 -24.5788 -17.1678 -17.1678 -8.1029 -8.1029 -7.8575 -7.8575 -7.7985 -7.7985 1.1482 1.1482 1.3389 1.3389 1.4719 1.4719 8.8220 8.8220 11.5620 11.5620 12.6583 12.6583 12.9051 12.9051 k = 0.1250 0.0722 0.2041 ( 1540 PWs) bands (ev): -24.5816 -24.5816 -17.1656 -17.1656 -8.0982 -8.0982 -7.8511 -7.8511 -7.7968 -7.7968 1.1707 1.1707 1.3508 1.3508 1.4759 1.4759 8.7330 8.7330 11.5954 11.5954 12.6173 12.6173 12.8577 12.8577 k = 0.1190 0.0687 0.1944 ( 1536 PWs) bands (ev): -24.5844 -24.5844 -17.1634 -17.1634 -8.0936 -8.0936 -7.8450 -7.8450 -7.7952 -7.7952 1.1934 1.1934 1.3627 1.3627 1.4797 1.4797 8.6461 8.6461 11.6301 11.6301 12.5780 12.5780 12.8091 12.8091 k = 0.1131 0.0653 0.1847 ( 1528 PWs) bands (ev): -24.5870 -24.5870 -17.1612 -17.1612 -8.0892 -8.0892 -7.8390 -7.8390 -7.7936 -7.7936 1.2164 1.2164 1.3746 1.3746 1.4835 1.4835 8.5616 8.5616 11.6659 11.6659 12.5405 12.5405 12.7600 12.7600 k = 0.1071 0.0619 0.1750 ( 1522 PWs) bands (ev): -24.5896 -24.5896 -17.1590 -17.1590 -8.0851 -8.0851 -7.8333 -7.8333 -7.7921 -7.7921 1.2393 1.2393 1.3864 1.3864 1.4872 1.4872 8.4797 8.4797 11.7027 11.7027 12.5047 12.5047 12.7107 12.7107 k = 0.1012 0.0584 0.1652 ( 1520 PWs) bands (ev): -24.5921 -24.5921 -17.1569 -17.1569 -8.0811 -8.0811 -7.8278 -7.8278 -7.7907 -7.7907 1.2620 1.2620 1.3980 1.3980 1.4908 1.4908 8.4006 8.4006 11.7401 11.7401 12.4707 12.4707 12.6618 12.6618 k = 0.0952 0.0550 0.1555 ( 1520 PWs) bands (ev): -24.5945 -24.5945 -17.1549 -17.1549 -8.0774 -8.0774 -7.8225 -7.8225 -7.7894 -7.7894 1.2845 1.2845 1.4094 1.4094 1.4943 1.4943 8.3245 8.3245 11.7779 11.7779 12.4385 12.4385 12.6137 12.6137 k = 0.0893 0.0515 0.1458 ( 1520 PWs) bands (ev): -24.5969 -24.5969 -17.1529 -17.1529 -8.0740 -8.0740 -7.8175 -7.8175 -7.7882 -7.7882 1.3064 1.3064 1.4206 1.4206 1.4978 1.4978 8.2516 8.2516 11.8160 11.8160 12.4081 12.4081 12.5669 12.5669 k = 0.0833 0.0481 0.1361 ( 1518 PWs) bands (ev): -24.5991 -24.5991 -17.1510 -17.1510 -8.0707 -8.0707 -7.8128 -7.8128 -7.7870 -7.7870 1.3276 1.3276 1.4315 1.4315 1.5011 1.5011 8.1823 8.1823 11.8538 11.8538 12.3795 12.3795 12.5217 12.5217 k = 0.0774 0.0447 0.1264 ( 1518 PWs) bands (ev): -24.6011 -24.6011 -17.1492 -17.1492 -8.0677 -8.0677 -7.8083 -7.8083 -7.7860 -7.7860 1.3480 1.3480 1.4420 1.4420 1.5044 1.5044 8.1166 8.1166 11.8912 11.8912 12.3529 12.3529 12.4784 12.4784 k = 0.0714 0.0412 0.1166 ( 1514 PWs) bands (ev): -24.6031 -24.6031 -17.1474 -17.1474 -8.0649 -8.0649 -7.8041 -7.8041 -7.7849 -7.7849 1.3673 1.3673 1.4523 1.4523 1.5076 1.5076 8.0548 8.0548 11.9279 11.9279 12.3281 12.3281 12.4374 12.4374 k = 0.0655 0.0378 0.1069 ( 1510 PWs) bands (ev): -24.6049 -24.6049 -17.1458 -17.1458 -8.0624 -8.0624 -7.8002 -7.8002 -7.7840 -7.7840 1.3853 1.3853 1.4622 1.4622 1.5107 1.5107 7.9971 7.9971 11.9634 11.9634 12.3053 12.3053 12.3988 12.3988 k = 0.0595 0.0344 0.0972 ( 1510 PWs) bands (ev): -24.6066 -24.6066 -17.1443 -17.1443 -8.0601 -8.0601 -7.7966 -7.7966 -7.7832 -7.7832 1.4018 1.4018 1.4718 1.4718 1.5138 1.5138 7.9436 7.9436 11.9974 11.9974 12.2843 12.2843 12.3629 12.3629 k = 0.0536 0.0309 0.0875 ( 1510 PWs) bands (ev): -24.6082 -24.6082 -17.1429 -17.1429 -8.0580 -8.0580 -7.7933 -7.7933 -7.7824 -7.7824 1.4165 1.4165 1.4811 1.4811 1.5168 1.5168 7.8947 7.8947 12.0296 12.0296 12.2654 12.2654 12.3299 12.3299 k = 0.0476 0.0275 0.0778 ( 1494 PWs) bands (ev): -24.6096 -24.6096 -17.1416 -17.1416 -8.0561 -8.0561 -7.7903 -7.7903 -7.7816 -7.7816 1.4294 1.4294 1.4901 1.4901 1.5197 1.5197 7.8504 7.8504 12.0597 12.0597 12.2484 12.2484 12.3001 12.3001 k = 0.0417 0.0241 0.0680 ( 1482 PWs) bands (ev): -24.6108 -24.6108 -17.1404 -17.1404 -8.0544 -8.0544 -7.7876 -7.7876 -7.7809 -7.7809 1.4403 1.4403 1.4988 1.4988 1.5225 1.5225 7.8109 7.8109 12.0872 12.0872 12.2333 12.2333 12.2734 12.2734 k = 0.0357 0.0206 0.0583 ( 1486 PWs) bands (ev): -24.6119 -24.6119 -17.1394 -17.1394 -8.0530 -8.0530 -7.7854 -7.7854 -7.7804 -7.7804 1.4492 1.4492 1.5069 1.5069 1.5251 1.5251 7.7763 7.7763 12.1117 12.1117 12.2202 12.2202 12.2500 12.2500 k = 0.0298 0.0172 0.0486 ( 1474 PWs) bands (ev): -24.6128 -24.6128 -17.1386 -17.1386 -8.0518 -8.0518 -7.7834 -7.7834 -7.7799 -7.7799 1.4563 1.4563 1.5144 1.5144 1.5274 1.5274 7.7468 7.7468 12.1331 12.1331 12.2091 12.2091 12.2301 12.2301 k = 0.0238 0.0137 0.0389 ( 1470 PWs) bands (ev): -24.6136 -24.6136 -17.1379 -17.1379 -8.0508 -8.0508 -7.7817 -7.7817 -7.7795 -7.7795 1.4618 1.4618 1.5209 1.5209 1.5295 1.5295 7.7225 7.7225 12.1511 12.1511 12.2000 12.2000 12.2138 12.2138 k = 0.0179 0.0103 0.0292 ( 1471 PWs) bands (ev): -24.6142 -24.6142 -17.1373 -17.1373 -8.0500 -8.0500 -7.7805 -7.7805 -7.7792 -7.7792 1.4658 1.4658 1.5262 1.5262 1.5311 1.5311 7.7035 7.7035 12.1652 12.1652 12.1929 12.1929 12.2011 12.2011 k = 0.0119 0.0069 0.0194 ( 1471 PWs) bands (ev): -24.6146 -24.6146 -17.1369 -17.1369 -8.0495 -8.0495 -7.7796 -7.7796 -7.7790 -7.7790 1.4686 1.4686 1.5302 1.5302 1.5324 1.5324 7.6899 7.6899 12.1754 12.1754 12.1875 12.1875 12.1923 12.1923 k = 0.0060 0.0034 0.0097 ( 1471 PWs) bands (ev): -24.6149 -24.6149 -17.1367 -17.1367 -8.0492 -8.0492 -7.7790 -7.7790 -7.7789 -7.7789 1.4702 1.4702 1.5326 1.5326 1.5331 1.5331 7.6817 7.6817 12.1811 12.1811 12.1839 12.1839 12.1879 12.1879 k = 0.0000 0.0000 0.0000 ( 1471 PWs) bands (ev): -24.6149 -24.6149 -17.1366 -17.1366 -8.0491 -8.0491 -7.7789 -7.7789 -7.7789 -7.7789 1.4707 1.4707 1.5334 1.5334 1.5334 1.5334 7.6790 7.6790 12.1825 12.1825 12.1825 12.1825 12.1872 12.1872 k = 0.0000 0.0000 0.0000 ( 1471 PWs) bands (ev): -24.6149 -24.6149 -17.1366 -17.1366 -8.0491 -8.0491 -7.7789 -7.7789 -7.7789 -7.7789 1.4707 1.4707 1.5334 1.5334 1.5334 1.5334 7.6790 7.6790 12.1825 12.1825 12.1825 12.1825 12.1872 12.1872 k = 0.0098 0.0057 0.0040 ( 1471 PWs) bands (ev): -24.6149 -24.6149 -17.1367 -17.1367 -8.0492 -8.0492 -7.7790 -7.7790 -7.7789 -7.7789 1.4702 1.4702 1.5326 1.5326 1.5331 1.5331 7.6817 7.6817 12.1813 12.1813 12.1838 12.1838 12.1878 12.1878 k = 0.0196 0.0113 0.0080 ( 1471 PWs) bands (ev): -24.6146 -24.6146 -17.1369 -17.1369 -8.0495 -8.0495 -7.7796 -7.7796 -7.7790 -7.7790 1.4685 1.4685 1.5304 1.5304 1.5320 1.5320 7.6901 7.6901 12.1763 12.1763 12.1877 12.1877 12.1912 12.1912 k = 0.0294 0.0170 0.0120 ( 1471 PWs) bands (ev): -24.6142 -24.6142 -17.1373 -17.1373 -8.0500 -8.0500 -7.7806 -7.7806 -7.7792 -7.7792 1.4658 1.4658 1.5268 1.5268 1.5303 1.5303 7.7039 7.7039 12.1674 12.1674 12.1943 12.1943 12.1976 12.1976 k = 0.0392 0.0226 0.0160 ( 1471 PWs) bands (ev): -24.6136 -24.6136 -17.1379 -17.1379 -8.0508 -8.0508 -7.7819 -7.7819 -7.7794 -7.7794 1.4619 1.4619 1.5219 1.5219 1.5279 1.5279 7.7233 7.7233 12.1550 12.1550 12.2034 12.2034 12.2066 12.2066 k = 0.0490 0.0283 0.0200 ( 1471 PWs) bands (ev): -24.6128 -24.6128 -17.1386 -17.1386 -8.0518 -8.0518 -7.7836 -7.7836 -7.7797 -7.7797 1.4567 1.4567 1.5158 1.5158 1.5248 1.5248 7.7480 7.7480 12.1393 12.1393 12.2151 12.2151 12.2183 12.2183 k = 0.0588 0.0340 0.0240 ( 1489 PWs) bands (ev): -24.6119 -24.6119 -17.1395 -17.1395 -8.0531 -8.0531 -7.7857 -7.7857 -7.7802 -7.7802 1.4501 1.4501 1.5087 1.5087 1.5211 1.5211 7.7781 7.7781 12.1205 12.1205 12.2293 12.2293 12.2325 12.2325 k = 0.0686 0.0396 0.0280 ( 1495 PWs) bands (ev): -24.6107 -24.6107 -17.1405 -17.1405 -8.0545 -8.0545 -7.7881 -7.7881 -7.7806 -7.7806 1.4420 1.4420 1.5009 1.5009 1.5168 1.5168 7.8134 7.8134 12.0991 12.0991 12.2460 12.2460 12.2492 12.2492 k = 0.0784 0.0453 0.0320 ( 1501 PWs) bands (ev): -24.6095 -24.6095 -17.1417 -17.1417 -8.0561 -8.0561 -7.7908 -7.7908 -7.7811 -7.7811 1.4322 1.4322 1.4925 1.4925 1.5118 1.5118 7.8538 7.8538 12.0752 12.0752 12.2652 12.2652 12.2684 12.2684 k = 0.0882 0.0509 0.0360 ( 1501 PWs) bands (ev): -24.6081 -24.6081 -17.1430 -17.1430 -8.0580 -8.0580 -7.7938 -7.7938 -7.7817 -7.7817 1.4207 1.4207 1.4839 1.4839 1.5062 1.5062 7.8991 7.8991 12.0492 12.0492 12.2867 12.2867 12.2900 12.2900 k = 0.0980 0.0566 0.0400 ( 1516 PWs) bands (ev): -24.6065 -24.6065 -17.1445 -17.1445 -8.0601 -8.0601 -7.7972 -7.7972 -7.7824 -7.7824 1.4074 1.4074 1.4750 1.4750 1.5001 1.5001 7.9493 7.9493 12.0214 12.0214 12.3106 12.3106 12.3138 12.3138 k = 0.1078 0.0623 0.0440 ( 1516 PWs) bands (ev): -24.6048 -24.6048 -17.1461 -17.1461 -8.0624 -8.0624 -7.8007 -7.8007 -7.7831 -7.7831 1.3925 1.3925 1.4660 1.4660 1.4934 1.4934 8.0041 8.0041 11.9923 11.9923 12.3367 12.3367 12.3400 12.3400 k = 0.1176 0.0679 0.0480 ( 1516 PWs) bands (ev): -24.6029 -24.6029 -17.1478 -17.1478 -8.0649 -8.0649 -7.8045 -7.8045 -7.7839 -7.7839 1.3760 1.3760 1.4569 1.4569 1.4862 1.4862 8.0634 8.0634 11.9620 11.9620 12.3650 12.3650 12.3683 12.3683 k = 0.1275 0.0736 0.0520 ( 1522 PWs) bands (ev): -24.6009 -24.6009 -17.1496 -17.1496 -8.0677 -8.0677 -7.8085 -7.8085 -7.7847 -7.7847 1.3581 1.3581 1.4477 1.4477 1.4785 1.4785 8.1269 8.1269 11.9310 11.9310 12.3953 12.3953 12.3987 12.3987 k = 0.1373 0.0792 0.0560 ( 1522 PWs) bands (ev): -24.5988 -24.5988 -17.1516 -17.1516 -8.0706 -8.0706 -7.8127 -7.8127 -7.7855 -7.7855 1.3389 1.3389 1.4383 1.4383 1.4703 1.4703 8.1946 8.1946 11.8996 11.8996 12.4276 12.4276 12.4310 12.4310 k = 0.1471 0.0849 0.0600 ( 1528 PWs) bands (ev): -24.5966 -24.5966 -17.1537 -17.1537 -8.0738 -8.0738 -7.8171 -7.8171 -7.7864 -7.7864 1.3186 1.3186 1.4287 1.4287 1.4617 1.4617 8.2661 8.2661 11.8681 11.8681 12.4618 12.4618 12.4652 12.4652 k = 0.1569 0.0906 0.0640 ( 1528 PWs) bands (ev): -24.5943 -24.5943 -17.1558 -17.1558 -8.0772 -8.0772 -7.8216 -7.8216 -7.7874 -7.7874 1.2974 1.2974 1.4190 1.4190 1.4527 1.4527 8.3413 8.3413 11.8368 11.8368 12.4976 12.4976 12.5011 12.5011 k = 0.1667 0.0962 0.0680 ( 1525 PWs) bands (ev): -24.5918 -24.5918 -17.1581 -17.1581 -8.0808 -8.0808 -7.8261 -7.8261 -7.7884 -7.7884 1.2754 1.2754 1.4091 1.4091 1.4434 1.4434 8.4199 8.4199 11.8060 11.8060 12.5351 12.5351 12.5386 12.5386 k = 0.1765 0.1019 0.0720 ( 1528 PWs) bands (ev): -24.5893 -24.5893 -17.1604 -17.1604 -8.0846 -8.0846 -7.8308 -7.8308 -7.7894 -7.7894 1.2528 1.2528 1.3989 1.3989 1.4338 1.4338 8.5016 8.5016 11.7759 11.7759 12.5740 12.5740 12.5775 12.5775 k = 0.1863 0.1075 0.0760 ( 1528 PWs) bands (ev): -24.5867 -24.5867 -17.1628 -17.1628 -8.0886 -8.0886 -7.8356 -7.8356 -7.7904 -7.7904 1.2297 1.2297 1.3887 1.3887 1.4239 1.4239 8.5863 8.5863 11.7469 11.7469 12.6141 12.6141 12.6178 12.6178 k = 0.1961 0.1132 0.0800 ( 1528 PWs) bands (ev): -24.5840 -24.5840 -17.1653 -17.1653 -8.0928 -8.0928 -7.8403 -7.8403 -7.7915 -7.7915 1.2062 1.2062 1.3782 1.3782 1.4137 1.4137 8.6737 8.6737 11.7191 11.7191 12.6554 12.6554 12.6591 12.6591 k = 0.2059 0.1189 0.0841 ( 1528 PWs) bands (ev): -24.5813 -24.5813 -17.1678 -17.1678 -8.0972 -8.0972 -7.8451 -7.8451 -7.7925 -7.7925 1.1824 1.1824 1.3676 1.3676 1.4034 1.4034 8.7634 8.7634 11.6928 11.6928 12.6976 12.6976 12.7013 12.7013 k = 0.2157 0.1245 0.0881 ( 1534 PWs) bands (ev): -24.5785 -24.5785 -17.1704 -17.1704 -8.1017 -8.1017 -7.8499 -7.8499 -7.7936 -7.7936 1.1585 1.1585 1.3570 1.3570 1.3928 1.3928 8.8551 8.8551 11.6683 11.6683 12.7404 12.7404 12.7442 12.7442 k = 0.2255 0.1302 0.0921 ( 1534 PWs) bands (ev): -24.5756 -24.5756 -17.1730 -17.1730 -8.1064 -8.1064 -7.8546 -7.8546 -7.7948 -7.7948 1.1345 1.1345 1.3462 1.3462 1.3822 1.3822 8.9486 8.9486 11.6457 11.6457 12.7838 12.7838 12.7877 12.7877 k = 0.2353 0.1358 0.0961 ( 1534 PWs) bands (ev): -24.5728 -24.5728 -17.1757 -17.1757 -8.1113 -8.1113 -7.8592 -7.8592 -7.7959 -7.7959 1.1106 1.1106 1.3354 1.3354 1.3715 1.3715 9.0436 9.0436 11.6253 11.6253 12.8276 12.8276 12.8315 12.8315 k = 0.2451 0.1415 0.1001 ( 1531 PWs) bands (ev): -24.5699 -24.5699 -17.1783 -17.1783 -8.1163 -8.1163 -7.8637 -7.8637 -7.7970 -7.7970 1.0868 1.0868 1.3247 1.3247 1.3608 1.3608 9.1395 9.1395 11.6073 11.6073 12.8714 12.8714 12.8753 12.8753 k = 0.2549 0.1472 0.1041 ( 1531 PWs) bands (ev): -24.5670 -24.5670 -17.1810 -17.1810 -8.1213 -8.1213 -7.8682 -7.8682 -7.7981 -7.7981 1.0632 1.0632 1.3139 1.3139 1.3501 1.3501 9.2361 9.2361 11.5919 11.5919 12.9151 12.9151 12.9191 12.9191 k = 0.2647 0.1528 0.1081 ( 1537 PWs) bands (ev): -24.5641 -24.5641 -17.1837 -17.1837 -8.1265 -8.1265 -7.8725 -7.8725 -7.7993 -7.7993 1.0400 1.0400 1.3032 1.3032 1.3394 1.3394 9.3328 9.3328 11.5793 11.5793 12.9584 12.9584 12.9625 12.9625 k = 0.2745 0.1585 0.1121 ( 1537 PWs) bands (ev): -24.5612 -24.5612 -17.1863 -17.1863 -8.1318 -8.1318 -7.8768 -7.8768 -7.8004 -7.8004 1.0171 1.0171 1.2927 1.2927 1.3288 1.3288 9.4293 9.4293 11.5697 11.5697 13.0012 13.0012 13.0053 13.0053 k = 0.2843 0.1641 0.1161 ( 1525 PWs) bands (ev): -24.5583 -24.5583 -17.1889 -17.1889 -8.1370 -8.1370 -7.8808 -7.8808 -7.8015 -7.8015 0.9947 0.9947 1.2822 1.2822 1.3184 1.3184 9.5250 9.5250 11.5635 11.5635 13.0433 13.0433 13.0474 13.0474 k = 0.2941 0.1698 0.1201 ( 1528 PWs) bands (ev): -24.5555 -24.5555 -17.1916 -17.1916 -8.1423 -8.1423 -7.8847 -7.8847 -7.8025 -7.8025 0.9729 0.9729 1.2720 1.2720 1.3081 1.3081 9.6193 9.6193 11.5607 11.5607 13.0844 13.0844 13.0885 13.0885 k = 0.3039 0.1755 0.1241 ( 1528 PWs) bands (ev): -24.5528 -24.5528 -17.1941 -17.1941 -8.1476 -8.1476 -7.8884 -7.8884 -7.8036 -7.8036 0.9516 0.9516 1.2620 1.2620 1.2980 1.2980 9.7117 9.7117 11.5618 11.5618 13.1243 13.1243 13.1284 13.1284 k = 0.3137 0.1811 0.1281 ( 1534 PWs) bands (ev): -24.5500 -24.5500 -17.1966 -17.1966 -8.1529 -8.1529 -7.8920 -7.8920 -7.8047 -7.8047 0.9310 0.9310 1.2522 1.2522 1.2882 1.2882 9.8016 9.8016 11.5669 11.5669 13.1630 13.1630 13.1671 13.1671 k = 0.3235 0.1868 0.1321 ( 1534 PWs) bands (ev): -24.5474 -24.5474 -17.1991 -17.1991 -8.1581 -8.1581 -7.8954 -7.8954 -7.8057 -7.8057 0.9111 0.9111 1.2426 1.2426 1.2786 1.2786 9.8883 9.8883 11.5763 11.5763 13.2001 13.2001 13.2042 13.2042 k = 0.3333 0.1925 0.1361 ( 1528 PWs) bands (ev): -24.5448 -24.5448 -17.2015 -17.2015 -8.1632 -8.1632 -7.8986 -7.8986 -7.8066 -7.8066 0.8920 0.8920 1.2335 1.2335 1.2693 1.2693 9.9711 9.9711 11.5902 11.5902 13.2357 13.2357 13.2398 13.2398 k = 0.3431 0.1981 0.1401 ( 1534 PWs) bands (ev): -24.5423 -24.5423 -17.2038 -17.2038 -8.1682 -8.1682 -7.9017 -7.9017 -7.8076 -7.8076 0.8737 0.8737 1.2246 1.2246 1.2604 1.2604 10.0495 10.0495 11.6088 11.6088 13.2696 13.2696 13.2736 13.2736 k = 0.3529 0.2038 0.1441 ( 1534 PWs) bands (ev): -24.5400 -24.5400 -17.2060 -17.2060 -8.1730 -8.1730 -7.9045 -7.9045 -7.8085 -7.8085 0.8563 0.8563 1.2161 1.2161 1.2519 1.2519 10.1228 10.1228 11.6321 11.6321 13.3017 13.3017 13.3056 13.3056 k = 0.3627 0.2094 0.1481 ( 1528 PWs) bands (ev): -24.5377 -24.5377 -17.2081 -17.2081 -8.1776 -8.1776 -7.9072 -7.9072 -7.8094 -7.8094 0.8398 0.8398 1.2080 1.2080 1.2437 1.2437 10.1906 10.1906 11.6600 11.6600 13.3318 13.3318 13.3357 13.3357 k = 0.3725 0.2151 0.1521 ( 1522 PWs) bands (ev): -24.5355 -24.5355 -17.2100 -17.2100 -8.1821 -8.1821 -7.9096 -7.9096 -7.8102 -7.8102 0.8243 0.8243 1.2004 1.2004 1.2360 1.2360 10.2526 10.2526 11.6922 11.6922 13.3601 13.3601 13.3639 13.3639 k = 0.3824 0.2208 0.1561 ( 1525 PWs) bands (ev): -24.5335 -24.5335 -17.2119 -17.2119 -8.1863 -8.1863 -7.9120 -7.9120 -7.8110 -7.8110 0.8098 0.8098 1.1932 1.1932 1.2288 1.2288 10.3084 10.3084 11.7283 11.7283 13.3863 13.3863 13.3900 13.3900 k = 0.3922 0.2264 0.1601 ( 1531 PWs) bands (ev): -24.5316 -24.5316 -17.2137 -17.2137 -8.1904 -8.1904 -7.9141 -7.9141 -7.8117 -7.8117 0.7963 0.7963 1.1865 1.1865 1.2220 1.2220 10.3581 10.3581 11.7676 11.7676 13.4105 13.4105 13.4141 13.4141 k = 0.4020 0.2321 0.1641 ( 1537 PWs) bands (ev): -24.5298 -24.5298 -17.2154 -17.2154 -8.1941 -8.1941 -7.9160 -7.9160 -7.8124 -7.8124 0.7838 0.7838 1.1803 1.1803 1.2157 1.2157 10.4018 10.4018 11.8093 11.8093 13.4325 13.4325 13.4361 13.4361 k = 0.4118 0.2377 0.1681 ( 1531 PWs) bands (ev): -24.5282 -24.5282 -17.2169 -17.2169 -8.1975 -8.1975 -7.9177 -7.9177 -7.8130 -7.8130 0.7725 0.7725 1.1747 1.1747 1.2100 1.2100 10.4398 10.4398 11.8522 11.8522 13.4526 13.4526 13.4560 13.4560 k = 0.4216 0.2434 0.1721 ( 1531 PWs) bands (ev): -24.5267 -24.5267 -17.2182 -17.2182 -8.2007 -8.2007 -7.9193 -7.9193 -7.8136 -7.8136 0.7623 0.7623 1.1695 1.1695 1.2049 1.2049 10.4724 10.4724 11.8953 11.8953 13.4705 13.4705 13.4739 13.4739 k = 0.4314 0.2491 0.1761 ( 1531 PWs) bands (ev): -24.5254 -24.5254 -17.2194 -17.2194 -8.2035 -8.2035 -7.9207 -7.9207 -7.8141 -7.8141 0.7532 0.7532 1.1650 1.1650 1.2002 1.2002 10.4999 10.4999 11.9372 11.9372 13.4863 13.4863 13.4896 13.4896 k = 0.4412 0.2547 0.1801 ( 1532 PWs) bands (ev): -24.5243 -24.5243 -17.2205 -17.2205 -8.2059 -8.2059 -7.9218 -7.9218 -7.8145 -7.8145 0.7453 0.7453 1.1610 1.1610 1.1962 1.1962 10.5227 10.5227 11.9768 11.9768 13.5000 13.5000 13.5032 13.5032 k = 0.4510 0.2604 0.1841 ( 1532 PWs) bands (ev): -24.5233 -24.5233 -17.2214 -17.2214 -8.2081 -8.2081 -7.9228 -7.9228 -7.8149 -7.8149 0.7386 0.7386 1.1576 1.1576 1.1928 1.1928 10.5414 10.5414 12.0127 12.0127 13.5116 13.5116 13.5148 13.5148 k = 0.4608 0.2660 0.1881 ( 1532 PWs) bands (ev): -24.5225 -24.5225 -17.2221 -17.2221 -8.2098 -8.2098 -7.9237 -7.9237 -7.8152 -7.8152 0.7331 0.7331 1.1548 1.1548 1.1900 1.1900 10.5561 10.5561 12.0438 12.0438 13.5210 13.5210 13.5242 13.5242 k = 0.4706 0.2717 0.1921 ( 1532 PWs) bands (ev): -24.5218 -24.5218 -17.2227 -17.2227 -8.2111 -8.2111 -7.9243 -7.9243 -7.8154 -7.8154 0.7288 0.7288 1.1526 1.1526 1.1878 1.1878 10.5673 10.5673 12.0692 12.0692 13.5284 13.5284 13.5315 13.5315 k = 0.4804 0.2774 0.1961 ( 1538 PWs) bands (ev): -24.5214 -24.5214 -17.2232 -17.2232 -8.2121 -8.2121 -7.9248 -7.9248 -7.8156 -7.8156 0.7257 0.7257 1.1510 1.1510 1.1862 1.1862 10.5751 10.5751 12.0880 12.0880 13.5336 13.5336 13.5367 13.5367 k = 0.4902 0.2830 0.2001 ( 1538 PWs) bands (ev): -24.5211 -24.5211 -17.2234 -17.2234 -8.2127 -8.2127 -7.9251 -7.9251 -7.8157 -7.8157 0.7239 0.7239 1.1501 1.1501 1.1852 1.1852 10.5797 10.5797 12.0995 12.0995 13.5368 13.5368 13.5398 13.5398 k = 0.5000 0.2887 0.2041 ( 1538 PWs) bands (ev): -24.5210 -24.5210 -17.2235 -17.2235 -8.2129 -8.2129 -7.9251 -7.9251 -7.8157 -7.8157 0.7233 0.7233 1.1498 1.1498 1.1849 1.1849 10.5812 10.5812 12.1034 12.1034 13.5378 13.5378 13.5409 13.5409 k = 0.5000 0.2887 0.2041 ( 1538 PWs) bands (ev): -24.5210 -24.5210 -17.2235 -17.2235 -8.2129 -8.2129 -7.9251 -7.9251 -7.8157 -7.8157 0.7233 0.7233 1.1498 1.1498 1.1849 1.1849 10.5812 10.5812 12.1034 12.1034 13.5378 13.5378 13.5409 13.5409 k = 0.5035 0.2787 0.2098 ( 1538 PWs) bands (ev): -24.5210 -24.5210 -17.2234 -17.2234 -8.2131 -8.2131 -7.9254 -7.9254 -7.8161 -7.8161 0.7239 0.7239 1.1500 1.1500 1.1851 1.1851 10.5822 10.5822 12.1015 12.1015 13.5379 13.5379 13.5416 13.5416 k = 0.5069 0.2686 0.2155 ( 1530 PWs) bands (ev): -24.5209 -24.5209 -17.2232 -17.2232 -8.2135 -8.2135 -7.9262 -7.9262 -7.8170 -7.8170 0.7260 0.7260 1.1507 1.1507 1.1858 1.1858 10.5850 10.5850 12.0960 12.0960 13.5366 13.5366 13.5452 13.5452 k = 0.5104 0.2586 0.2211 ( 1526 PWs) bands (ev): -24.5207 -24.5207 -17.2229 -17.2229 -8.2142 -8.2142 -7.9276 -7.9276 -7.8187 -7.8187 0.7294 0.7294 1.1518 1.1518 1.1868 1.1868 10.5896 10.5896 12.0869 12.0869 13.5336 13.5336 13.5520 13.5520 k = 0.5139 0.2486 0.2268 ( 1525 PWs) bands (ev): -24.5205 -24.5205 -17.2225 -17.2225 -8.2153 -8.2153 -7.9295 -7.9295 -7.8209 -7.8209 0.7341 0.7341 1.1533 1.1533 1.1883 1.1883 10.5961 10.5961 12.0744 12.0744 13.5290 13.5290 13.5617 13.5617 k = 0.5174 0.2386 0.2325 ( 1529 PWs) bands (ev): -24.5202 -24.5202 -17.2219 -17.2219 -8.2166 -8.2166 -7.9320 -7.9320 -7.8238 -7.8238 0.7400 0.7400 1.1551 1.1551 1.1902 1.1902 10.6043 10.6043 12.0587 12.0587 13.5228 13.5228 13.5740 13.5740 k = 0.5208 0.2285 0.2381 ( 1529 PWs) bands (ev): -24.5199 -24.5199 -17.2212 -17.2212 -8.2183 -8.2183 -7.9350 -7.9350 -7.8272 -7.8272 0.7473 0.7473 1.1574 1.1574 1.1925 1.1925 10.6143 10.6143 12.0400 12.0400 13.5149 13.5149 13.5892 13.5892 k = 0.5243 0.2185 0.2438 ( 1531 PWs) bands (ev): -24.5194 -24.5194 -17.2204 -17.2204 -8.2202 -8.2202 -7.9386 -7.9386 -7.8310 -7.8310 0.7556 0.7556 1.1601 1.1601 1.1952 1.1952 10.6259 10.6259 12.0187 12.0187 13.5052 13.5052 13.6071 13.6071 k = 0.5278 0.2085 0.2495 ( 1535 PWs) bands (ev): -24.5190 -24.5190 -17.2195 -17.2195 -8.2225 -8.2225 -7.9428 -7.9428 -7.8353 -7.8353 0.7651 0.7651 1.1631 1.1631 1.1983 1.1983 10.6391 10.6391 11.9950 11.9950 13.4934 13.4934 13.6277 13.6277 k = 0.5312 0.1985 0.2552 ( 1534 PWs) bands (ev): -24.5185 -24.5185 -17.2185 -17.2185 -8.2251 -8.2251 -7.9475 -7.9475 -7.8399 -7.8399 0.7757 0.7757 1.1665 1.1665 1.2018 1.2018 10.6537 10.6537 11.9694 11.9694 13.4796 13.4796 13.6509 13.6509 k = 0.5347 0.1884 0.2608 ( 1534 PWs) bands (ev): -24.5179 -24.5179 -17.2174 -17.2174 -8.2280 -8.2280 -7.9527 -7.9527 -7.8447 -7.8447 0.7872 0.7872 1.1701 1.1701 1.2058 1.2058 10.6696 10.6696 11.9422 11.9422 13.4635 13.4635 13.6769 13.6769 k = 0.5382 0.1784 0.2665 ( 1536 PWs) bands (ev): -24.5173 -24.5173 -17.2161 -17.2161 -8.2313 -8.2313 -7.9585 -7.9585 -7.8498 -7.8498 0.7997 0.7997 1.1741 1.1741 1.2101 1.2101 10.6867 10.6867 11.9139 11.9139 13.4453 13.4453 13.7054 13.7054 k = 0.5417 0.1684 0.2722 ( 1536 PWs) bands (ev): -24.5166 -24.5166 -17.2148 -17.2148 -8.2350 -8.2350 -7.9647 -7.9647 -7.8550 -7.8550 0.8129 0.8129 1.1783 1.1783 1.2148 1.2148 10.7046 10.7046 11.8849 11.8849 13.4250 13.4250 13.7365 13.7365 k = 0.5451 0.1584 0.2778 ( 1532 PWs) bands (ev): -24.5159 -24.5159 -17.2134 -17.2134 -8.2389 -8.2389 -7.9713 -7.9713 -7.8603 -7.8603 0.8268 0.8268 1.1828 1.1828 1.2198 1.2198 10.7231 10.7231 11.8557 11.8557 13.4025 13.4025 13.7702 13.7702 k = 0.5486 0.1483 0.2835 ( 1536 PWs) bands (ev): -24.5151 -24.5151 -17.2120 -17.2120 -8.2433 -8.2433 -7.9783 -7.9783 -7.8657 -7.8657 0.8414 0.8414 1.1875 1.1875 1.2252 1.2252 10.7419 10.7419 11.8270 11.8270 13.3781 13.3781 13.8064 13.8064 k = 0.5521 0.1383 0.2892 ( 1537 PWs) bands (ev): -24.5144 -24.5144 -17.2105 -17.2105 -8.2480 -8.2480 -7.9857 -7.9857 -7.8710 -7.8710 0.8565 0.8565 1.1924 1.1924 1.2309 1.2309 10.7605 10.7605 11.7993 11.7993 13.3517 13.3517 13.8451 13.8451 k = 0.5556 0.1283 0.2948 ( 1539 PWs) bands (ev): -24.5136 -24.5136 -17.2089 -17.2089 -8.2532 -8.2532 -7.9932 -7.9932 -7.8763 -7.8763 0.8720 0.8720 1.1974 1.1974 1.2368 1.2368 10.7783 10.7783 11.7733 11.7733 13.3236 13.3236 13.8861 13.8861 k = 0.5590 0.1183 0.3005 ( 1543 PWs) bands (ev): -24.5127 -24.5127 -17.2073 -17.2073 -8.2587 -8.2587 -8.0009 -8.0009 -7.8816 -7.8816 0.8879 0.8879 1.2027 1.2027 1.2430 1.2430 10.7948 10.7948 11.7499 11.7499 13.2940 13.2940 13.9294 13.9294 k = 0.5625 0.1083 0.3062 ( 1541 PWs) bands (ev): -24.5119 -24.5119 -17.2056 -17.2056 -8.2645 -8.2645 -8.0086 -8.0086 -7.8868 -7.8868 0.9040 0.9040 1.2080 1.2080 1.2494 1.2494 10.8093 10.8093 11.7298 11.7298 13.2629 13.2629 13.9751 13.9751 k = 0.5660 0.0982 0.3119 ( 1547 PWs) bands (ev): -24.5110 -24.5110 -17.2039 -17.2039 -8.2708 -8.2708 -8.0163 -8.0163 -7.8920 -7.8920 0.9204 0.9204 1.2135 1.2135 1.2558 1.2558 10.8209 10.8209 11.7140 11.7140 13.2305 13.2305 14.0228 14.0228 k = 0.5694 0.0882 0.3175 ( 1541 PWs) bands (ev): -24.5102 -24.5102 -17.2021 -17.2021 -8.2773 -8.2773 -8.0238 -8.0238 -7.8970 -7.8970 0.9368 0.9368 1.2192 1.2192 1.2624 1.2624 10.8290 10.8290 11.7034 11.7034 13.1970 13.1970 14.0728 14.0728 k = 0.5729 0.0782 0.3232 ( 1541 PWs) bands (ev): -24.5093 -24.5093 -17.2004 -17.2004 -8.2842 -8.2842 -8.0312 -8.0312 -7.9019 -7.9019 0.9532 0.9532 1.2249 1.2249 1.2690 1.2690 10.8327 10.8327 11.6987 11.6987 13.1625 13.1625 14.1246 14.1246 k = 0.5764 0.0682 0.3289 ( 1541 PWs) bands (ev): -24.5084 -24.5084 -17.1987 -17.1987 -8.2914 -8.2914 -8.0383 -8.0383 -7.9068 -7.9068 0.9697 0.9697 1.2307 1.2307 1.2755 1.2755 10.8316 10.8316 11.7005 11.7005 13.1270 13.1270 14.1783 14.1783 k = 0.5799 0.0581 0.3345 ( 1541 PWs) bands (ev): -24.5076 -24.5076 -17.1969 -17.1969 -8.2988 -8.2988 -8.0451 -8.0451 -7.9115 -7.9115 0.9860 0.9860 1.2366 1.2366 1.2819 1.2819 10.8255 10.8255 11.7092 11.7092 13.0907 13.0907 14.2338 14.2338 k = 0.5833 0.0481 0.3402 ( 1539 PWs) bands (ev): -24.5068 -24.5068 -17.1952 -17.1952 -8.3064 -8.3064 -8.0515 -8.0515 -7.9161 -7.9161 1.0021 1.0021 1.2425 1.2425 1.2882 1.2882 10.8142 10.8142 11.7248 11.7248 13.0537 13.0537 14.2909 14.2909 k = 0.5868 0.0381 0.3459 ( 1541 PWs) bands (ev): -24.5060 -24.5060 -17.1935 -17.1935 -8.3142 -8.3142 -8.0576 -8.0576 -7.9205 -7.9205 1.0181 1.0181 1.2485 1.2485 1.2941 1.2941 10.7982 10.7982 11.7471 11.7471 13.0158 13.0158 14.3494 14.3494 k = 0.5903 0.0281 0.3515 ( 1537 PWs) bands (ev): -24.5052 -24.5052 -17.1918 -17.1918 -8.3220 -8.3220 -8.0632 -8.0632 -7.9248 -7.9248 1.0338 1.0338 1.2546 1.2546 1.2998 1.2998 10.7778 10.7778 11.7755 11.7755 12.9772 12.9772 14.4092 14.4092 k = 0.5938 0.0180 0.3572 ( 1541 PWs) bands (ev): -24.5044 -24.5044 -17.1901 -17.1901 -8.3298 -8.3298 -8.0683 -8.0683 -7.9290 -7.9290 1.0493 1.0493 1.2606 1.2606 1.3051 1.3051 10.7537 10.7537 11.8094 11.8094 12.9378 12.9378 14.4700 14.4700 k = 0.5972 0.0080 0.3629 ( 1542 PWs) bands (ev): -24.5037 -24.5037 -17.1885 -17.1885 -8.3375 -8.3375 -8.0731 -8.0731 -7.9330 -7.9330 1.0644 1.0644 1.2667 1.2667 1.3099 1.3099 10.7266 10.7266 11.8481 11.8481 12.8977 12.8977 14.5316 14.5316 k = 0.6007-0.0020 0.3686 ( 1539 PWs) bands (ev): -24.5031 -24.5031 -17.1870 -17.1870 -8.3450 -8.3450 -8.0773 -8.0773 -7.9369 -7.9369 1.0792 1.0792 1.2727 1.2727 1.3143 1.3143 10.6971 10.6971 11.8909 11.8909 12.8567 12.8567 14.5939 14.5939 k = 0.6042-0.0120 0.3742 ( 1543 PWs) bands (ev): -24.5025 -24.5025 -17.1855 -17.1855 -8.3523 -8.3523 -8.0812 -8.0812 -7.9405 -7.9405 1.0937 1.0937 1.2787 1.2787 1.3181 1.3181 10.6658 10.6658 11.9370 11.9370 12.8148 12.8148 14.6564 14.6564 k = 0.6076-0.0221 0.3799 ( 1546 PWs) bands (ev): -24.5019 -24.5019 -17.1840 -17.1840 -8.3593 -8.3593 -8.0846 -8.0846 -7.9440 -7.9440 1.1078 1.1078 1.2845 1.2845 1.3214 1.3214 10.6333 10.6333 11.9857 11.9857 12.7721 12.7721 14.7190 14.7190 k = 0.6111-0.0321 0.3856 ( 1546 PWs) bands (ev): -24.5014 -24.5014 -17.1827 -17.1827 -8.3659 -8.3659 -8.0876 -8.0876 -7.9473 -7.9473 1.1215 1.1215 1.2902 1.2902 1.3242 1.3242 10.6000 10.6000 12.0361 12.0361 12.7288 12.7288 14.7812 14.7812 k = 0.6146-0.0421 0.3912 ( 1548 PWs) bands (ev): -24.5010 -24.5010 -17.1814 -17.1814 -8.3720 -8.3720 -8.0902 -8.0902 -7.9504 -7.9504 1.1348 1.1348 1.2957 1.2957 1.3265 1.3265 10.5664 10.5664 12.0874 12.0874 12.6851 12.6851 14.8426 14.8426 k = 0.6181-0.0521 0.3969 ( 1548 PWs) bands (ev): -24.5007 -24.5007 -17.1801 -17.1801 -8.3776 -8.3776 -8.0923 -8.0923 -7.9532 -7.9532 1.1476 1.1476 1.3007 1.3007 1.3285 1.3285 10.5328 10.5328 12.1381 12.1381 12.6418 12.6418 14.9027 14.9027 k = 0.6215-0.0621 0.4026 ( 1548 PWs) bands (ev): -24.5004 -24.5004 -17.1790 -17.1790 -8.3827 -8.3827 -8.0941 -8.0941 -7.9558 -7.9558 1.1600 1.1600 1.3051 1.3051 1.3304 1.3304 10.4996 10.4996 12.1862 12.1862 12.6006 12.6006 14.9604 14.9604 k = 0.6250-0.0722 0.4082 ( 1556 PWs) bands (ev): -24.5002 -24.5002 -17.1779 -17.1779 -8.3871 -8.3871 -8.0955 -8.0955 -7.9582 -7.9582 1.1719 1.1719 1.3084 1.3084 1.3326 1.3326 10.4669 10.4669 12.2277 12.2277 12.5649 12.5649 15.0004 15.0004 k = 0.6250-0.0722 0.4082 ( 1556 PWs) bands (ev): -24.5002 -24.5002 -17.1779 -17.1779 -8.3871 -8.3871 -8.0955 -8.0955 -7.9582 -7.9582 1.1719 1.1719 1.3084 1.3084 1.3326 1.3326 10.4669 10.4669 12.2277 12.2277 12.5649 12.5649 15.0004 15.0004 k = 0.6190-0.0687 0.4180 ( 1551 PWs) bands (ev): -24.5002 -24.5002 -17.1779 -17.1779 -8.3870 -8.3870 -8.0960 -8.0960 -7.9578 -7.9578 1.1714 1.1714 1.3086 1.3086 1.3329 1.3329 10.4690 10.4690 12.2241 12.2241 12.5655 12.5655 14.9996 14.9996 k = 0.6131-0.0653 0.4277 ( 1543 PWs) bands (ev): -24.5002 -24.5002 -17.1779 -17.1779 -8.3867 -8.3867 -8.0975 -8.0975 -7.9568 -7.9568 1.1700 1.1700 1.3093 1.3093 1.3336 1.3336 10.4750 10.4750 12.2133 12.2133 12.5672 12.5672 14.9972 14.9972 k = 0.6071-0.0619 0.4374 ( 1545 PWs) bands (ev): -24.5001 -24.5001 -17.1779 -17.1779 -8.3863 -8.3863 -8.0999 -8.0999 -7.9553 -7.9553 1.1677 1.1677 1.3104 1.3104 1.3347 1.3347 10.4851 10.4851 12.1956 12.1956 12.5701 12.5701 14.9932 14.9932 k = 0.6012-0.0584 0.4471 ( 1545 PWs) bands (ev): -24.5000 -24.5000 -17.1779 -17.1779 -8.3858 -8.3858 -8.1032 -8.1032 -7.9532 -7.9532 1.1646 1.1646 1.3118 1.3118 1.3363 1.3363 10.4992 10.4992 12.1713 12.1713 12.5740 12.5740 14.9877 14.9877 k = 0.5952-0.0550 0.4568 ( 1545 PWs) bands (ev): -24.4999 -24.4999 -17.1779 -17.1779 -8.3851 -8.3851 -8.1072 -8.1072 -7.9508 -7.9508 1.1609 1.1609 1.3133 1.3133 1.3383 1.3383 10.5171 10.5171 12.1408 12.1408 12.5790 12.5790 14.9807 14.9807 k = 0.5893-0.0515 0.4666 ( 1545 PWs) bands (ev): -24.4998 -24.4998 -17.1779 -17.1779 -8.3843 -8.3843 -8.1118 -8.1118 -7.9481 -7.9481 1.1568 1.1568 1.3149 1.3149 1.3406 1.3406 10.5390 10.5390 12.1047 12.1047 12.5849 12.5849 14.9725 14.9725 k = 0.5833-0.0481 0.4763 ( 1549 PWs) bands (ev): -24.4997 -24.4997 -17.1779 -17.1779 -8.3834 -8.3834 -8.1167 -8.1167 -7.9453 -7.9453 1.1523 1.1523 1.3166 1.3166 1.3432 1.3432 10.5647 10.5647 12.0635 12.0635 12.5917 12.5917 14.9631 14.9631 k = 0.5774-0.0447 0.4860 ( 1546 PWs) bands (ev): -24.4995 -24.4995 -17.1779 -17.1779 -8.3824 -8.3824 -8.1220 -8.1220 -7.9424 -7.9424 1.1476 1.1476 1.3183 1.3183 1.3460 1.3460 10.5941 10.5941 12.0179 12.0179 12.5993 12.5993 14.9529 14.9529 k = 0.5714-0.0412 0.4957 ( 1544 PWs) bands (ev): -24.4994 -24.4994 -17.1779 -17.1779 -8.3813 -8.3813 -8.1274 -8.1274 -7.9395 -7.9395 1.1428 1.1428 1.3201 1.3201 1.3487 1.3487 10.6271 10.6271 11.9683 11.9683 12.6075 12.6075 14.9418 14.9418 k = 0.5655-0.0378 0.5055 ( 1541 PWs) bands (ev): -24.4992 -24.4992 -17.1779 -17.1779 -8.3802 -8.3802 -8.1328 -8.1328 -7.9366 -7.9366 1.1380 1.1380 1.3219 1.3219 1.3515 1.3515 10.6636 10.6636 11.9154 11.9154 12.6163 12.6163 14.9303 14.9303 k = 0.5595-0.0344 0.5152 ( 1543 PWs) bands (ev): -24.4990 -24.4990 -17.1779 -17.1779 -8.3791 -8.3791 -8.1382 -8.1382 -7.9339 -7.9339 1.1333 1.1333 1.3236 1.3236 1.3540 1.3540 10.7035 10.7035 11.8597 11.8597 12.6254 12.6254 14.9184 14.9184 k = 0.5536-0.0309 0.5249 ( 1547 PWs) bands (ev): -24.4988 -24.4988 -17.1780 -17.1780 -8.3780 -8.3780 -8.1433 -8.1433 -7.9315 -7.9315 1.1289 1.1289 1.3255 1.3255 1.3563 1.3563 10.7467 10.7467 11.8017 11.8017 12.6346 12.6346 14.9065 14.9065 k = 0.5476-0.0275 0.5346 ( 1547 PWs) bands (ev): -24.4987 -24.4987 -17.1780 -17.1780 -8.3770 -8.3770 -8.1482 -8.1482 -7.9292 -7.9292 1.1247 1.1247 1.3273 1.3273 1.3583 1.3583 10.7929 10.7929 11.7419 11.7419 12.6439 12.6439 14.8947 14.8947 k = 0.5417-0.0241 0.5443 ( 1551 PWs) bands (ev): -24.4985 -24.4985 -17.1780 -17.1780 -8.3760 -8.3760 -8.1528 -8.1528 -7.9272 -7.9272 1.1209 1.1209 1.3292 1.3292 1.3599 1.3599 10.8419 10.8419 11.6807 11.6807 12.6529 12.6529 14.8834 14.8834 k = 0.5357-0.0206 0.5541 ( 1552 PWs) bands (ev): -24.4983 -24.4983 -17.1780 -17.1780 -8.3751 -8.3751 -8.1569 -8.1569 -7.9254 -7.9254 1.1174 1.1174 1.3312 1.3312 1.3611 1.3611 10.8936 10.8936 11.6186 11.6186 12.6614 12.6614 14.8728 14.8728 k = 0.5298-0.0172 0.5638 ( 1552 PWs) bands (ev): -24.4982 -24.4982 -17.1780 -17.1780 -8.3744 -8.3744 -8.1605 -8.1605 -7.9239 -7.9239 1.1145 1.1145 1.3331 1.3331 1.3618 1.3618 10.9477 10.9477 11.5558 11.5558 12.6691 12.6691 14.8632 14.8632 k = 0.5238-0.0137 0.5735 ( 1552 PWs) bands (ev): -24.4980 -24.4980 -17.1780 -17.1780 -8.3738 -8.3738 -8.1635 -8.1635 -7.9227 -7.9227 1.1120 1.1120 1.3350 1.3350 1.3622 1.3622 11.0040 11.0040 11.4927 11.4927 12.6760 12.6760 14.8549 14.8549 k = 0.5179-0.0103 0.5832 ( 1552 PWs) bands (ev): -24.4979 -24.4979 -17.1780 -17.1780 -8.3733 -8.3733 -8.1658 -8.1658 -7.9217 -7.9217 1.1100 1.1100 1.3367 1.3367 1.3622 1.3622 11.0620 11.0620 11.4296 11.4296 12.6815 12.6815 14.8481 14.8481 k = 0.5119-0.0069 0.5929 ( 1552 PWs) bands (ev): -24.4978 -24.4978 -17.1780 -17.1780 -8.3730 -8.3730 -8.1676 -8.1676 -7.9211 -7.9211 1.1085 1.1085 1.3383 1.3383 1.3619 1.3619 11.1214 11.1214 11.3668 11.3668 12.6857 12.6857 14.8430 14.8430 k = 0.5060-0.0034 0.6027 ( 1554 PWs) bands (ev): -24.4978 -24.4978 -17.1780 -17.1780 -8.3728 -8.3728 -8.1686 -8.1686 -7.9207 -7.9207 1.1076 1.1076 1.3394 1.3394 1.3615 1.3615 11.1819 11.1819 11.3045 11.3045 12.6883 12.6883 14.8398 14.8398 k = 0.5000-0.0000 0.6124 ( 1564 PWs) bands (ev): -24.4978 -24.4978 -17.1780 -17.1780 -8.3728 -8.3728 -8.1690 -8.1690 -7.9206 -7.9206 1.1073 1.1073 1.3398 1.3398 1.3613 1.3613 11.2406 11.2406 11.2453 11.2453 12.6891 12.6891 14.8387 14.8387 k = 0.5000-0.0000 0.6124 ( 1564 PWs) bands (ev): -24.4978 -24.4978 -17.1780 -17.1780 -8.3728 -8.3728 -8.1690 -8.1690 -7.9206 -7.9206 1.1073 1.1073 1.3398 1.3398 1.3613 1.3613 11.2406 11.2406 11.2453 11.2453 12.6891 12.6891 14.8387 14.8387 k = 0.5000 0.0069 0.6027 ( 1552 PWs) bands (ev): -24.4978 -24.4978 -17.1781 -17.1781 -8.3725 -8.3725 -8.1686 -8.1686 -7.9205 -7.9205 1.1070 1.1070 1.3395 1.3395 1.3610 1.3610 11.2404 11.2404 11.2454 11.2454 12.6904 12.6904 14.8395 14.8395 k = 0.5000 0.0137 0.5929 ( 1552 PWs) bands (ev): -24.4979 -24.4979 -17.1783 -17.1783 -8.3716 -8.3716 -8.1676 -8.1676 -7.9204 -7.9204 1.1060 1.1060 1.3384 1.3384 1.3601 1.3601 11.2385 11.2385 11.2471 11.2471 12.6943 12.6943 14.8416 14.8416 k = 0.5000 0.0206 0.5832 ( 1552 PWs) bands (ev): -24.4981 -24.4981 -17.1786 -17.1786 -8.3701 -8.3701 -8.1659 -8.1659 -7.9201 -7.9201 1.1042 1.1042 1.3366 1.3366 1.3585 1.3585 11.2342 11.2342 11.2510 11.2510 12.7008 12.7008 14.8448 14.8448 k = 0.5000 0.0275 0.5735 ( 1552 PWs) bands (ev): -24.4983 -24.4983 -17.1790 -17.1790 -8.3680 -8.3680 -8.1636 -8.1636 -7.9198 -7.9198 1.1018 1.1018 1.3342 1.3342 1.3564 1.3564 11.2279 11.2279 11.2569 11.2569 12.7099 12.7099 14.8489 14.8489 k = 0.5000 0.0344 0.5638 ( 1552 PWs) bands (ev): -24.4986 -24.4986 -17.1796 -17.1796 -8.3654 -8.3654 -8.1606 -8.1606 -7.9194 -7.9194 1.0986 1.0986 1.3310 1.3310 1.3537 1.3537 11.2197 11.2197 11.2646 11.2646 12.7214 12.7214 14.8530 14.8530 k = 0.5000 0.0412 0.5541 ( 1552 PWs) bands (ev): -24.4989 -24.4989 -17.1803 -17.1803 -8.3623 -8.3623 -8.1570 -8.1570 -7.9188 -7.9188 1.0947 1.0947 1.3272 1.3272 1.3505 1.3505 11.2097 11.2097 11.2739 11.2739 12.7353 12.7353 14.8564 14.8564 k = 0.5000 0.0481 0.5443 ( 1550 PWs) bands (ev): -24.4993 -24.4993 -17.1811 -17.1811 -8.3586 -8.3586 -8.1527 -8.1527 -7.9182 -7.9182 1.0901 1.0901 1.3227 1.3227 1.3469 1.3469 11.1980 11.1980 11.2850 11.2850 12.7517 12.7517 14.8574 14.8574 k = 0.5000 0.0550 0.5346 ( 1548 PWs) bands (ev): -24.4998 -24.4998 -17.1820 -17.1820 -8.3545 -8.3545 -8.1478 -8.1478 -7.9174 -7.9174 1.0847 1.0847 1.3177 1.3177 1.3428 1.3428 11.1847 11.1847 11.2977 11.2977 12.7703 12.7703 14.8539 14.8539 k = 0.5000 0.0619 0.5249 ( 1548 PWs) bands (ev): -24.5003 -24.5003 -17.1830 -17.1830 -8.3499 -8.3499 -8.1423 -8.1423 -7.9165 -7.9165 1.0785 1.0785 1.3120 1.3120 1.3384 1.3384 11.1699 11.1699 11.3121 11.3121 12.7911 12.7911 14.8427 14.8427 k = 0.5000 0.0687 0.5152 ( 1552 PWs) bands (ev): -24.5009 -24.5009 -17.1841 -17.1841 -8.3450 -8.3450 -8.1363 -8.1363 -7.9155 -7.9155 1.0715 1.0715 1.3059 1.3059 1.3336 1.3336 11.1536 11.1536 11.3281 11.3281 12.8139 12.8139 14.8207 14.8207 k = 0.5000 0.0756 0.5055 ( 1552 PWs) bands (ev): -24.5015 -24.5015 -17.1854 -17.1854 -8.3397 -8.3397 -8.1297 -8.1297 -7.9143 -7.9143 1.0637 1.0637 1.2994 1.2994 1.3286 1.3286 11.1360 11.1360 11.3456 11.3456 12.8387 12.8387 14.7859 14.7859 k = 0.5000 0.0825 0.4957 ( 1550 PWs) bands (ev): -24.5022 -24.5022 -17.1867 -17.1867 -8.3341 -8.3341 -8.1225 -8.1225 -7.9130 -7.9130 1.0551 1.0551 1.2926 1.2926 1.3232 1.3232 11.1171 11.1171 11.3647 11.3647 12.8653 12.8653 14.7389 14.7389 k = 0.5000 0.0894 0.4860 ( 1544 PWs) bands (ev): -24.5029 -24.5029 -17.1880 -17.1880 -8.3283 -8.3283 -8.1149 -8.1149 -7.9115 -7.9115 1.0457 1.0457 1.2855 1.2855 1.3176 1.3176 11.0971 11.0971 11.3854 11.3854 12.8936 12.8936 14.6825 14.6825 k = 0.5000 0.0962 0.4763 ( 1544 PWs) bands (ev): -24.5036 -24.5036 -17.1895 -17.1895 -8.3222 -8.3222 -8.1069 -8.1069 -7.9098 -7.9098 1.0355 1.0355 1.2782 1.2782 1.3117 1.3117 11.0761 11.0761 11.4075 11.4075 12.9233 12.9233 14.6199 14.6199 k = 0.5000 0.1031 0.4666 ( 1544 PWs) bands (ev): -24.5044 -24.5044 -17.1910 -17.1910 -8.3161 -8.3161 -8.0984 -8.0984 -7.9080 -7.9080 1.0245 1.0245 1.2709 1.2709 1.3057 1.3057 11.0541 11.0541 11.4309 11.4309 12.9543 12.9543 14.5539 14.5539 k = 0.5000 0.1100 0.4568 ( 1548 PWs) bands (ev): -24.5052 -24.5052 -17.1926 -17.1926 -8.3098 -8.3098 -8.0896 -8.0896 -7.9059 -7.9059 1.0127 1.0127 1.2635 1.2635 1.2994 1.2994 11.0313 11.0313 11.4557 11.4557 12.9864 12.9864 14.4864 14.4864 k = 0.5000 0.1168 0.4471 ( 1540 PWs) bands (ev): -24.5060 -24.5060 -17.1942 -17.1942 -8.3034 -8.3034 -8.0805 -8.0805 -7.9037 -7.9037 1.0002 1.0002 1.2562 1.2562 1.2931 1.2931 11.0080 11.0080 11.4818 11.4818 13.0195 13.0195 14.4188 14.4188 k = 0.5000 0.1237 0.4374 ( 1540 PWs) bands (ev): -24.5068 -24.5068 -17.1958 -17.1958 -8.2971 -8.2971 -8.0711 -8.0711 -7.9012 -7.9012 0.9871 0.9871 1.2489 1.2489 1.2866 1.2866 10.9840 10.9840 11.5091 11.5091 13.0532 13.0532 14.3520 14.3520 k = 0.5000 0.1306 0.4277 ( 1536 PWs) bands (ev): -24.5077 -24.5077 -17.1975 -17.1975 -8.2908 -8.2908 -8.0616 -8.0616 -7.8985 -7.8985 0.9733 0.9733 1.2418 1.2418 1.2800 1.2800 10.9597 10.9597 11.5375 11.5375 13.0874 13.0874 14.2867 14.2867 k = 0.5000 0.1375 0.4180 ( 1536 PWs) bands (ev): -24.5086 -24.5086 -17.1992 -17.1992 -8.2846 -8.2846 -8.0519 -8.0519 -7.8956 -7.8956 0.9591 0.9591 1.2349 1.2349 1.2735 1.2735 10.9351 10.9351 11.5668 11.5668 13.1219 13.1219 14.2233 14.2233 k = 0.5000 0.1443 0.4082 ( 1536 PWs) bands (ev): -24.5094 -24.5094 -17.2009 -17.2009 -8.2786 -8.2786 -8.0422 -8.0422 -7.8924 -7.8924 0.9444 0.9444 1.2282 1.2282 1.2669 1.2669 10.9104 10.9104 11.5971 11.5971 13.1563 13.1563 14.1622 14.1622 k = 0.5000 0.1512 0.3985 ( 1536 PWs) bands (ev): -24.5103 -24.5103 -17.2026 -17.2026 -8.2727 -8.2727 -8.0325 -8.0325 -7.8890 -7.8890 0.9294 0.9294 1.2216 1.2216 1.2604 1.2604 10.8856 10.8856 11.6281 11.6281 13.1904 13.1904 14.1037 14.1037 k = 0.5000 0.1581 0.3888 ( 1540 PWs) bands (ev): -24.5112 -24.5112 -17.2043 -17.2043 -8.2670 -8.2670 -8.0230 -8.0230 -7.8853 -7.8853 0.9142 0.9142 1.2153 1.2153 1.2539 1.2539 10.8611 10.8611 11.6598 11.6598 13.2240 13.2240 14.0478 14.0478 k = 0.5000 0.1650 0.3791 ( 1540 PWs) bands (ev): -24.5120 -24.5120 -17.2059 -17.2059 -8.2615 -8.2615 -8.0136 -8.0136 -7.8814 -7.8814 0.8988 0.8988 1.2092 1.2092 1.2476 1.2476 10.8368 10.8368 11.6919 11.6919 13.2568 13.2568 13.9947 13.9947 k = 0.5000 0.1718 0.3694 ( 1540 PWs) bands (ev): -24.5129 -24.5129 -17.2076 -17.2076 -8.2562 -8.2562 -8.0044 -8.0044 -7.8772 -7.8772 0.8835 0.8835 1.2034 1.2034 1.2414 1.2414 10.8130 10.8130 11.7244 11.7244 13.2886 13.2886 13.9446 13.9446 k = 0.5000 0.1787 0.3596 ( 1538 PWs) bands (ev): -24.5137 -24.5137 -17.2092 -17.2092 -8.2513 -8.2513 -7.9956 -7.9956 -7.8729 -7.8729 0.8683 0.8683 1.1978 1.1978 1.2354 1.2354 10.7897 10.7897 11.7570 11.7570 13.3190 13.3190 13.8974 13.8974 k = 0.5000 0.1856 0.3499 ( 1538 PWs) bands (ev): -24.5145 -24.5145 -17.2107 -17.2107 -8.2466 -8.2466 -7.9872 -7.9872 -7.8683 -7.8683 0.8534 0.8534 1.1925 1.1925 1.2296 1.2296 10.7671 10.7671 11.7895 11.7895 13.3479 13.3479 13.8532 13.8532 k = 0.5000 0.1925 0.3402 ( 1532 PWs) bands (ev): -24.5152 -24.5152 -17.2122 -17.2122 -8.2422 -8.2422 -7.9791 -7.9791 -7.8635 -7.8635 0.8388 0.8388 1.1874 1.1874 1.2242 1.2242 10.7453 10.7453 11.8218 11.8218 13.3751 13.3751 13.8121 13.8121 k = 0.5000 0.1993 0.3305 ( 1536 PWs) bands (ev): -24.5160 -24.5160 -17.2136 -17.2136 -8.2381 -8.2381 -7.9717 -7.9717 -7.8587 -7.8587 0.8246 0.8246 1.1826 1.1826 1.2190 1.2190 10.7245 10.7245 11.8537 11.8537 13.4003 13.4003 13.7738 13.7738 k = 0.5000 0.2062 0.3208 ( 1530 PWs) bands (ev): -24.5167 -24.5167 -17.2150 -17.2150 -8.2343 -8.2343 -7.9647 -7.9647 -7.8538 -7.8538 0.8110 0.8110 1.1781 1.1781 1.2141 1.2141 10.7047 10.7047 11.8848 11.8848 13.4235 13.4235 13.7386 13.7386 k = 0.5000 0.2131 0.3110 ( 1532 PWs) bands (ev): -24.5173 -24.5173 -17.2163 -17.2163 -8.2308 -8.2308 -7.9583 -7.9583 -7.8489 -7.8489 0.7981 0.7981 1.1738 1.1738 1.2095 1.2095 10.6860 10.6860 11.9149 11.9149 13.4444 13.4444 13.7063 13.7063 k = 0.5000 0.2199 0.3013 ( 1528 PWs) bands (ev): -24.5179 -24.5179 -17.2175 -17.2175 -8.2276 -8.2276 -7.9524 -7.9524 -7.8440 -7.8440 0.7860 0.7860 1.1699 1.1699 1.2053 1.2053 10.6687 10.6687 11.9438 11.9438 13.4630 13.4630 13.6770 13.6770 k = 0.5000 0.2268 0.2916 ( 1526 PWs) bands (ev): -24.5185 -24.5185 -17.2186 -17.2186 -8.2248 -8.2248 -7.9471 -7.9471 -7.8393 -7.8393 0.7747 0.7747 1.1662 1.1662 1.2015 1.2015 10.6527 10.6527 11.9712 11.9712 13.4794 13.4794 13.6506 13.6506 k = 0.5000 0.2337 0.2819 ( 1530 PWs) bands (ev): -24.5190 -24.5190 -17.2196 -17.2196 -8.2223 -8.2223 -7.9425 -7.9425 -7.8349 -7.8349 0.7643 0.7643 1.1629 1.1629 1.1980 1.1980 10.6381 10.6381 11.9967 11.9967 13.4934 13.4934 13.6271 13.6271 k = 0.5000 0.2406 0.2722 ( 1530 PWs) bands (ev): -24.5195 -24.5195 -17.2205 -17.2205 -8.2201 -8.2201 -7.9384 -7.9384 -7.8307 -7.8307 0.7550 0.7550 1.1599 1.1599 1.1950 1.1950 10.6251 10.6251 12.0201 12.0201 13.5053 13.5053 13.6064 13.6064 k = 0.5000 0.2474 0.2624 ( 1526 PWs) bands (ev): -24.5199 -24.5199 -17.2212 -17.2212 -8.2181 -8.2181 -7.9348 -7.9348 -7.8269 -7.8269 0.7468 0.7468 1.1573 1.1573 1.1923 1.1923 10.6136 10.6136 12.0412 12.0412 13.5152 13.5152 13.5886 13.5886 k = 0.5000 0.2543 0.2527 ( 1526 PWs) bands (ev): -24.5202 -24.5202 -17.2219 -17.2219 -8.2165 -8.2165 -7.9318 -7.9318 -7.8236 -7.8236 0.7397 0.7397 1.1550 1.1550 1.1901 1.1901 10.6038 10.6038 12.0595 12.0595 13.5231 13.5231 13.5735 13.5735 k = 0.5000 0.2612 0.2430 ( 1524 PWs) bands (ev): -24.5205 -24.5205 -17.2225 -17.2225 -8.2152 -8.2152 -7.9294 -7.9294 -7.8208 -7.8208 0.7339 0.7339 1.1532 1.1532 1.1882 1.1882 10.5958 10.5958 12.0750 12.0750 13.5292 13.5292 13.5613 13.5613 k = 0.5000 0.2681 0.2333 ( 1524 PWs) bands (ev): -24.5207 -24.5207 -17.2229 -17.2229 -8.2142 -8.2142 -7.9275 -7.9275 -7.8186 -7.8186 0.7292 0.7292 1.1517 1.1517 1.1868 1.1868 10.5894 10.5894 12.0872 12.0872 13.5337 13.5337 13.5518 13.5518 k = 0.5000 0.2749 0.2236 ( 1530 PWs) bands (ev): -24.5209 -24.5209 -17.2232 -17.2232 -8.2135 -8.2135 -7.9262 -7.9262 -7.8170 -7.8170 0.7259 0.7259 1.1507 1.1507 1.1857 1.1857 10.5849 10.5849 12.0961 12.0961 13.5367 13.5367 13.5451 13.5451 k = 0.5000 0.2818 0.2138 ( 1538 PWs) bands (ev): -24.5210 -24.5210 -17.2234 -17.2234 -8.2131 -8.2131 -7.9254 -7.9254 -7.8161 -7.8161 0.7239 0.7239 1.1500 1.1500 1.1851 1.1851 10.5821 10.5821 12.1015 12.1015 13.5379 13.5379 13.5415 13.5415 k = 0.5000 0.2887 0.2041 ( 1538 PWs) bands (ev): -24.5210 -24.5210 -17.2235 -17.2235 -8.2129 -8.2129 -7.9251 -7.9251 -7.8157 -7.8157 0.7233 0.7233 1.1498 1.1498 1.1849 1.1849 10.5812 10.5812 12.1034 12.1034 13.5378 13.5378 13.5409 13.5409 k = 0.5000 0.2887 0.2041 ( 1538 PWs) bands (ev): -24.5210 -24.5210 -17.2235 -17.2235 -8.2129 -8.2129 -7.9251 -7.9251 -7.8157 -7.8157 0.7233 0.7233 1.1498 1.1498 1.1849 1.1849 10.5812 10.5812 12.1034 12.1034 13.5378 13.5378 13.5409 13.5409 k = 0.4965 0.2867 0.2155 ( 1538 PWs) bands (ev): -24.5210 -24.5210 -17.2234 -17.2234 -8.2131 -8.2131 -7.9254 -7.9254 -7.8161 -7.8161 0.7239 0.7239 1.1500 1.1500 1.1851 1.1851 10.5822 10.5822 12.1015 12.1015 13.5379 13.5379 13.5416 13.5416 k = 0.4931 0.2847 0.2268 ( 1530 PWs) bands (ev): -24.5209 -24.5209 -17.2232 -17.2232 -8.2135 -8.2135 -7.9262 -7.9262 -7.8170 -7.8170 0.7260 0.7260 1.1507 1.1507 1.1858 1.1858 10.5850 10.5850 12.0960 12.0960 13.5366 13.5366 13.5452 13.5452 k = 0.4896 0.2827 0.2381 ( 1526 PWs) bands (ev): -24.5207 -24.5207 -17.2229 -17.2229 -8.2142 -8.2142 -7.9276 -7.9276 -7.8187 -7.8187 0.7294 0.7294 1.1518 1.1518 1.1868 1.1868 10.5896 10.5896 12.0869 12.0869 13.5336 13.5336 13.5520 13.5520 k = 0.4861 0.2807 0.2495 ( 1525 PWs) bands (ev): -24.5205 -24.5205 -17.2225 -17.2225 -8.2153 -8.2153 -7.9295 -7.9295 -7.8209 -7.8209 0.7341 0.7341 1.1533 1.1533 1.1883 1.1883 10.5961 10.5961 12.0744 12.0744 13.5290 13.5290 13.5617 13.5617 k = 0.4826 0.2787 0.2608 ( 1529 PWs) bands (ev): -24.5202 -24.5202 -17.2219 -17.2219 -8.2166 -8.2166 -7.9320 -7.9320 -7.8238 -7.8238 0.7400 0.7400 1.1551 1.1551 1.1902 1.1902 10.6043 10.6043 12.0587 12.0587 13.5228 13.5228 13.5740 13.5740 k = 0.4792 0.2766 0.2722 ( 1529 PWs) bands (ev): -24.5199 -24.5199 -17.2212 -17.2212 -8.2183 -8.2183 -7.9350 -7.9350 -7.8272 -7.8272 0.7473 0.7473 1.1574 1.1574 1.1925 1.1925 10.6143 10.6143 12.0400 12.0400 13.5149 13.5149 13.5892 13.5892 k = 0.4757 0.2746 0.2835 ( 1531 PWs) bands (ev): -24.5194 -24.5194 -17.2204 -17.2204 -8.2202 -8.2202 -7.9386 -7.9386 -7.8310 -7.8310 0.7556 0.7556 1.1601 1.1601 1.1952 1.1952 10.6259 10.6259 12.0187 12.0187 13.5052 13.5052 13.6071 13.6071 k = 0.4722 0.2726 0.2948 ( 1535 PWs) bands (ev): -24.5190 -24.5190 -17.2195 -17.2195 -8.2225 -8.2225 -7.9428 -7.9428 -7.8353 -7.8353 0.7651 0.7651 1.1631 1.1631 1.1983 1.1983 10.6391 10.6391 11.9950 11.9950 13.4934 13.4934 13.6277 13.6277 k = 0.4688 0.2706 0.3062 ( 1534 PWs) bands (ev): -24.5185 -24.5185 -17.2185 -17.2185 -8.2251 -8.2251 -7.9475 -7.9475 -7.8399 -7.8399 0.7757 0.7757 1.1665 1.1665 1.2018 1.2018 10.6537 10.6537 11.9694 11.9694 13.4796 13.4796 13.6509 13.6509 k = 0.4653 0.2686 0.3175 ( 1534 PWs) bands (ev): -24.5179 -24.5179 -17.2174 -17.2174 -8.2280 -8.2280 -7.9527 -7.9527 -7.8447 -7.8447 0.7872 0.7872 1.1701 1.1701 1.2058 1.2058 10.6696 10.6696 11.9422 11.9422 13.4635 13.4635 13.6769 13.6769 k = 0.4618 0.2666 0.3289 ( 1536 PWs) bands (ev): -24.5173 -24.5173 -17.2161 -17.2161 -8.2313 -8.2313 -7.9585 -7.9585 -7.8498 -7.8498 0.7997 0.7997 1.1741 1.1741 1.2101 1.2101 10.6867 10.6867 11.9139 11.9139 13.4453 13.4453 13.7054 13.7054 k = 0.4583 0.2646 0.3402 ( 1536 PWs) bands (ev): -24.5166 -24.5166 -17.2148 -17.2148 -8.2350 -8.2350 -7.9647 -7.9647 -7.8550 -7.8550 0.8129 0.8129 1.1783 1.1783 1.2148 1.2148 10.7046 10.7046 11.8849 11.8849 13.4250 13.4250 13.7365 13.7365 k = 0.4549 0.2626 0.3515 ( 1532 PWs) bands (ev): -24.5159 -24.5159 -17.2134 -17.2134 -8.2389 -8.2389 -7.9713 -7.9713 -7.8603 -7.8603 0.8268 0.8268 1.1828 1.1828 1.2198 1.2198 10.7231 10.7231 11.8557 11.8557 13.4025 13.4025 13.7702 13.7702 k = 0.4514 0.2606 0.3629 ( 1536 PWs) bands (ev): -24.5151 -24.5151 -17.2120 -17.2120 -8.2433 -8.2433 -7.9783 -7.9783 -7.8657 -7.8657 0.8414 0.8414 1.1875 1.1875 1.2252 1.2252 10.7419 10.7419 11.8270 11.8270 13.3781 13.3781 13.8064 13.8064 k = 0.4479 0.2586 0.3742 ( 1537 PWs) bands (ev): -24.5144 -24.5144 -17.2105 -17.2105 -8.2480 -8.2480 -7.9857 -7.9857 -7.8710 -7.8710 0.8565 0.8565 1.1924 1.1924 1.2309 1.2309 10.7605 10.7605 11.7993 11.7993 13.3517 13.3517 13.8451 13.8451 k = 0.4444 0.2566 0.3856 ( 1539 PWs) bands (ev): -24.5136 -24.5136 -17.2089 -17.2089 -8.2532 -8.2532 -7.9932 -7.9932 -7.8763 -7.8763 0.8720 0.8720 1.1974 1.1974 1.2368 1.2368 10.7783 10.7783 11.7733 11.7733 13.3236 13.3236 13.8861 13.8861 k = 0.4410 0.2546 0.3969 ( 1543 PWs) bands (ev): -24.5127 -24.5127 -17.2073 -17.2073 -8.2587 -8.2587 -8.0009 -8.0009 -7.8816 -7.8816 0.8879 0.8879 1.2027 1.2027 1.2430 1.2430 10.7948 10.7948 11.7499 11.7499 13.2940 13.2940 13.9294 13.9294 k = 0.4375 0.2526 0.4082 ( 1541 PWs) bands (ev): -24.5119 -24.5119 -17.2056 -17.2056 -8.2645 -8.2645 -8.0086 -8.0086 -7.8868 -7.8868 0.9040 0.9040 1.2080 1.2080 1.2494 1.2494 10.8093 10.8093 11.7298 11.7298 13.2629 13.2629 13.9751 13.9751 k = 0.4340 0.2506 0.4196 ( 1547 PWs) bands (ev): -24.5110 -24.5110 -17.2039 -17.2039 -8.2708 -8.2708 -8.0163 -8.0163 -7.8920 -7.8920 0.9204 0.9204 1.2135 1.2135 1.2558 1.2558 10.8209 10.8209 11.7140 11.7140 13.2305 13.2305 14.0228 14.0228 k = 0.4306 0.2486 0.4309 ( 1541 PWs) bands (ev): -24.5102 -24.5102 -17.2021 -17.2021 -8.2773 -8.2773 -8.0238 -8.0238 -7.8970 -7.8970 0.9368 0.9368 1.2192 1.2192 1.2624 1.2624 10.8290 10.8290 11.7034 11.7034 13.1970 13.1970 14.0728 14.0728 k = 0.4271 0.2466 0.4423 ( 1541 PWs) bands (ev): -24.5093 -24.5093 -17.2004 -17.2004 -8.2842 -8.2842 -8.0312 -8.0312 -7.9019 -7.9019 0.9532 0.9532 1.2249 1.2249 1.2690 1.2690 10.8327 10.8327 11.6987 11.6987 13.1625 13.1625 14.1246 14.1246 k = 0.4236 0.2446 0.4536 ( 1541 PWs) bands (ev): -24.5084 -24.5084 -17.1987 -17.1987 -8.2914 -8.2914 -8.0383 -8.0383 -7.9068 -7.9068 0.9697 0.9697 1.2307 1.2307 1.2755 1.2755 10.8316 10.8316 11.7005 11.7005 13.1270 13.1270 14.1783 14.1783 k = 0.4201 0.2426 0.4649 ( 1541 PWs) bands (ev): -24.5076 -24.5076 -17.1969 -17.1969 -8.2988 -8.2988 -8.0451 -8.0451 -7.9115 -7.9115 0.9860 0.9860 1.2366 1.2366 1.2819 1.2819 10.8255 10.8255 11.7092 11.7092 13.0907 13.0907 14.2338 14.2338 k = 0.4167 0.2406 0.4763 ( 1539 PWs) bands (ev): -24.5068 -24.5068 -17.1952 -17.1952 -8.3064 -8.3064 -8.0515 -8.0515 -7.9161 -7.9161 1.0021 1.0021 1.2425 1.2425 1.2882 1.2882 10.8142 10.8142 11.7248 11.7248 13.0537 13.0537 14.2909 14.2909 k = 0.4132 0.2386 0.4876 ( 1541 PWs) bands (ev): -24.5060 -24.5060 -17.1935 -17.1935 -8.3142 -8.3142 -8.0576 -8.0576 -7.9205 -7.9205 1.0181 1.0181 1.2485 1.2485 1.2941 1.2941 10.7982 10.7982 11.7471 11.7471 13.0158 13.0158 14.3494 14.3494 k = 0.4097 0.2366 0.4990 ( 1537 PWs) bands (ev): -24.5052 -24.5052 -17.1918 -17.1918 -8.3220 -8.3220 -8.0632 -8.0632 -7.9248 -7.9248 1.0338 1.0338 1.2546 1.2546 1.2998 1.2998 10.7778 10.7778 11.7755 11.7755 12.9772 12.9772 14.4092 14.4092 k = 0.4062 0.2345 0.5103 ( 1541 PWs) bands (ev): -24.5044 -24.5044 -17.1901 -17.1901 -8.3298 -8.3298 -8.0683 -8.0683 -7.9290 -7.9290 1.0493 1.0493 1.2606 1.2606 1.3051 1.3051 10.7537 10.7537 11.8094 11.8094 12.9378 12.9378 14.4700 14.4700 k = 0.4028 0.2325 0.5217 ( 1542 PWs) bands (ev): -24.5037 -24.5037 -17.1885 -17.1885 -8.3375 -8.3375 -8.0731 -8.0731 -7.9330 -7.9330 1.0644 1.0644 1.2667 1.2667 1.3099 1.3099 10.7266 10.7266 11.8481 11.8481 12.8977 12.8977 14.5316 14.5316 k = 0.3993 0.2305 0.5330 ( 1539 PWs) bands (ev): -24.5031 -24.5031 -17.1870 -17.1870 -8.3450 -8.3450 -8.0773 -8.0773 -7.9369 -7.9369 1.0792 1.0792 1.2727 1.2727 1.3143 1.3143 10.6971 10.6971 11.8909 11.8909 12.8567 12.8567 14.5939 14.5939 k = 0.3958 0.2285 0.5443 ( 1543 PWs) bands (ev): -24.5025 -24.5025 -17.1855 -17.1855 -8.3523 -8.3523 -8.0812 -8.0812 -7.9405 -7.9405 1.0937 1.0937 1.2787 1.2787 1.3181 1.3181 10.6658 10.6658 11.9370 11.9370 12.8148 12.8148 14.6564 14.6564 k = 0.3924 0.2265 0.5557 ( 1546 PWs) bands (ev): -24.5019 -24.5019 -17.1840 -17.1840 -8.3593 -8.3593 -8.0846 -8.0846 -7.9440 -7.9440 1.1078 1.1078 1.2845 1.2845 1.3214 1.3214 10.6333 10.6333 11.9857 11.9857 12.7721 12.7721 14.7190 14.7190 k = 0.3889 0.2245 0.5670 ( 1546 PWs) bands (ev): -24.5014 -24.5014 -17.1827 -17.1827 -8.3659 -8.3659 -8.0876 -8.0876 -7.9473 -7.9473 1.1215 1.1215 1.2902 1.2902 1.3242 1.3242 10.6000 10.6000 12.0361 12.0361 12.7288 12.7288 14.7812 14.7812 k = 0.3854 0.2225 0.5784 ( 1548 PWs) bands (ev): -24.5010 -24.5010 -17.1814 -17.1814 -8.3720 -8.3720 -8.0902 -8.0902 -7.9504 -7.9504 1.1348 1.1348 1.2957 1.2957 1.3265 1.3265 10.5664 10.5664 12.0874 12.0874 12.6851 12.6851 14.8426 14.8426 k = 0.3819 0.2205 0.5897 ( 1548 PWs) bands (ev): -24.5007 -24.5007 -17.1801 -17.1801 -8.3776 -8.3776 -8.0923 -8.0923 -7.9532 -7.9532 1.1476 1.1476 1.3007 1.3007 1.3285 1.3285 10.5328 10.5328 12.1381 12.1381 12.6418 12.6418 14.9027 14.9027 k = 0.3785 0.2185 0.6010 ( 1548 PWs) bands (ev): -24.5004 -24.5004 -17.1790 -17.1790 -8.3827 -8.3827 -8.0941 -8.0941 -7.9558 -7.9558 1.1600 1.1600 1.3051 1.3051 1.3304 1.3304 10.4996 10.4996 12.1862 12.1862 12.6006 12.6006 14.9604 14.9604 k = 0.3750 0.2165 0.6124 ( 1556 PWs) bands (ev): -24.5002 -24.5002 -17.1779 -17.1779 -8.3871 -8.3871 -8.0955 -8.0955 -7.9582 -7.9582 1.1719 1.1719 1.3084 1.3084 1.3326 1.3326 10.4669 10.4669 12.2277 12.2277 12.5649 12.5649 15.0004 15.0004 k = 0.6250-0.0722 0.4082 ( 1556 PWs) bands (ev): -24.5002 -24.5002 -17.1779 -17.1779 -8.3871 -8.3871 -8.0955 -8.0955 -7.9582 -7.9582 1.1719 1.1719 1.3084 1.3084 1.3326 1.3326 10.4669 10.4669 12.2277 12.2277 12.5649 12.5649 15.0004 15.0004 k = 0.6190-0.0825 0.4082 ( 1550 PWs) bands (ev): -24.5000 -24.5000 -17.1761 -17.1761 -8.3940 -8.3940 -8.0974 -8.0974 -7.9619 -7.9619 1.1918 1.1918 1.3117 1.3117 1.3384 1.3384 10.4115 10.4115 12.2902 12.2902 12.5113 12.5113 15.0039 15.0039 k = 0.6131-0.0928 0.4082 ( 1550 PWs) bands (ev): -24.4999 -24.4999 -17.1744 -17.1744 -8.4007 -8.4007 -8.0993 -8.0993 -7.9654 -7.9654 1.2114 1.2114 1.3130 1.3130 1.3463 1.3463 10.3561 10.3561 12.3536 12.3536 12.4570 12.4570 15.0067 15.0067 k = 0.6071-0.1031 0.4082 ( 1550 PWs) bands (ev): -24.4998 -24.4998 -17.1726 -17.1726 -8.4072 -8.4072 -8.1011 -8.1011 -7.9687 -7.9687 1.2306 1.2306 1.3135 1.3135 1.3553 1.3553 10.3011 10.3011 12.4007 12.4007 12.4199 12.4199 15.0089 15.0089 k = 0.6012-0.1134 0.4082 ( 1554 PWs) bands (ev): -24.4997 -24.4997 -17.1709 -17.1709 -8.4134 -8.4134 -8.1028 -8.1028 -7.9717 -7.9717 1.2491 1.2491 1.3140 1.3140 1.3648 1.3648 10.2469 10.2469 12.3478 12.3478 12.4838 12.4838 15.0105 15.0105 k = 0.5952-0.1237 0.4082 ( 1552 PWs) bands (ev): -24.4996 -24.4996 -17.1692 -17.1692 -8.4194 -8.4194 -8.1044 -8.1044 -7.9745 -7.9745 1.2663 1.2663 1.3150 1.3150 1.3745 1.3745 10.1939 10.1939 12.2945 12.2945 12.5494 12.5494 15.0117 15.0117 k = 0.5893-0.1340 0.4082 ( 1548 PWs) bands (ev): -24.4996 -24.4996 -17.1676 -17.1676 -8.4251 -8.4251 -8.1059 -8.1059 -7.9770 -7.9770 1.2812 1.2812 1.3178 1.3178 1.3841 1.3841 10.1426 10.1426 12.2423 12.2423 12.6153 12.6153 15.0125 15.0125 k = 0.5833-0.1443 0.4082 ( 1542 PWs) bands (ev): -24.4997 -24.4997 -17.1660 -17.1660 -8.4305 -8.4305 -8.1074 -8.1074 -7.9793 -7.9793 1.2918 1.2918 1.3242 1.3242 1.3936 1.3936 10.0932 10.0932 12.1918 12.1918 12.6811 12.6811 15.0129 15.0129 k = 0.5774-0.1546 0.4082 ( 1546 PWs) bands (ev): -24.4997 -24.4997 -17.1645 -17.1645 -8.4357 -8.4357 -8.1088 -8.1088 -7.9813 -7.9813 1.2972 1.2972 1.3349 1.3349 1.4029 1.4029 10.0460 10.0460 12.1433 12.1433 12.7466 12.7466 15.0129 15.0129 k = 0.5714-0.1650 0.4082 ( 1550 PWs) bands (ev): -24.4998 -24.4998 -17.1630 -17.1630 -8.4405 -8.4405 -8.1102 -8.1102 -7.9831 -7.9831 1.2994 1.2994 1.3479 1.3479 1.4119 1.4119 10.0012 10.0012 12.0971 12.0971 12.8112 12.8112 15.0127 15.0127 k = 0.5655-0.1753 0.4082 ( 1558 PWs) bands (ev): -24.4999 -24.4999 -17.1617 -17.1617 -8.4450 -8.4450 -8.1115 -8.1115 -7.9848 -7.9848 1.3002 1.3002 1.3612 1.3612 1.4207 1.4207 9.9592 9.9592 12.0536 12.0536 12.8747 12.8747 15.0122 15.0122 k = 0.5595-0.1856 0.4082 ( 1558 PWs) bands (ev): -24.4999 -24.4999 -17.1604 -17.1604 -8.4491 -8.4491 -8.1128 -8.1128 -7.9862 -7.9862 1.3005 1.3005 1.3741 1.3741 1.4291 1.4291 9.9202 9.9202 12.0130 12.0130 12.9364 12.9364 15.0116 15.0116 k = 0.5536-0.1959 0.4082 ( 1558 PWs) bands (ev): -24.5000 -24.5000 -17.1592 -17.1592 -8.4529 -8.4529 -8.1139 -8.1139 -7.9874 -7.9874 1.3004 1.3004 1.3859 1.3859 1.4372 1.4372 9.8843 9.8843 11.9755 11.9755 12.9958 12.9958 15.0110 15.0110 k = 0.5476-0.2062 0.4082 ( 1558 PWs) bands (ev): -24.5001 -24.5001 -17.1581 -17.1581 -8.4563 -8.4563 -8.1150 -8.1150 -7.9884 -7.9884 1.3003 1.3003 1.3966 1.3966 1.4448 1.4448 9.8517 9.8517 11.9415 11.9415 13.0522 13.0522 15.0102 15.0102 k = 0.5417-0.2165 0.4082 ( 1558 PWs) bands (ev): -24.5002 -24.5002 -17.1572 -17.1572 -8.4593 -8.4593 -8.1159 -8.1159 -7.9892 -7.9892 1.3001 1.3001 1.4060 1.4060 1.4519 1.4519 9.8226 9.8226 11.9110 11.9110 13.1050 13.1050 15.0094 15.0094 k = 0.5357-0.2268 0.4082 ( 1558 PWs) bands (ev): -24.5003 -24.5003 -17.1563 -17.1563 -8.4620 -8.4620 -8.1168 -8.1168 -7.9899 -7.9899 1.2999 1.2999 1.4141 1.4141 1.4585 1.4585 9.7971 9.7971 11.8842 11.8842 13.1533 13.1533 15.0087 15.0087 k = 0.5298-0.2371 0.4082 ( 1558 PWs) bands (ev): -24.5004 -24.5004 -17.1556 -17.1556 -8.4642 -8.4642 -8.1175 -8.1175 -7.9905 -7.9905 1.2997 1.2997 1.4208 1.4208 1.4643 1.4643 9.7754 9.7754 11.8613 11.8613 13.1962 13.1962 15.0080 15.0080 k = 0.5238-0.2474 0.4082 ( 1558 PWs) bands (ev): -24.5004 -24.5004 -17.1550 -17.1550 -8.4661 -8.4661 -8.1181 -8.1181 -7.9909 -7.9909 1.2995 1.2995 1.4262 1.4262 1.4693 1.4693 9.7575 9.7575 11.8425 11.8425 13.2330 13.2330 15.0074 15.0074 k = 0.5179-0.2577 0.4082 ( 1562 PWs) bands (ev): -24.5005 -24.5005 -17.1545 -17.1545 -8.4675 -8.4675 -8.1186 -8.1186 -7.9913 -7.9913 1.2994 1.2994 1.4304 1.4304 1.4733 1.4733 9.7434 9.7434 11.8277 11.8277 13.2627 13.2627 15.0069 15.0069 k = 0.5119-0.2681 0.4082 ( 1560 PWs) bands (ev): -24.5005 -24.5005 -17.1542 -17.1542 -8.4686 -8.4686 -8.1190 -8.1190 -7.9915 -7.9915 1.2993 1.2993 1.4333 1.4333 1.4762 1.4762 9.7334 9.7334 11.8171 11.8171 13.2846 13.2846 15.0066 15.0066 k = 0.5060-0.2784 0.4082 ( 1570 PWs) bands (ev): -24.5005 -24.5005 -17.1540 -17.1540 -8.4692 -8.4692 -8.1192 -8.1192 -7.9916 -7.9916 1.2992 1.2992 1.4350 1.4350 1.4779 1.4779 9.7273 9.7273 11.8107 11.8107 13.2979 13.2979 15.0063 15.0063 k = 0.5000-0.2887 0.4082 ( 1572 PWs) bands (ev): -24.5006 -24.5006 -17.1540 -17.1540 -8.4694 -8.4694 -8.1193 -8.1193 -7.9917 -7.9917 1.2992 1.2992 1.4356 1.4356 1.4785 1.4785 9.7253 9.7253 11.8085 11.8085 13.3025 13.3025 15.0062 15.0062 Writing output data file KF.save init_run : 0.12s CPU 0.26s WALL ( 1 calls) electrons : 39.53s CPU 40.76s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 39.52s CPU 40.75s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.02s WALL ( 390 calls) cegterg : 36.54s CPU 37.41s WALL ( 421 calls) Called by sum_band: Called by *egterg: h_psi : 17.12s CPU 17.89s WALL ( 7323 calls) s_psi : 0.53s CPU 0.54s WALL ( 7323 calls) g_psi : 0.05s CPU 0.04s WALL ( 6512 calls) cdiaghg : 18.16s CPU 18.09s WALL ( 6902 calls) cegterg:over : 0.98s CPU 1.08s WALL ( 6512 calls) cegterg:upda : 0.79s CPU 0.84s WALL ( 6512 calls) cegterg:last : 0.39s CPU 0.43s WALL ( 1201 calls) cdiaghg:chol : 0.87s CPU 0.92s WALL ( 6902 calls) cdiaghg:inve : 0.23s CPU 0.25s WALL ( 6902 calls) cdiaghg:para : 1.19s CPU 1.23s WALL ( 13804 calls) Called by h_psi: h_psi:vloc : 15.80s CPU 16.53s WALL ( 7323 calls) h_psi:vnl : 1.30s CPU 1.33s WALL ( 7323 calls) add_vuspsi : 0.68s CPU 0.68s WALL ( 7323 calls) General routines calbec : 0.59s CPU 0.63s WALL ( 7323 calls) fft : 0.01s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 14.57s CPU 15.31s WALL ( 376696 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.07s CPU 0.10s WALL ( 780 calls) Parallel routines fft_scatter : 7.46s CPU 7.72s WALL ( 376719 calls) PWSCF : 46.48s CPU 58.60s WALL This run was terminated on: 18:26:15 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=