Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:31:18 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./ScAl2.save/ file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P 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 76 38 11 2626 942 143 Max 77 39 12 2631 961 147 Sum 2737 1393 397 94617 34327 5209 bravais-lattice index = 14 lattice parameter (alat) = 9.9536 a.u. unit-cell volume = 697.3173 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 51.0000 Ry charge density cutoff = 402.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.953637 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 Sc read from file: /users/gautes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1173 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 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 Sc 11.00 44.95590 Sc( 1.00) Al 3.00 26.98150 Al( 1.00) 12 Sym. Ops., with inversion, found (10 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.0000000 ) ( 1 -1 0 ) ( 0.5000000 ) ( 1 0 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.5773503 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( -1 0 1 ) ( 0.0000000 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.5000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 -1 0 ) ( 0.5000000 ) ( 0 -1 1 ) ( 0.0000000 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) f =( 0.2500000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.4330127 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 1.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.5773503 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 1 -1 ) ( 0.5000000 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) f =( -0.2500000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.1443376 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.5773503 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) f =( 0.5000000 ) ( -1 1 0 ) ( 0.0000000 ) ( -1 0 1 ) ( 0.0000000 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 1 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.5000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.5773503 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) f =( 0.5000000 ) ( -1 1 0 ) ( 0.0000000 ) ( 0 1 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( 0.7500000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.1443376 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4082483 ) 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 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 -1 1 ) ( 0.0000000 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.2500000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.4330127 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) 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= 284 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 2) = ( 0.0116279 -0.0067134 0.0094941), wk = 0.0035211 k( 3) = ( 0.0232558 -0.0134267 0.0189883), wk = 0.0035211 k( 4) = ( 0.0348837 -0.0201401 0.0284824), wk = 0.0035211 k( 5) = ( 0.0465116 -0.0268535 0.0379766), wk = 0.0035211 k( 6) = ( 0.0581395 -0.0335669 0.0474707), wk = 0.0035211 k( 7) = ( 0.0697674 -0.0402803 0.0569649), wk = 0.0035211 k( 8) = ( 0.0813954 -0.0469936 0.0664590), wk = 0.0035211 k( 9) = ( 0.0930233 -0.0537070 0.0759532), wk = 0.0035211 k( 10) = ( 0.1046512 -0.0604204 0.0854473), wk = 0.0035211 k( 11) = ( 0.1162791 -0.0671338 0.0949415), wk = 0.0035211 k( 12) = ( 0.1279070 -0.0738471 0.1044356), wk = 0.0035211 k( 13) = ( 0.1395349 -0.0805605 0.1139298), wk = 0.0035211 k( 14) = ( 0.1511628 -0.0872739 0.1234239), wk = 0.0035211 k( 15) = ( 0.1627907 -0.0939873 0.1329180), wk = 0.0035211 k( 16) = ( 0.1744186 -0.1007006 0.1424122), wk = 0.0035211 k( 17) = ( 0.1860465 -0.1074140 0.1519063), wk = 0.0035211 k( 18) = ( 0.1976744 -0.1141274 0.1614005), wk = 0.0035211 k( 19) = ( 0.2093023 -0.1208408 0.1708946), wk = 0.0035211 k( 20) = ( 0.2209302 -0.1275541 0.1803888), wk = 0.0035211 k( 21) = ( 0.2325581 -0.1342675 0.1898829), wk = 0.0035211 k( 22) = ( 0.2441860 -0.1409809 0.1993771), wk = 0.0035211 k( 23) = ( 0.2558140 -0.1476943 0.2088712), wk = 0.0035211 k( 24) = ( 0.2674419 -0.1544076 0.2183654), wk = 0.0035211 k( 25) = ( 0.2790698 -0.1611210 0.2278595), wk = 0.0035211 k( 26) = ( 0.2906977 -0.1678344 0.2373537), wk = 0.0035211 k( 27) = ( 0.3023256 -0.1745478 0.2468478), wk = 0.0035211 k( 28) = ( 0.3139535 -0.1812611 0.2563420), wk = 0.0035211 k( 29) = ( 0.3255814 -0.1879745 0.2658361), wk = 0.0035211 k( 30) = ( 0.3372093 -0.1946879 0.2753302), wk = 0.0035211 k( 31) = ( 0.3488372 -0.2014013 0.2848244), wk = 0.0035211 k( 32) = ( 0.3604651 -0.2081146 0.2943185), wk = 0.0035211 k( 33) = ( 0.3720930 -0.2148280 0.3038127), wk = 0.0035211 k( 34) = ( 0.3837209 -0.2215414 0.3133068), wk = 0.0035211 k( 35) = ( 0.3953488 -0.2282548 0.3228010), wk = 0.0035211 k( 36) = ( 0.4069767 -0.2349681 0.3322951), wk = 0.0035211 k( 37) = ( 0.4186047 -0.2416815 0.3417893), wk = 0.0035211 k( 38) = ( 0.4302326 -0.2483949 0.3512834), wk = 0.0035211 k( 39) = ( 0.4418605 -0.2551083 0.3607776), wk = 0.0035211 k( 40) = ( 0.4534884 -0.2618216 0.3702717), wk = 0.0035211 k( 41) = ( 0.4651163 -0.2685350 0.3797659), wk = 0.0035211 k( 42) = ( 0.4767442 -0.2752484 0.3892600), wk = 0.0035211 k( 43) = ( 0.4883721 -0.2819618 0.3987541), wk = 0.0035211 k( 44) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0035211 k( 45) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0035211 k( 46) = ( 0.5000000 -0.2755535 0.4175267), wk = 0.0035211 k( 47) = ( 0.5000000 -0.2624319 0.4268050), wk = 0.0035211 k( 48) = ( 0.5000000 -0.2493103 0.4360834), wk = 0.0035211 k( 49) = ( 0.5000000 -0.2361887 0.4453618), wk = 0.0035211 k( 50) = ( 0.5000000 -0.2230672 0.4546401), wk = 0.0035211 k( 51) = ( 0.5000000 -0.2099456 0.4639185), wk = 0.0035211 k( 52) = ( 0.5000000 -0.1968240 0.4731969), wk = 0.0035211 k( 53) = ( 0.5000000 -0.1837024 0.4824753), wk = 0.0035211 k( 54) = ( 0.5000000 -0.1705808 0.4917536), wk = 0.0035211 k( 55) = ( 0.5000000 -0.1574592 0.5010320), wk = 0.0035211 k( 56) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0035211 k( 57) = ( 0.5000000 -0.1312160 0.5195887), wk = 0.0035211 k( 58) = ( 0.5000000 -0.1180944 0.5288671), wk = 0.0035211 k( 59) = ( 0.5000000 -0.1049728 0.5381455), wk = 0.0035211 k( 60) = ( 0.5000000 -0.0918512 0.5474238), wk = 0.0035211 k( 61) = ( 0.5000000 -0.0787296 0.5567022), wk = 0.0035211 k( 62) = ( 0.5000000 -0.0656080 0.5659806), wk = 0.0035211 k( 63) = ( 0.5000000 -0.0524864 0.5752590), wk = 0.0035211 k( 64) = ( 0.5000000 -0.0393648 0.5845373), wk = 0.0035211 k( 65) = ( 0.5000000 -0.0262432 0.5938157), wk = 0.0035211 k( 66) = ( 0.5000000 -0.0131216 0.6030941), wk = 0.0035211 k( 67) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0035211 k( 68) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0035211 k( 69) = ( 0.4916667 0.0144338 0.6123724), wk = 0.0035211 k( 70) = ( 0.4833333 0.0288675 0.6123724), wk = 0.0035211 k( 71) = ( 0.4750000 0.0433013 0.6123724), wk = 0.0035211 k( 72) = ( 0.4666667 0.0577350 0.6123724), wk = 0.0035211 k( 73) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0035211 k( 74) = ( 0.4500000 0.0866025 0.6123724), wk = 0.0035211 k( 75) = ( 0.4416667 0.1010363 0.6123724), wk = 0.0035211 k( 76) = ( 0.4333333 0.1154701 0.6123724), wk = 0.0035211 k( 77) = ( 0.4250000 0.1299038 0.6123724), wk = 0.0035211 k( 78) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0035211 k( 79) = ( 0.4083333 0.1587713 0.6123724), wk = 0.0035211 k( 80) = ( 0.4000000 0.1732051 0.6123724), wk = 0.0035211 k( 81) = ( 0.3916667 0.1876388 0.6123724), wk = 0.0035211 k( 82) = ( 0.3833333 0.2020726 0.6123724), wk = 0.0035211 k( 83) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0035211 k( 84) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0035211 k( 85) = ( 0.3666667 0.2116951 0.5987642), wk = 0.0035211 k( 86) = ( 0.3583333 0.2068838 0.5851559), wk = 0.0035211 k( 87) = ( 0.3500000 0.2020726 0.5715476), wk = 0.0035211 k( 88) = ( 0.3416667 0.1972613 0.5579393), wk = 0.0035211 k( 89) = ( 0.3333333 0.1924501 0.5443311), wk = 0.0035211 k( 90) = ( 0.3250000 0.1876388 0.5307228), wk = 0.0035211 k( 91) = ( 0.3166667 0.1828276 0.5171145), wk = 0.0035211 k( 92) = ( 0.3083333 0.1780163 0.5035062), wk = 0.0035211 k( 93) = ( 0.3000000 0.1732051 0.4898979), wk = 0.0035211 k( 94) = ( 0.2916667 0.1683938 0.4762897), wk = 0.0035211 k( 95) = ( 0.2833333 0.1635826 0.4626814), wk = 0.0035211 k( 96) = ( 0.2750000 0.1587713 0.4490731), wk = 0.0035211 k( 97) = ( 0.2666667 0.1539601 0.4354648), wk = 0.0035211 k( 98) = ( 0.2583333 0.1491488 0.4218566), wk = 0.0035211 k( 99) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0035211 k( 100) = ( 0.2416667 0.1395263 0.3946400), wk = 0.0035211 k( 101) = ( 0.2333333 0.1347151 0.3810317), wk = 0.0035211 k( 102) = ( 0.2250000 0.1299038 0.3674235), wk = 0.0035211 k( 103) = ( 0.2166667 0.1250926 0.3538152), wk = 0.0035211 k( 104) = ( 0.2083333 0.1202813 0.3402069), wk = 0.0035211 k( 105) = ( 0.2000000 0.1154701 0.3265986), wk = 0.0035211 k( 106) = ( 0.1916667 0.1106588 0.3129903), wk = 0.0035211 k( 107) = ( 0.1833333 0.1058475 0.2993821), wk = 0.0035211 k( 108) = ( 0.1750000 0.1010363 0.2857738), wk = 0.0035211 k( 109) = ( 0.1666667 0.0962250 0.2721655), wk = 0.0035211 k( 110) = ( 0.1583333 0.0914138 0.2585573), wk = 0.0035211 k( 111) = ( 0.1500000 0.0866025 0.2449490), wk = 0.0035211 k( 112) = ( 0.1416667 0.0817913 0.2313407), wk = 0.0035211 k( 113) = ( 0.1333333 0.0769800 0.2177324), wk = 0.0035211 k( 114) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0035211 k( 115) = ( 0.1166667 0.0673575 0.1905159), wk = 0.0035211 k( 116) = ( 0.1083333 0.0625463 0.1769076), wk = 0.0035211 k( 117) = ( 0.1000000 0.0577350 0.1632993), wk = 0.0035211 k( 118) = ( 0.0916667 0.0529238 0.1496910), wk = 0.0035211 k( 119) = ( 0.0833333 0.0481125 0.1360828), wk = 0.0035211 k( 120) = ( 0.0750000 0.0433013 0.1224745), wk = 0.0035211 k( 121) = ( 0.0666667 0.0384900 0.1088662), wk = 0.0035211 k( 122) = ( 0.0583333 0.0336788 0.0952579), wk = 0.0035211 k( 123) = ( 0.0500000 0.0288675 0.0816497), wk = 0.0035211 k( 124) = ( 0.0416667 0.0240563 0.0680414), wk = 0.0035211 k( 125) = ( 0.0333333 0.0192450 0.0544331), wk = 0.0035211 k( 126) = ( 0.0250000 0.0144338 0.0408248), wk = 0.0035211 k( 127) = ( 0.0166667 0.0096225 0.0272165), wk = 0.0035211 k( 128) = ( 0.0083333 0.0048113 0.0136083), wk = 0.0035211 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 131) = ( 0.0135135 0.0078020 0.0055169), wk = 0.0035211 k( 132) = ( 0.0270270 0.0156041 0.0110337), wk = 0.0035211 k( 133) = ( 0.0405405 0.0234061 0.0165506), wk = 0.0035211 k( 134) = ( 0.0540540 0.0312081 0.0220675), wk = 0.0035211 k( 135) = ( 0.0675676 0.0390102 0.0275843), wk = 0.0035211 k( 136) = ( 0.0810811 0.0468122 0.0331012), wk = 0.0035211 k( 137) = ( 0.0945946 0.0546142 0.0386181), wk = 0.0035211 k( 138) = ( 0.1081081 0.0624162 0.0441350), wk = 0.0035211 k( 139) = ( 0.1216216 0.0702183 0.0496518), wk = 0.0035211 k( 140) = ( 0.1351351 0.0780203 0.0551687), wk = 0.0035211 k( 141) = ( 0.1486486 0.0858223 0.0606856), wk = 0.0035211 k( 142) = ( 0.1621622 0.0936244 0.0662024), wk = 0.0035211 k( 143) = ( 0.1756757 0.1014264 0.0717193), wk = 0.0035211 k( 144) = ( 0.1891892 0.1092284 0.0772362), wk = 0.0035211 k( 145) = ( 0.2027027 0.1170305 0.0827530), wk = 0.0035211 k( 146) = ( 0.2162162 0.1248325 0.0882699), wk = 0.0035211 k( 147) = ( 0.2297297 0.1326345 0.0937868), wk = 0.0035211 k( 148) = ( 0.2432432 0.1404366 0.0993036), wk = 0.0035211 k( 149) = ( 0.2567568 0.1482386 0.1048205), wk = 0.0035211 k( 150) = ( 0.2702703 0.1560406 0.1103374), wk = 0.0035211 k( 151) = ( 0.2837838 0.1638426 0.1158542), wk = 0.0035211 k( 152) = ( 0.2972973 0.1716447 0.1213711), wk = 0.0035211 k( 153) = ( 0.3108108 0.1794467 0.1268880), wk = 0.0035211 k( 154) = ( 0.3243243 0.1872487 0.1324048), wk = 0.0035211 k( 155) = ( 0.3378378 0.1950508 0.1379217), wk = 0.0035211 k( 156) = ( 0.3513514 0.2028528 0.1434386), wk = 0.0035211 k( 157) = ( 0.3648649 0.2106548 0.1489555), wk = 0.0035211 k( 158) = ( 0.3783784 0.2184569 0.1544723), wk = 0.0035211 k( 159) = ( 0.3918919 0.2262589 0.1599892), wk = 0.0035211 k( 160) = ( 0.4054054 0.2340609 0.1655061), wk = 0.0035211 k( 161) = ( 0.4189189 0.2418630 0.1710229), wk = 0.0035211 k( 162) = ( 0.4324324 0.2496650 0.1765398), wk = 0.0035211 k( 163) = ( 0.4459459 0.2574670 0.1820567), wk = 0.0035211 k( 164) = ( 0.4594595 0.2652690 0.1875735), wk = 0.0035211 k( 165) = ( 0.4729730 0.2730711 0.1930904), wk = 0.0035211 k( 166) = ( 0.4864865 0.2808731 0.1986073), wk = 0.0035211 k( 167) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0035211 k( 168) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0035211 k( 169) = ( 0.5048077 0.2747965 0.2119751), wk = 0.0035211 k( 170) = ( 0.5096154 0.2609179 0.2198260), wk = 0.0035211 k( 171) = ( 0.5144231 0.2470393 0.2276769), wk = 0.0035211 k( 172) = ( 0.5192308 0.2331607 0.2355279), wk = 0.0035211 k( 173) = ( 0.5240385 0.2192821 0.2433788), wk = 0.0035211 k( 174) = ( 0.5288462 0.2054035 0.2512297), wk = 0.0035211 k( 175) = ( 0.5336538 0.1915248 0.2590806), wk = 0.0035211 k( 176) = ( 0.5384615 0.1776462 0.2669316), wk = 0.0035211 k( 177) = ( 0.5432692 0.1637676 0.2747825), wk = 0.0035211 k( 178) = ( 0.5480769 0.1498890 0.2826334), wk = 0.0035211 k( 179) = ( 0.5528846 0.1360104 0.2904844), wk = 0.0035211 k( 180) = ( 0.5576923 0.1221318 0.2983353), wk = 0.0035211 k( 181) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0035211 k( 182) = ( 0.5673077 0.0943746 0.3140371), wk = 0.0035211 k( 183) = ( 0.5721154 0.0804960 0.3218881), wk = 0.0035211 k( 184) = ( 0.5769231 0.0666173 0.3297390), wk = 0.0035211 k( 185) = ( 0.5817308 0.0527387 0.3375899), wk = 0.0035211 k( 186) = ( 0.5865385 0.0388601 0.3454409), wk = 0.0035211 k( 187) = ( 0.5913462 0.0249815 0.3532918), wk = 0.0035211 k( 188) = ( 0.5961538 0.0111029 0.3611427), wk = 0.0035211 k( 189) = ( 0.6009615 -0.0027757 0.3689936), wk = 0.0035211 k( 190) = ( 0.6057692 -0.0166543 0.3768446), wk = 0.0035211 k( 191) = ( 0.6105769 -0.0305329 0.3846955), wk = 0.0035211 k( 192) = ( 0.6153846 -0.0444116 0.3925464), wk = 0.0035211 k( 193) = ( 0.6201923 -0.0582902 0.4003974), wk = 0.0035211 k( 194) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0035211 k( 195) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0035211 k( 196) = ( 0.6166667 -0.0673575 0.4218566), wk = 0.0035211 k( 197) = ( 0.6083333 -0.0625463 0.4354648), wk = 0.0035211 k( 198) = ( 0.6000000 -0.0577350 0.4490731), wk = 0.0035211 k( 199) = ( 0.5916667 -0.0529238 0.4626814), wk = 0.0035211 k( 200) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0035211 k( 201) = ( 0.5750000 -0.0433013 0.4898979), wk = 0.0035211 k( 202) = ( 0.5666667 -0.0384900 0.5035062), wk = 0.0035211 k( 203) = ( 0.5583333 -0.0336788 0.5171145), wk = 0.0035211 k( 204) = ( 0.5500000 -0.0288675 0.5307228), wk = 0.0035211 k( 205) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0035211 k( 206) = ( 0.5333333 -0.0192450 0.5579393), wk = 0.0035211 k( 207) = ( 0.5250000 -0.0144338 0.5715476), wk = 0.0035211 k( 208) = ( 0.5166667 -0.0096225 0.5851559), wk = 0.0035211 k( 209) = ( 0.5083333 -0.0048113 0.5987642), wk = 0.0035211 k( 210) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0035211 k( 211) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0035211 k( 212) = ( 0.5000000 0.0096225 0.5987642), wk = 0.0035211 k( 213) = ( 0.5000000 0.0192450 0.5851559), wk = 0.0035211 k( 214) = ( 0.5000000 0.0288675 0.5715476), wk = 0.0035211 k( 215) = ( 0.5000000 0.0384900 0.5579393), wk = 0.0035211 k( 216) = ( 0.5000000 0.0481125 0.5443310), wk = 0.0035211 k( 217) = ( 0.5000000 0.0577350 0.5307228), wk = 0.0035211 k( 218) = ( 0.5000000 0.0673575 0.5171145), wk = 0.0035211 k( 219) = ( 0.5000000 0.0769800 0.5035062), wk = 0.0035211 k( 220) = ( 0.5000000 0.0866025 0.4898979), wk = 0.0035211 k( 221) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0035211 k( 222) = ( 0.5000000 0.1058476 0.4626814), wk = 0.0035211 k( 223) = ( 0.5000000 0.1154701 0.4490731), wk = 0.0035211 k( 224) = ( 0.5000000 0.1250926 0.4354648), wk = 0.0035211 k( 225) = ( 0.5000000 0.1347151 0.4218566), wk = 0.0035211 k( 226) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0035211 k( 227) = ( 0.5000000 0.1539601 0.3946400), wk = 0.0035211 k( 228) = ( 0.5000000 0.1635826 0.3810317), wk = 0.0035211 k( 229) = ( 0.5000000 0.1732051 0.3674235), wk = 0.0035211 k( 230) = ( 0.5000000 0.1828276 0.3538152), wk = 0.0035211 k( 231) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0035211 k( 232) = ( 0.5000000 0.2020726 0.3265986), wk = 0.0035211 k( 233) = ( 0.5000000 0.2116951 0.3129904), wk = 0.0035211 k( 234) = ( 0.5000000 0.2213176 0.2993821), wk = 0.0035211 k( 235) = ( 0.5000000 0.2309401 0.2857738), wk = 0.0035211 k( 236) = ( 0.5000000 0.2405626 0.2721655), wk = 0.0035211 k( 237) = ( 0.5000000 0.2501851 0.2585572), wk = 0.0035211 k( 238) = ( 0.5000000 0.2598076 0.2449490), wk = 0.0035211 k( 239) = ( 0.5000000 0.2694301 0.2313407), wk = 0.0035211 k( 240) = ( 0.5000000 0.2790526 0.2177324), wk = 0.0035211 k( 241) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0035211 k( 242) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0035211 k( 243) = ( 0.4951923 0.2858994 0.2198260), wk = 0.0035211 k( 244) = ( 0.4903846 0.2831237 0.2355279), wk = 0.0035211 k( 245) = ( 0.4855769 0.2803480 0.2512297), wk = 0.0035211 k( 246) = ( 0.4807692 0.2775722 0.2669316), wk = 0.0035211 k( 247) = ( 0.4759615 0.2747965 0.2826334), wk = 0.0035211 k( 248) = ( 0.4711538 0.2720208 0.2983353), wk = 0.0035211 k( 249) = ( 0.4663462 0.2692451 0.3140371), wk = 0.0035211 k( 250) = ( 0.4615385 0.2664694 0.3297390), wk = 0.0035211 k( 251) = ( 0.4567308 0.2636936 0.3454409), wk = 0.0035211 k( 252) = ( 0.4519231 0.2609179 0.3611427), wk = 0.0035211 k( 253) = ( 0.4471154 0.2581422 0.3768446), wk = 0.0035211 k( 254) = ( 0.4423077 0.2553665 0.3925464), wk = 0.0035211 k( 255) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0035211 k( 256) = ( 0.4326923 0.2498150 0.4239501), wk = 0.0035211 k( 257) = ( 0.4278846 0.2470393 0.4396520), wk = 0.0035211 k( 258) = ( 0.4230769 0.2442636 0.4553539), wk = 0.0035211 k( 259) = ( 0.4182692 0.2414879 0.4710557), wk = 0.0035211 k( 260) = ( 0.4134615 0.2387121 0.4867576), wk = 0.0035211 k( 261) = ( 0.4086538 0.2359364 0.5024594), wk = 0.0035211 k( 262) = ( 0.4038462 0.2331607 0.5181613), wk = 0.0035211 k( 263) = ( 0.3990385 0.2303850 0.5338632), wk = 0.0035211 k( 264) = ( 0.3942308 0.2276092 0.5495650), wk = 0.0035211 k( 265) = ( 0.3894231 0.2248335 0.5652669), wk = 0.0035211 k( 266) = ( 0.3846154 0.2220578 0.5809687), wk = 0.0035211 k( 267) = ( 0.3798077 0.2192821 0.5966706), wk = 0.0035211 k( 268) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0035211 k( 269) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0035211 k( 270) = ( 0.6166667 -0.0866025 0.4082483), wk = 0.0035211 k( 271) = ( 0.6083333 -0.1010363 0.4082483), wk = 0.0035211 k( 272) = ( 0.6000000 -0.1154701 0.4082483), wk = 0.0035211 k( 273) = ( 0.5916667 -0.1299038 0.4082483), wk = 0.0035211 k( 274) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0035211 k( 275) = ( 0.5750000 -0.1587713 0.4082483), wk = 0.0035211 k( 276) = ( 0.5666667 -0.1732051 0.4082483), wk = 0.0035211 k( 277) = ( 0.5583333 -0.1876388 0.4082483), wk = 0.0035211 k( 278) = ( 0.5500000 -0.2020726 0.4082483), wk = 0.0035211 k( 279) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0035211 k( 280) = ( 0.5333333 -0.2309401 0.4082483), wk = 0.0035211 k( 281) = ( 0.5250000 -0.2453739 0.4082483), wk = 0.0035211 k( 282) = ( 0.5166667 -0.2598076 0.4082483), wk = 0.0035211 k( 283) = ( 0.5083333 -0.2742414 0.4082483), wk = 0.0035211 k( 284) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0035211 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 2) = ( 0.0116279 -0.0000000 0.0116279), wk = 0.0035211 k( 3) = ( 0.0232558 -0.0000000 0.0232558), wk = 0.0035211 k( 4) = ( 0.0348837 -0.0000000 0.0348837), wk = 0.0035211 k( 5) = ( 0.0465116 -0.0000000 0.0465116), wk = 0.0035211 k( 6) = ( 0.0581395 -0.0000000 0.0581395), wk = 0.0035211 k( 7) = ( 0.0697674 -0.0000000 0.0697674), wk = 0.0035211 k( 8) = ( 0.0813954 -0.0000000 0.0813954), wk = 0.0035211 k( 9) = ( 0.0930233 -0.0000000 0.0930233), wk = 0.0035211 k( 10) = ( 0.1046512 -0.0000000 0.1046512), wk = 0.0035211 k( 11) = ( 0.1162791 -0.0000000 0.1162791), wk = 0.0035211 k( 12) = ( 0.1279070 -0.0000000 0.1279070), wk = 0.0035211 k( 13) = ( 0.1395349 -0.0000000 0.1395349), wk = 0.0035211 k( 14) = ( 0.1511628 -0.0000000 0.1511628), wk = 0.0035211 k( 15) = ( 0.1627907 -0.0000000 0.1627907), wk = 0.0035211 k( 16) = ( 0.1744186 -0.0000000 0.1744186), wk = 0.0035211 k( 17) = ( 0.1860465 -0.0000000 0.1860465), wk = 0.0035211 k( 18) = ( 0.1976744 -0.0000000 0.1976744), wk = 0.0035211 k( 19) = ( 0.2093023 -0.0000000 0.2093023), wk = 0.0035211 k( 20) = ( 0.2209302 -0.0000000 0.2209302), wk = 0.0035211 k( 21) = ( 0.2325581 -0.0000000 0.2325581), wk = 0.0035211 k( 22) = ( 0.2441860 -0.0000000 0.2441861), wk = 0.0035211 k( 23) = ( 0.2558140 0.0000000 0.2558140), wk = 0.0035211 k( 24) = ( 0.2674419 -0.0000000 0.2674419), wk = 0.0035211 k( 25) = ( 0.2790698 0.0000000 0.2790698), wk = 0.0035211 k( 26) = ( 0.2906977 0.0000000 0.2906977), wk = 0.0035211 k( 27) = ( 0.3023256 -0.0000000 0.3023256), wk = 0.0035211 k( 28) = ( 0.3139535 -0.0000000 0.3139535), wk = 0.0035211 k( 29) = ( 0.3255814 -0.0000000 0.3255814), wk = 0.0035211 k( 30) = ( 0.3372093 -0.0000000 0.3372093), wk = 0.0035211 k( 31) = ( 0.3488372 -0.0000000 0.3488372), wk = 0.0035211 k( 32) = ( 0.3604651 -0.0000000 0.3604651), wk = 0.0035211 k( 33) = ( 0.3720930 -0.0000000 0.3720930), wk = 0.0035211 k( 34) = ( 0.3837209 0.0000000 0.3837209), wk = 0.0035211 k( 35) = ( 0.3953488 -0.0000000 0.3953488), wk = 0.0035211 k( 36) = ( 0.4069767 -0.0000000 0.4069767), wk = 0.0035211 k( 37) = ( 0.4186047 -0.0000000 0.4186047), wk = 0.0035211 k( 38) = ( 0.4302326 -0.0000000 0.4302326), wk = 0.0035211 k( 39) = ( 0.4418605 -0.0000000 0.4418605), wk = 0.0035211 k( 40) = ( 0.4534884 0.0000000 0.4534884), wk = 0.0035211 k( 41) = ( 0.4651163 -0.0000000 0.4651163), wk = 0.0035211 k( 42) = ( 0.4767442 -0.0000000 0.4767442), wk = 0.0035211 k( 43) = ( 0.4883721 -0.0000000 0.4883721), wk = 0.0035211 k( 44) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035211 k( 45) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035211 k( 46) = ( 0.5000000 0.0113636 0.5113636), wk = 0.0035211 k( 47) = ( 0.5000000 0.0227273 0.5227273), wk = 0.0035211 k( 48) = ( 0.5000000 0.0340909 0.5340909), wk = 0.0035211 k( 49) = ( 0.5000000 0.0454545 0.5454546), wk = 0.0035211 k( 50) = ( 0.5000000 0.0568182 0.5568182), wk = 0.0035211 k( 51) = ( 0.5000000 0.0681818 0.5681818), wk = 0.0035211 k( 52) = ( 0.5000000 0.0795454 0.5795455), wk = 0.0035211 k( 53) = ( 0.5000000 0.0909091 0.5909091), wk = 0.0035211 k( 54) = ( 0.5000000 0.1022727 0.6022727), wk = 0.0035211 k( 55) = ( 0.5000000 0.1136364 0.6136364), wk = 0.0035211 k( 56) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0035211 k( 57) = ( 0.5000000 0.1363636 0.6363636), wk = 0.0035211 k( 58) = ( 0.5000000 0.1477273 0.6477273), wk = 0.0035211 k( 59) = ( 0.5000000 0.1590909 0.6590909), wk = 0.0035211 k( 60) = ( 0.5000000 0.1704546 0.6704546), wk = 0.0035211 k( 61) = ( 0.5000000 0.1818182 0.6818182), wk = 0.0035211 k( 62) = ( 0.5000000 0.1931818 0.6931818), wk = 0.0035211 k( 63) = ( 0.5000000 0.2045454 0.7045455), wk = 0.0035211 k( 64) = ( 0.5000000 0.2159091 0.7159091), wk = 0.0035211 k( 65) = ( 0.5000000 0.2272727 0.7272727), wk = 0.0035211 k( 66) = ( 0.5000000 0.2386364 0.7386364), wk = 0.0035211 k( 67) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0035211 k( 68) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0035211 k( 69) = ( 0.4916667 0.2583333 0.7500000), wk = 0.0035211 k( 70) = ( 0.4833333 0.2666667 0.7500000), wk = 0.0035211 k( 71) = ( 0.4750000 0.2750000 0.7500000), wk = 0.0035211 k( 72) = ( 0.4666667 0.2833333 0.7500000), wk = 0.0035211 k( 73) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0035211 k( 74) = ( 0.4500000 0.3000000 0.7500000), wk = 0.0035211 k( 75) = ( 0.4416667 0.3083333 0.7500000), wk = 0.0035211 k( 76) = ( 0.4333333 0.3166667 0.7500000), wk = 0.0035211 k( 77) = ( 0.4250000 0.3250000 0.7500000), wk = 0.0035211 k( 78) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0035211 k( 79) = ( 0.4083333 0.3416667 0.7500000), wk = 0.0035211 k( 80) = ( 0.4000000 0.3500000 0.7500000), wk = 0.0035211 k( 81) = ( 0.3916667 0.3583333 0.7500000), wk = 0.0035211 k( 82) = ( 0.3833333 0.3666667 0.7500000), wk = 0.0035211 k( 83) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0035211 k( 84) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0035211 k( 85) = ( 0.3666667 0.3666667 0.7333333), wk = 0.0035211 k( 86) = ( 0.3583333 0.3583333 0.7166667), wk = 0.0035211 k( 87) = ( 0.3500000 0.3500000 0.7000000), wk = 0.0035211 k( 88) = ( 0.3416667 0.3416667 0.6833333), wk = 0.0035211 k( 89) = ( 0.3333333 0.3333333 0.6666667), wk = 0.0035211 k( 90) = ( 0.3250000 0.3250000 0.6500000), wk = 0.0035211 k( 91) = ( 0.3166667 0.3166667 0.6333333), wk = 0.0035211 k( 92) = ( 0.3083333 0.3083333 0.6166667), wk = 0.0035211 k( 93) = ( 0.3000000 0.3000000 0.6000000), wk = 0.0035211 k( 94) = ( 0.2916667 0.2916667 0.5833333), wk = 0.0035211 k( 95) = ( 0.2833333 0.2833333 0.5666667), wk = 0.0035211 k( 96) = ( 0.2750000 0.2750000 0.5500000), wk = 0.0035211 k( 97) = ( 0.2666667 0.2666667 0.5333333), wk = 0.0035211 k( 98) = ( 0.2583333 0.2583333 0.5166667), wk = 0.0035211 k( 99) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0035211 k( 100) = ( 0.2416667 0.2416667 0.4833333), wk = 0.0035211 k( 101) = ( 0.2333333 0.2333333 0.4666667), wk = 0.0035211 k( 102) = ( 0.2250000 0.2250000 0.4500000), wk = 0.0035211 k( 103) = ( 0.2166667 0.2166667 0.4333333), wk = 0.0035211 k( 104) = ( 0.2083333 0.2083333 0.4166667), wk = 0.0035211 k( 105) = ( 0.2000000 0.2000000 0.4000000), wk = 0.0035211 k( 106) = ( 0.1916667 0.1916667 0.3833333), wk = 0.0035211 k( 107) = ( 0.1833333 0.1833333 0.3666667), wk = 0.0035211 k( 108) = ( 0.1750000 0.1750000 0.3500000), wk = 0.0035211 k( 109) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0035211 k( 110) = ( 0.1583333 0.1583333 0.3166667), wk = 0.0035211 k( 111) = ( 0.1500000 0.1500000 0.3000000), wk = 0.0035211 k( 112) = ( 0.1416667 0.1416667 0.2833333), wk = 0.0035211 k( 113) = ( 0.1333333 0.1333333 0.2666667), wk = 0.0035211 k( 114) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0035211 k( 115) = ( 0.1166667 0.1166667 0.2333333), wk = 0.0035211 k( 116) = ( 0.1083333 0.1083333 0.2166667), wk = 0.0035211 k( 117) = ( 0.1000000 0.1000000 0.2000000), wk = 0.0035211 k( 118) = ( 0.0916667 0.0916667 0.1833333), wk = 0.0035211 k( 119) = ( 0.0833333 0.0833333 0.1666667), wk = 0.0035211 k( 120) = ( 0.0750000 0.0750000 0.1500000), wk = 0.0035211 k( 121) = ( 0.0666667 0.0666667 0.1333333), wk = 0.0035211 k( 122) = ( 0.0583333 0.0583333 0.1166667), wk = 0.0035211 k( 123) = ( 0.0500000 0.0500000 0.1000000), wk = 0.0035211 k( 124) = ( 0.0416667 0.0416667 0.0833333), wk = 0.0035211 k( 125) = ( 0.0333333 0.0333333 0.0666667), wk = 0.0035211 k( 126) = ( 0.0250000 0.0250000 0.0500000), wk = 0.0035211 k( 127) = ( 0.0166667 0.0166667 0.0333333), wk = 0.0035211 k( 128) = ( 0.0083333 0.0083333 0.0166667), wk = 0.0035211 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035211 k( 131) = ( 0.0135135 0.0135135 0.0135135), wk = 0.0035211 k( 132) = ( 0.0270270 0.0270270 0.0270270), wk = 0.0035211 k( 133) = ( 0.0405405 0.0405405 0.0405405), wk = 0.0035211 k( 134) = ( 0.0540540 0.0540541 0.0540541), wk = 0.0035211 k( 135) = ( 0.0675676 0.0675676 0.0675676), wk = 0.0035211 k( 136) = ( 0.0810811 0.0810811 0.0810811), wk = 0.0035211 k( 137) = ( 0.0945946 0.0945946 0.0945946), wk = 0.0035211 k( 138) = ( 0.1081081 0.1081081 0.1081081), wk = 0.0035211 k( 139) = ( 0.1216216 0.1216216 0.1216216), wk = 0.0035211 k( 140) = ( 0.1351351 0.1351351 0.1351351), wk = 0.0035211 k( 141) = ( 0.1486486 0.1486487 0.1486487), wk = 0.0035211 k( 142) = ( 0.1621622 0.1621622 0.1621622), wk = 0.0035211 k( 143) = ( 0.1756757 0.1756757 0.1756757), wk = 0.0035211 k( 144) = ( 0.1891892 0.1891892 0.1891892), wk = 0.0035211 k( 145) = ( 0.2027027 0.2027027 0.2027027), wk = 0.0035211 k( 146) = ( 0.2162162 0.2162162 0.2162162), wk = 0.0035211 k( 147) = ( 0.2297297 0.2297297 0.2297297), wk = 0.0035211 k( 148) = ( 0.2432432 0.2432432 0.2432432), wk = 0.0035211 k( 149) = ( 0.2567568 0.2567568 0.2567568), wk = 0.0035211 k( 150) = ( 0.2702703 0.2702703 0.2702703), wk = 0.0035211 k( 151) = ( 0.2837838 0.2837838 0.2837838), wk = 0.0035211 k( 152) = ( 0.2972973 0.2972973 0.2972973), wk = 0.0035211 k( 153) = ( 0.3108108 0.3108108 0.3108108), wk = 0.0035211 k( 154) = ( 0.3243243 0.3243243 0.3243243), wk = 0.0035211 k( 155) = ( 0.3378378 0.3378378 0.3378378), wk = 0.0035211 k( 156) = ( 0.3513514 0.3513514 0.3513514), wk = 0.0035211 k( 157) = ( 0.3648649 0.3648649 0.3648649), wk = 0.0035211 k( 158) = ( 0.3783784 0.3783784 0.3783784), wk = 0.0035211 k( 159) = ( 0.3918919 0.3918919 0.3918919), wk = 0.0035211 k( 160) = ( 0.4054054 0.4054054 0.4054054), wk = 0.0035211 k( 161) = ( 0.4189189 0.4189189 0.4189189), wk = 0.0035211 k( 162) = ( 0.4324324 0.4324324 0.4324324), wk = 0.0035211 k( 163) = ( 0.4459459 0.4459460 0.4459460), wk = 0.0035211 k( 164) = ( 0.4594595 0.4594595 0.4594595), wk = 0.0035211 k( 165) = ( 0.4729730 0.4729730 0.4729730), wk = 0.0035211 k( 166) = ( 0.4864865 0.4864865 0.4864865), wk = 0.0035211 k( 167) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035211 k( 168) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035211 k( 169) = ( 0.5048077 0.4903846 0.5048077), wk = 0.0035211 k( 170) = ( 0.5096154 0.4807692 0.5096154), wk = 0.0035211 k( 171) = ( 0.5144231 0.4711538 0.5144231), wk = 0.0035211 k( 172) = ( 0.5192308 0.4615385 0.5192308), wk = 0.0035211 k( 173) = ( 0.5240385 0.4519231 0.5240385), wk = 0.0035211 k( 174) = ( 0.5288462 0.4423077 0.5288462), wk = 0.0035211 k( 175) = ( 0.5336538 0.4326923 0.5336538), wk = 0.0035211 k( 176) = ( 0.5384615 0.4230769 0.5384615), wk = 0.0035211 k( 177) = ( 0.5432692 0.4134615 0.5432692), wk = 0.0035211 k( 178) = ( 0.5480769 0.4038462 0.5480769), wk = 0.0035211 k( 179) = ( 0.5528846 0.3942308 0.5528846), wk = 0.0035211 k( 180) = ( 0.5576923 0.3846154 0.5576923), wk = 0.0035211 k( 181) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0035211 k( 182) = ( 0.5673077 0.3653846 0.5673077), wk = 0.0035211 k( 183) = ( 0.5721154 0.3557692 0.5721154), wk = 0.0035211 k( 184) = ( 0.5769231 0.3461539 0.5769231), wk = 0.0035211 k( 185) = ( 0.5817308 0.3365385 0.5817308), wk = 0.0035211 k( 186) = ( 0.5865385 0.3269231 0.5865385), wk = 0.0035211 k( 187) = ( 0.5913462 0.3173077 0.5913462), wk = 0.0035211 k( 188) = ( 0.5961538 0.3076923 0.5961539), wk = 0.0035211 k( 189) = ( 0.6009615 0.2980769 0.6009615), wk = 0.0035211 k( 190) = ( 0.6057692 0.2884615 0.6057692), wk = 0.0035211 k( 191) = ( 0.6105769 0.2788462 0.6105769), wk = 0.0035211 k( 192) = ( 0.6153846 0.2692308 0.6153846), wk = 0.0035211 k( 193) = ( 0.6201923 0.2596154 0.6201923), wk = 0.0035211 k( 194) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0035211 k( 195) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0035211 k( 196) = ( 0.6166667 0.2500000 0.6333333), wk = 0.0035211 k( 197) = ( 0.6083333 0.2500000 0.6416667), wk = 0.0035211 k( 198) = ( 0.6000000 0.2500000 0.6500000), wk = 0.0035211 k( 199) = ( 0.5916667 0.2500000 0.6583333), wk = 0.0035211 k( 200) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0035211 k( 201) = ( 0.5750000 0.2500000 0.6750000), wk = 0.0035211 k( 202) = ( 0.5666667 0.2500000 0.6833333), wk = 0.0035211 k( 203) = ( 0.5583333 0.2500000 0.6916667), wk = 0.0035211 k( 204) = ( 0.5500000 0.2500000 0.7000000), wk = 0.0035211 k( 205) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0035211 k( 206) = ( 0.5333333 0.2500000 0.7166667), wk = 0.0035211 k( 207) = ( 0.5250000 0.2500000 0.7250000), wk = 0.0035211 k( 208) = ( 0.5166667 0.2500000 0.7333333), wk = 0.0035211 k( 209) = ( 0.5083333 0.2500000 0.7416667), wk = 0.0035211 k( 210) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0035211 k( 211) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0035211 k( 212) = ( 0.5000000 0.2583333 0.7416667), wk = 0.0035211 k( 213) = ( 0.5000000 0.2666667 0.7333333), wk = 0.0035211 k( 214) = ( 0.5000000 0.2750000 0.7250000), wk = 0.0035211 k( 215) = ( 0.5000000 0.2833333 0.7166667), wk = 0.0035211 k( 216) = ( 0.5000000 0.2916667 0.7083333), wk = 0.0035211 k( 217) = ( 0.5000000 0.3000000 0.7000000), wk = 0.0035211 k( 218) = ( 0.5000000 0.3083333 0.6916667), wk = 0.0035211 k( 219) = ( 0.5000000 0.3166667 0.6833333), wk = 0.0035211 k( 220) = ( 0.5000000 0.3250000 0.6750000), wk = 0.0035211 k( 221) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0035211 k( 222) = ( 0.5000000 0.3416667 0.6583333), wk = 0.0035211 k( 223) = ( 0.5000000 0.3500000 0.6500000), wk = 0.0035211 k( 224) = ( 0.5000000 0.3583333 0.6416667), wk = 0.0035211 k( 225) = ( 0.5000000 0.3666667 0.6333333), wk = 0.0035211 k( 226) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0035211 k( 227) = ( 0.5000000 0.3833333 0.6166667), wk = 0.0035211 k( 228) = ( 0.5000000 0.3916667 0.6083333), wk = 0.0035211 k( 229) = ( 0.5000000 0.4000000 0.6000000), wk = 0.0035211 k( 230) = ( 0.5000000 0.4083333 0.5916667), wk = 0.0035211 k( 231) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0035211 k( 232) = ( 0.5000000 0.4250000 0.5750000), wk = 0.0035211 k( 233) = ( 0.5000000 0.4333333 0.5666667), wk = 0.0035211 k( 234) = ( 0.5000000 0.4416667 0.5583333), wk = 0.0035211 k( 235) = ( 0.5000000 0.4500000 0.5500000), wk = 0.0035211 k( 236) = ( 0.5000000 0.4583333 0.5416667), wk = 0.0035211 k( 237) = ( 0.5000000 0.4666667 0.5333333), wk = 0.0035211 k( 238) = ( 0.5000000 0.4750000 0.5250000), wk = 0.0035211 k( 239) = ( 0.5000000 0.4833333 0.5166667), wk = 0.0035211 k( 240) = ( 0.5000000 0.4916667 0.5083333), wk = 0.0035211 k( 241) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035211 k( 242) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035211 k( 243) = ( 0.4951923 0.4951923 0.5096154), wk = 0.0035211 k( 244) = ( 0.4903846 0.4903846 0.5192308), wk = 0.0035211 k( 245) = ( 0.4855769 0.4855769 0.5288462), wk = 0.0035211 k( 246) = ( 0.4807692 0.4807692 0.5384615), wk = 0.0035211 k( 247) = ( 0.4759615 0.4759615 0.5480769), wk = 0.0035211 k( 248) = ( 0.4711538 0.4711538 0.5576923), wk = 0.0035211 k( 249) = ( 0.4663462 0.4663462 0.5673077), wk = 0.0035211 k( 250) = ( 0.4615385 0.4615385 0.5769231), wk = 0.0035211 k( 251) = ( 0.4567308 0.4567308 0.5865385), wk = 0.0035211 k( 252) = ( 0.4519231 0.4519231 0.5961538), wk = 0.0035211 k( 253) = ( 0.4471154 0.4471154 0.6057692), wk = 0.0035211 k( 254) = ( 0.4423077 0.4423077 0.6153846), wk = 0.0035211 k( 255) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0035211 k( 256) = ( 0.4326923 0.4326923 0.6346154), wk = 0.0035211 k( 257) = ( 0.4278846 0.4278846 0.6442308), wk = 0.0035211 k( 258) = ( 0.4230769 0.4230769 0.6538462), wk = 0.0035211 k( 259) = ( 0.4182692 0.4182692 0.6634615), wk = 0.0035211 k( 260) = ( 0.4134615 0.4134615 0.6730769), wk = 0.0035211 k( 261) = ( 0.4086538 0.4086539 0.6826923), wk = 0.0035211 k( 262) = ( 0.4038462 0.4038462 0.6923077), wk = 0.0035211 k( 263) = ( 0.3990385 0.3990385 0.7019231), wk = 0.0035211 k( 264) = ( 0.3942308 0.3942308 0.7115385), wk = 0.0035211 k( 265) = ( 0.3894231 0.3894231 0.7211539), wk = 0.0035211 k( 266) = ( 0.3846154 0.3846154 0.7307692), wk = 0.0035211 k( 267) = ( 0.3798077 0.3798077 0.7403846), wk = 0.0035211 k( 268) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0035211 k( 269) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0035211 k( 270) = ( 0.6166667 0.2333333 0.6166667), wk = 0.0035211 k( 271) = ( 0.6083333 0.2166667 0.6083333), wk = 0.0035211 k( 272) = ( 0.6000000 0.2000000 0.6000000), wk = 0.0035211 k( 273) = ( 0.5916667 0.1833333 0.5916667), wk = 0.0035211 k( 274) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0035211 k( 275) = ( 0.5750000 0.1500000 0.5750000), wk = 0.0035211 k( 276) = ( 0.5666667 0.1333333 0.5666667), wk = 0.0035211 k( 277) = ( 0.5583333 0.1166667 0.5583333), wk = 0.0035211 k( 278) = ( 0.5500000 0.1000000 0.5500000), wk = 0.0035211 k( 279) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0035211 k( 280) = ( 0.5333333 0.0666667 0.5333333), wk = 0.0035211 k( 281) = ( 0.5250000 0.0500000 0.5250000), wk = 0.0035211 k( 282) = ( 0.5166667 0.0333333 0.5166667), wk = 0.0035211 k( 283) = ( 0.5083333 0.0166667 0.5083333), wk = 0.0035211 k( 284) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035211 Dense grid: 94617 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 34327 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 252, 42) NL pseudopotentials 0.39 Mb ( 126, 204) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2627) G-vector shells 0.00 Mb ( 606) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.65 Mb ( 252, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.26 Mb ( 204, 2, 42) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./ScAl2.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.9 secs Computing kpt #: 2 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 4.4 secs Computing kpt #: 3 total cpu time spent up to now is 5.8 secs Computing kpt #: 4 total cpu time spent up to now is 7.1 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 8.6 secs Computing kpt #: 6 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 10.3 secs Computing kpt #: 7 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 11.9 secs Computing kpt #: 8 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 13.5 secs Computing kpt #: 9 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 15.1 secs Computing kpt #: 10 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 16.7 secs Computing kpt #: 11 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 18.2 secs Computing kpt #: 12 total cpu time spent up to now is 19.6 secs Computing kpt #: 13 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 21.2 secs Computing kpt #: 14 total cpu time spent up to now is 22.5 secs Computing kpt #: 15 total cpu time spent up to now is 23.7 secs Computing kpt #: 16 total cpu time spent up to now is 24.7 secs Computing kpt #: 17 total cpu time spent up to now is 25.7 secs Computing kpt #: 18 total cpu time spent up to now is 26.6 secs Computing kpt #: 19 total cpu time spent up to now is 27.6 secs Computing kpt #: 20 total cpu time spent up to now is 28.5 secs Computing kpt #: 21 total cpu time spent up to now is 29.2 secs Computing kpt #: 22 total cpu time spent up to now is 30.1 secs Computing kpt #: 23 total cpu time spent up to now is 30.8 secs Computing kpt #: 24 total cpu time spent up to now is 31.6 secs Computing kpt #: 25 total cpu time spent up to now is 32.4 secs Computing kpt #: 26 total cpu time spent up to now is 33.2 secs Computing kpt #: 27 total cpu time spent up to now is 33.9 secs Computing kpt #: 28 total cpu time spent up to now is 34.6 secs Computing kpt #: 29 total cpu time spent up to now is 35.4 secs Computing kpt #: 30 total cpu time spent up to now is 36.0 secs Computing kpt #: 31 total cpu time spent up to now is 36.6 secs Computing kpt #: 32 total cpu time spent up to now is 37.3 secs Computing kpt #: 33 total cpu time spent up to now is 38.1 secs Computing kpt #: 34 total cpu time spent up to now is 38.8 secs Computing kpt #: 35 total cpu time spent up to now is 39.6 secs Computing kpt #: 36 total cpu time spent up to now is 40.2 secs Computing kpt #: 37 total cpu time spent up to now is 41.0 secs Computing kpt #: 38 total cpu time spent up to now is 41.8 secs Computing kpt #: 39 total cpu time spent up to now is 42.6 secs Computing kpt #: 40 total cpu time spent up to now is 43.5 secs Computing kpt #: 41 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 44.9 secs Computing kpt #: 42 total cpu time spent up to now is 45.9 secs Computing kpt #: 43 total cpu time spent up to now is 46.7 secs Computing kpt #: 44 total cpu time spent up to now is 47.5 secs Computing kpt #: 45 total cpu time spent up to now is 48.2 secs Computing kpt #: 46 total cpu time spent up to now is 48.9 secs Computing kpt #: 47 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 50.3 secs Computing kpt #: 48 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 51.7 secs Computing kpt #: 49 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 53.1 secs Computing kpt #: 50 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 54.4 secs Computing kpt #: 51 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 55.8 secs Computing kpt #: 52 total cpu time spent up to now is 56.4 secs Computing kpt #: 53 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 57.8 secs Computing kpt #: 54 total cpu time spent up to now is 58.9 secs Computing kpt #: 55 total cpu time spent up to now is 59.5 secs Computing kpt #: 56 total cpu time spent up to now is 60.2 secs Computing kpt #: 57 total cpu time spent up to now is 60.8 secs Computing kpt #: 58 total cpu time spent up to now is 61.4 secs Computing kpt #: 59 total cpu time spent up to now is 62.0 secs Computing kpt #: 60 total cpu time spent up to now is 62.6 secs Computing kpt #: 61 total cpu time spent up to now is 63.2 secs Computing kpt #: 62 total cpu time spent up to now is 63.9 secs Computing kpt #: 63 total cpu time spent up to now is 64.5 secs Computing kpt #: 64 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 65.9 secs Computing kpt #: 65 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 67.3 secs Computing kpt #: 66 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 68.7 secs Computing kpt #: 67 total cpu time spent up to now is 69.3 secs Computing kpt #: 68 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 70.6 secs Computing kpt #: 69 total cpu time spent up to now is 71.7 secs Computing kpt #: 70 total cpu time spent up to now is 72.4 secs Computing kpt #: 71 total cpu time spent up to now is 73.1 secs Computing kpt #: 72 total cpu time spent up to now is 73.8 secs Computing kpt #: 73 total cpu time spent up to now is 74.3 secs Computing kpt #: 74 total cpu time spent up to now is 74.9 secs Computing kpt #: 75 total cpu time spent up to now is 75.5 secs Computing kpt #: 76 total cpu time spent up to now is 76.1 secs Computing kpt #: 77 total cpu time spent up to now is 76.7 secs Computing kpt #: 78 total cpu time spent up to now is 77.3 secs Computing kpt #: 79 total cpu time spent up to now is 77.9 secs Computing kpt #: 80 total cpu time spent up to now is 78.5 secs Computing kpt #: 81 total cpu time spent up to now is 79.1 secs Computing kpt #: 82 total cpu time spent up to now is 79.6 secs Computing kpt #: 83 total cpu time spent up to now is 80.2 secs Computing kpt #: 84 total cpu time spent up to now is 80.8 secs Computing kpt #: 85 total cpu time spent up to now is 81.4 secs Computing kpt #: 86 total cpu time spent up to now is 82.0 secs Computing kpt #: 87 total cpu time spent up to now is 82.6 secs Computing kpt #: 88 total cpu time spent up to now is 83.2 secs Computing kpt #: 89 total cpu time spent up to now is 83.7 secs Computing kpt #: 90 total cpu time spent up to now is 84.3 secs Computing kpt #: 91 total cpu time spent up to now is 84.9 secs Computing kpt #: 92 total cpu time spent up to now is 85.5 secs Computing kpt #: 93 total cpu time spent up to now is 86.1 secs Computing kpt #: 94 total cpu time spent up to now is 86.6 secs Computing kpt #: 95 total cpu time spent up to now is 87.2 secs Computing kpt #: 96 total cpu time spent up to now is 87.8 secs Computing kpt #: 97 total cpu time spent up to now is 88.3 secs Computing kpt #: 98 total cpu time spent up to now is 88.9 secs Computing kpt #: 99 total cpu time spent up to now is 89.5 secs Computing kpt #: 100 total cpu time spent up to now is 90.1 secs Computing kpt #: 101 total cpu time spent up to now is 90.7 secs Computing kpt #: 102 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 92.1 secs Computing kpt #: 103 total cpu time spent up to now is 92.8 secs Computing kpt #: 104 total cpu time spent up to now is 93.5 secs Computing kpt #: 105 total cpu time spent up to now is 94.1 secs Computing kpt #: 106 total cpu time spent up to now is 94.7 secs Computing kpt #: 107 total cpu time spent up to now is 95.2 secs Computing kpt #: 108 total cpu time spent up to now is 95.9 secs Computing kpt #: 109 total cpu time spent up to now is 96.5 secs Computing kpt #: 110 total cpu time spent up to now is 97.1 secs Computing kpt #: 111 total cpu time spent up to now is 97.8 secs Computing kpt #: 112 total cpu time spent up to now is 98.5 secs Computing kpt #: 113 total cpu time spent up to now is 99.2 secs Computing kpt #: 114 total cpu time spent up to now is 99.9 secs Computing kpt #: 115 total cpu time spent up to now is 100.7 secs Computing kpt #: 116 total cpu time spent up to now is 101.5 secs Computing kpt #: 117 total cpu time spent up to now is 102.3 secs Computing kpt #: 118 total cpu time spent up to now is 103.2 secs Computing kpt #: 119 total cpu time spent up to now is 104.0 secs Computing kpt #: 120 total cpu time spent up to now is 104.9 secs Computing kpt #: 121 total cpu time spent up to now is 105.7 secs Computing kpt #: 122 total cpu time spent up to now is 106.6 secs Computing kpt #: 123 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 108.1 secs Computing kpt #: 124 total cpu time spent up to now is 109.3 secs Computing kpt #: 125 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 110.8 secs Computing kpt #: 126 total cpu time spent up to now is 112.1 secs Computing kpt #: 127 total cpu time spent up to now is 113.4 secs Computing kpt #: 128 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 114.9 secs Computing kpt #: 129 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 116.2 secs Computing kpt #: 130 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 117.7 secs Computing kpt #: 131 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 119.2 secs Computing kpt #: 132 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 120.8 secs Computing kpt #: 133 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 122.3 secs Computing kpt #: 134 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 123.9 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 125.4 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 126.9 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 128.4 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 129.9 secs Computing kpt #: 139 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 131.4 secs Computing kpt #: 140 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 132.9 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 134.4 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 136.0 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 137.4 secs Computing kpt #: 144 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 138.9 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 140.4 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 141.9 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 143.3 secs Computing kpt #: 148 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 144.8 secs Computing kpt #: 149 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 146.3 secs Computing kpt #: 150 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 147.9 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 149.4 secs Computing kpt #: 152 total cpu time spent up to now is 150.3 secs Computing kpt #: 153 total cpu time spent up to now is 151.1 secs Computing kpt #: 154 total cpu time spent up to now is 151.9 secs Computing kpt #: 155 total cpu time spent up to now is 152.7 secs Computing kpt #: 156 total cpu time spent up to now is 153.4 secs Computing kpt #: 157 total cpu time spent up to now is 154.2 secs Computing kpt #: 158 total cpu time spent up to now is 154.9 secs Computing kpt #: 159 total cpu time spent up to now is 155.6 secs Computing kpt #: 160 total cpu time spent up to now is 156.4 secs Computing kpt #: 161 total cpu time spent up to now is 157.2 secs Computing kpt #: 162 total cpu time spent up to now is 157.9 secs Computing kpt #: 163 total cpu time spent up to now is 158.6 secs Computing kpt #: 164 total cpu time spent up to now is 159.4 secs Computing kpt #: 165 total cpu time spent up to now is 160.2 secs Computing kpt #: 166 total cpu time spent up to now is 161.0 secs Computing kpt #: 167 total cpu time spent up to now is 161.7 secs Computing kpt #: 168 total cpu time spent up to now is 162.5 secs Computing kpt #: 169 total cpu time spent up to now is 163.4 secs Computing kpt #: 170 total cpu time spent up to now is 164.2 secs Computing kpt #: 171 total cpu time spent up to now is 165.0 secs Computing kpt #: 172 total cpu time spent up to now is 165.9 secs Computing kpt #: 173 total cpu time spent up to now is 166.6 secs Computing kpt #: 174 total cpu time spent up to now is 167.4 secs Computing kpt #: 175 total cpu time spent up to now is 168.2 secs Computing kpt #: 176 total cpu time spent up to now is 168.9 secs Computing kpt #: 177 total cpu time spent up to now is 169.6 secs Computing kpt #: 178 total cpu time spent up to now is 170.3 secs Computing kpt #: 179 total cpu time spent up to now is 171.0 secs Computing kpt #: 180 total cpu time spent up to now is 171.7 secs Computing kpt #: 181 total cpu time spent up to now is 172.3 secs Computing kpt #: 182 total cpu time spent up to now is 173.0 secs Computing kpt #: 183 total cpu time spent up to now is 173.6 secs Computing kpt #: 184 total cpu time spent up to now is 174.2 secs Computing kpt #: 185 total cpu time spent up to now is 174.8 secs Computing kpt #: 186 total cpu time spent up to now is 175.5 secs Computing kpt #: 187 total cpu time spent up to now is 176.1 secs Computing kpt #: 188 total cpu time spent up to now is 176.6 secs Computing kpt #: 189 total cpu time spent up to now is 177.2 secs Computing kpt #: 190 total cpu time spent up to now is 177.8 secs Computing kpt #: 191 total cpu time spent up to now is 178.4 secs Computing kpt #: 192 total cpu time spent up to now is 179.0 secs Computing kpt #: 193 total cpu time spent up to now is 179.6 secs Computing kpt #: 194 total cpu time spent up to now is 180.1 secs Computing kpt #: 195 total cpu time spent up to now is 180.7 secs Computing kpt #: 196 total cpu time spent up to now is 181.3 secs Computing kpt #: 197 total cpu time spent up to now is 181.9 secs Computing kpt #: 198 total cpu time spent up to now is 182.5 secs Computing kpt #: 199 total cpu time spent up to now is 183.1 secs Computing kpt #: 200 total cpu time spent up to now is 183.7 secs Computing kpt #: 201 total cpu time spent up to now is 184.2 secs Computing kpt #: 202 total cpu time spent up to now is 184.8 secs Computing kpt #: 203 total cpu time spent up to now is 185.4 secs Computing kpt #: 204 total cpu time spent up to now is 186.0 secs Computing kpt #: 205 total cpu time spent up to now is 186.6 secs Computing kpt #: 206 total cpu time spent up to now is 187.3 secs Computing kpt #: 207 total cpu time spent up to now is 188.0 secs Computing kpt #: 208 total cpu time spent up to now is 188.8 secs Computing kpt #: 209 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 190.1 secs Computing kpt #: 210 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 191.5 secs Computing kpt #: 211 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 192.9 secs Computing kpt #: 212 total cpu time spent up to now is 193.6 secs Computing kpt #: 213 total cpu time spent up to now is 194.2 secs Computing kpt #: 214 total cpu time spent up to now is 194.8 secs Computing kpt #: 215 total cpu time spent up to now is 195.4 secs Computing kpt #: 216 total cpu time spent up to now is 196.0 secs Computing kpt #: 217 total cpu time spent up to now is 196.6 secs Computing kpt #: 218 total cpu time spent up to now is 197.2 secs Computing kpt #: 219 total cpu time spent up to now is 197.7 secs Computing kpt #: 220 total cpu time spent up to now is 198.3 secs Computing kpt #: 221 total cpu time spent up to now is 198.9 secs Computing kpt #: 222 total cpu time spent up to now is 199.5 secs Computing kpt #: 223 total cpu time spent up to now is 200.1 secs Computing kpt #: 224 total cpu time spent up to now is 200.7 secs Computing kpt #: 225 total cpu time spent up to now is 201.3 secs Computing kpt #: 226 total cpu time spent up to now is 201.9 secs Computing kpt #: 227 total cpu time spent up to now is 202.6 secs Computing kpt #: 228 total cpu time spent up to now is 203.3 secs Computing kpt #: 229 total cpu time spent up to now is 204.1 secs Computing kpt #: 230 total cpu time spent up to now is 205.0 secs Computing kpt #: 231 total cpu time spent up to now is 205.7 secs Computing kpt #: 232 total cpu time spent up to now is 206.3 secs Computing kpt #: 233 total cpu time spent up to now is 207.0 secs Computing kpt #: 234 total cpu time spent up to now is 207.8 secs Computing kpt #: 235 total cpu time spent up to now is 208.6 secs Computing kpt #: 236 total cpu time spent up to now is 209.5 secs Computing kpt #: 237 total cpu time spent up to now is 210.3 secs Computing kpt #: 238 total cpu time spent up to now is 211.1 secs Computing kpt #: 239 total cpu time spent up to now is 211.9 secs Computing kpt #: 240 total cpu time spent up to now is 212.7 secs Computing kpt #: 241 total cpu time spent up to now is 213.5 secs Computing kpt #: 242 total cpu time spent up to now is 214.3 secs Computing kpt #: 243 total cpu time spent up to now is 215.0 secs Computing kpt #: 244 total cpu time spent up to now is 216.0 secs Computing kpt #: 245 total cpu time spent up to now is 216.9 secs Computing kpt #: 246 total cpu time spent up to now is 217.7 secs Computing kpt #: 247 total cpu time spent up to now is 218.5 secs Computing kpt #: 248 total cpu time spent up to now is 219.3 secs Computing kpt #: 249 total cpu time spent up to now is 220.1 secs Computing kpt #: 250 total cpu time spent up to now is 220.9 secs Computing kpt #: 251 total cpu time spent up to now is 221.6 secs Computing kpt #: 252 total cpu time spent up to now is 222.3 secs Computing kpt #: 253 total cpu time spent up to now is 223.0 secs Computing kpt #: 254 total cpu time spent up to now is 223.6 secs Computing kpt #: 255 total cpu time spent up to now is 224.2 secs Computing kpt #: 256 total cpu time spent up to now is 224.9 secs Computing kpt #: 257 total cpu time spent up to now is 225.5 secs Computing kpt #: 258 total cpu time spent up to now is 226.1 secs Computing kpt #: 259 total cpu time spent up to now is 226.7 secs Computing kpt #: 260 total cpu time spent up to now is 227.3 secs Computing kpt #: 261 total cpu time spent up to now is 227.9 secs Computing kpt #: 262 total cpu time spent up to now is 228.5 secs Computing kpt #: 263 total cpu time spent up to now is 229.1 secs Computing kpt #: 264 total cpu time spent up to now is 229.7 secs Computing kpt #: 265 total cpu time spent up to now is 230.3 secs Computing kpt #: 266 total cpu time spent up to now is 230.8 secs Computing kpt #: 267 total cpu time spent up to now is 231.4 secs Computing kpt #: 268 total cpu time spent up to now is 232.0 secs Computing kpt #: 269 total cpu time spent up to now is 232.6 secs Computing kpt #: 270 total cpu time spent up to now is 233.2 secs Computing kpt #: 271 total cpu time spent up to now is 233.8 secs Computing kpt #: 272 total cpu time spent up to now is 234.4 secs Computing kpt #: 273 total cpu time spent up to now is 235.0 secs Computing kpt #: 274 total cpu time spent up to now is 235.8 secs Computing kpt #: 275 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 237.3 secs Computing kpt #: 276 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 238.6 secs Computing kpt #: 277 total cpu time spent up to now is 239.3 secs Computing kpt #: 278 total cpu time spent up to now is 239.9 secs Computing kpt #: 279 total cpu time spent up to now is 240.5 secs Computing kpt #: 280 total cpu time spent up to now is 241.3 secs Computing kpt #: 281 total cpu time spent up to now is 242.1 secs Computing kpt #: 282 total cpu time spent up to now is 242.9 secs Computing kpt #: 283 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 244.2 secs Computing kpt #: 284 total cpu time spent up to now is 245.0 secs ethr = 2.94E-08, avg # of iterations = 51.9 total cpu time spent up to now is 245.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4279 PWs) bands (ev): -39.7674 -39.7674 -39.7203 -39.7203 -18.7949 -18.7949 -18.6760 -18.6760 -18.2937 -18.2937 -18.2937 -18.2937 -18.1683 -18.1683 -18.1683 -18.1683 -0.4180 -0.4180 5.3867 5.3867 6.8730 6.8730 6.8864 6.8864 6.8864 6.8864 7.0469 7.0469 7.0506 7.0506 7.0506 7.0506 7.7058 7.7058 7.7058 7.7058 9.9034 9.9034 11.6874 11.6874 11.7153 11.7153 k = 0.0116-0.0067 0.0095 ( 4280 PWs) bands (ev): -39.7674 -39.7674 -39.7203 -39.7203 -18.7949 -18.7949 -18.6760 -18.6760 -18.2937 -18.2937 -18.2937 -18.2937 -18.1683 -18.1683 -18.1683 -18.1683 -0.4167 -0.4167 5.3799 5.3799 6.8470 6.8470 6.8555 6.8555 6.8791 6.8791 7.0484 7.0484 7.0807 7.0807 7.0816 7.0816 7.7070 7.7070 7.7136 7.7136 9.9092 9.9092 11.6862 11.6863 11.7140 11.7142 k = 0.0233-0.0134 0.0190 ( 4280 PWs) bands (ev): -39.7673 -39.7673 -39.7203 -39.7203 -18.7948 -18.7948 -18.6762 -18.6762 -18.2937 -18.2937 -18.2936 -18.2936 -18.1683 -18.1683 -18.1683 -18.1683 -0.4125 -0.4125 5.3595 5.3595 6.7880 6.7880 6.7944 6.7944 6.8668 6.8668 7.0459 7.0459 7.1464 7.1464 7.1468 7.1468 7.7104 7.7104 7.7366 7.7366 9.9266 9.9266 11.6826 11.6826 11.7099 11.7115 k = 0.0349-0.0201 0.0285 ( 4280 PWs) bands (ev): -39.7672 -39.7672 -39.7204 -39.7204 -18.7947 -18.7947 -18.6765 -18.6765 -18.2936 -18.2936 -18.2934 -18.2934 -18.1684 -18.1684 -18.1683 -18.1683 -0.4056 -0.4056 5.3264 5.3264 6.7210 6.7210 6.7265 6.7265 6.8476 6.8476 7.0425 7.0425 7.2218 7.2218 7.2229 7.2229 7.7163 7.7163 7.7732 7.7732 9.9552 9.9552 11.6764 11.6764 11.7034 11.7036 k = 0.0465-0.0269 0.0380 ( 4280 PWs) bands (ev): -39.7671 -39.7671 -39.7205 -39.7205 -18.7945 -18.7945 -18.6769 -18.6769 -18.2935 -18.2935 -18.2932 -18.2932 -18.1685 -18.1685 -18.1683 -18.1683 -0.3960 -0.3960 5.2816 5.2816 6.6524 6.6524 6.6575 6.6575 6.8216 6.8216 7.0390 7.0390 7.3019 7.3019 7.3034 7.3034 7.7244 7.7244 7.8211 7.8211 9.9943 9.9943 11.6675 11.6681 11.6947 11.6979 k = 0.0581-0.0336 0.0475 ( 4288 PWs) bands (ev): -39.7670 -39.7670 -39.7206 -39.7206 -18.7943 -18.7943 -18.6775 -18.6775 -18.2935 -18.2935 -18.2930 -18.2930 -18.1687 -18.1687 -18.1683 -18.1683 -0.3837 -0.3837 5.2264 5.2264 6.5842 6.5842 6.5890 6.5890 6.7895 6.7895 7.0360 7.0360 7.3849 7.3849 7.3866 7.3866 7.7349 7.7349 7.8781 7.8781 10.0432 10.0432 11.6559 11.6559 11.6843 11.6846 k = 0.0698-0.0403 0.0570 ( 4300 PWs) bands (ev): -39.7668 -39.7668 -39.7208 -39.7208 -18.7940 -18.7940 -18.6782 -18.6782 -18.2934 -18.2934 -18.2927 -18.2927 -18.1688 -18.1688 -18.1683 -18.1683 -0.3686 -0.3686 5.1621 5.1621 6.5171 6.5171 6.5217 6.5217 6.7519 6.7519 7.0340 7.0340 7.4700 7.4700 7.4718 7.4718 7.7477 7.7477 7.9417 7.9417 10.1009 10.1009 11.6419 11.6419 11.6722 11.6740 k = 0.0814-0.0470 0.0665 ( 4304 PWs) bands (ev): -39.7666 -39.7666 -39.7210 -39.7210 -18.7937 -18.7937 -18.6789 -18.6789 -18.2933 -18.2933 -18.2923 -18.2923 -18.1690 -18.1690 -18.1683 -18.1683 -0.3508 -0.3508 5.0901 5.0901 6.4514 6.4514 6.4558 6.4558 6.7097 6.7097 7.0331 7.0331 7.5568 7.5568 7.5586 7.5586 7.7628 7.7628 8.0098 8.0098 10.1664 10.1664 11.6262 11.6262 11.6585 11.6587 k = 0.0930-0.0537 0.0760 ( 4312 PWs) bands (ev): -39.7664 -39.7664 -39.7213 -39.7213 -18.7933 -18.7933 -18.6798 -18.6798 -18.2932 -18.2932 -18.2920 -18.2920 -18.1692 -18.1692 -18.1683 -18.1683 -0.3303 -0.3303 5.0118 5.0118 6.3872 6.3872 6.3916 6.3916 6.6636 6.6636 7.0335 7.0335 7.6450 7.6450 7.6469 7.6469 7.7801 7.7801 8.0806 8.0806 10.2386 10.2386 11.6096 11.6096 11.6433 11.6435 k = 0.1047-0.0604 0.0854 ( 4312 PWs) bands (ev): -39.7661 -39.7661 -39.7215 -39.7215 -18.7929 -18.7929 -18.6808 -18.6808 -18.2931 -18.2931 -18.2915 -18.2915 -18.1694 -18.1694 -18.1684 -18.1684 -0.3072 -0.3072 4.9282 4.9282 6.3248 6.3248 6.3291 6.3291 6.6144 6.6144 7.0347 7.0347 7.7345 7.7345 7.7365 7.7365 7.7998 7.7998 8.1521 8.1521 10.3164 10.3164 11.5933 11.5933 11.6266 11.6268 k = 0.1163-0.0671 0.0949 ( 4296 PWs) bands (ev): -39.7658 -39.7658 -39.7218 -39.7218 -18.7923 -18.7923 -18.6818 -18.6818 -18.2928 -18.2928 -18.2910 -18.2910 -18.1696 -18.1696 -18.1684 -18.1684 -0.2814 -0.2814 4.8405 4.8405 6.2641 6.2641 6.2683 6.2683 6.5629 6.5629 7.0365 7.0365 7.8211 7.8211 7.8261 7.8261 7.8272 7.8272 8.2227 8.2227 10.3986 10.3986 11.5779 11.5779 11.6089 11.6093 k = 0.1279-0.0738 0.1044 ( 4304 PWs) bands (ev): -39.7655 -39.7655 -39.7221 -39.7221 -18.7918 -18.7918 -18.6831 -18.6831 -18.2927 -18.2927 -18.2905 -18.2905 -18.1699 -18.1699 -18.1684 -18.1684 -0.2530 -0.2530 4.7494 4.7494 6.2052 6.2052 6.2094 6.2094 6.5097 6.5097 7.0384 7.0384 7.8460 7.8460 7.9170 7.9170 7.9188 7.9188 8.2913 8.2913 10.4840 10.4840 11.5629 11.5629 11.5920 11.5920 k = 0.1395-0.0806 0.1139 ( 4288 PWs) bands (ev): -39.7651 -39.7651 -39.7225 -39.7225 -18.7911 -18.7911 -18.6843 -18.6843 -18.2924 -18.2924 -18.2899 -18.2899 -18.1702 -18.1702 -18.1684 -18.1684 -0.2220 -0.2220 4.6558 4.6558 6.1481 6.1481 6.1522 6.1522 6.4554 6.4554 7.0399 7.0399 7.8727 7.8727 8.0095 8.0095 8.0113 8.0113 8.3566 8.3566 10.5715 10.5715 11.5455 11.5455 11.5755 11.5772 k = 0.1512-0.0873 0.1234 ( 4288 PWs) bands (ev): -39.7648 -39.7648 -39.7229 -39.7229 -18.7904 -18.7904 -18.6857 -18.6857 -18.2922 -18.2922 -18.2893 -18.2893 -18.1705 -18.1705 -18.1684 -18.1684 -0.1884 -0.1884 4.5602 4.5602 6.0929 6.0929 6.0970 6.0970 6.4007 6.4007 7.0406 7.0406 7.9016 7.9016 8.1027 8.1027 8.1044 8.1044 8.4178 8.4178 10.6596 10.6596 11.5230 11.5230 11.5496 11.5496 k = 0.1628-0.0940 0.1329 ( 4296 PWs) bands (ev): -39.7644 -39.7644 -39.7233 -39.7233 -18.7897 -18.7897 -18.6872 -18.6872 -18.2919 -18.2919 -18.2888 -18.2888 -18.1708 -18.1708 -18.1685 -18.1685 -0.1523 -0.1523 4.4632 4.4632 6.0396 6.0396 6.0435 6.0435 6.3460 6.3460 7.0398 7.0398 7.9327 7.9327 8.1963 8.1963 8.1981 8.1981 8.4745 8.4745 10.7473 10.7473 11.4964 11.4964 11.5214 11.5214 k = 0.1744-0.1007 0.1424 ( 4280 PWs) bands (ev): -39.7639 -39.7639 -39.7237 -39.7237 -18.7889 -18.7889 -18.6887 -18.6887 -18.2917 -18.2917 -18.2881 -18.2881 -18.1710 -18.1710 -18.1685 -18.1685 -0.1138 -0.1138 4.3651 4.3651 5.9881 5.9881 5.9920 5.9920 6.2917 6.2917 7.0369 7.0369 7.9661 7.9661 8.2904 8.2904 8.2921 8.2921 8.5265 8.5265 10.8332 10.8332 11.4669 11.4669 11.4911 11.4911 k = 0.1860-0.1074 0.1519 ( 4280 PWs) bands (ev): -39.7635 -39.7635 -39.7242 -39.7242 -18.7881 -18.7881 -18.6903 -18.6903 -18.2914 -18.2914 -18.2875 -18.2875 -18.1714 -18.1714 -18.1686 -18.1686 -0.0727 -0.0727 4.2664 4.2664 5.9385 5.9385 5.9423 5.9423 6.2383 6.2383 7.0313 7.0313 8.0017 8.0017 8.3845 8.3845 8.3862 8.3862 8.5739 8.5739 10.9160 10.9160 11.4352 11.4352 11.4589 11.4589 k = 0.1977-0.1141 0.1614 ( 4272 PWs) bands (ev): -39.7630 -39.7630 -39.7247 -39.7247 -18.7872 -18.7872 -18.6920 -18.6920 -18.2911 -18.2911 -18.2869 -18.2869 -18.1716 -18.1716 -18.1686 -18.1686 -0.0293 -0.0293 4.1673 4.1673 5.8908 5.8908 5.8946 5.8946 6.1861 6.1861 7.0225 7.0225 8.0396 8.0396 8.4786 8.4786 8.4802 8.4802 8.6173 8.6173 10.9944 10.9944 11.4015 11.4015 11.4248 11.4248 k = 0.2093-0.1208 0.1709 ( 4280 PWs) bands (ev): -39.7625 -39.7625 -39.7252 -39.7252 -18.7863 -18.7863 -18.6938 -18.6938 -18.2907 -18.2907 -18.2862 -18.2862 -18.1720 -18.1720 -18.1687 -18.1687 0.0165 0.0165 4.0681 4.0681 5.8449 5.8449 5.8486 5.8486 6.1355 6.1355 7.0099 7.0099 8.0797 8.0797 8.5723 8.5723 8.5740 8.5740 8.6575 8.6575 11.0670 11.0670 11.3663 11.3663 11.3892 11.3892 k = 0.2209-0.1276 0.1804 ( 4284 PWs) bands (ev): -39.7619 -39.7619 -39.7257 -39.7257 -18.7853 -18.7853 -18.6956 -18.6956 -18.2904 -18.2904 -18.2856 -18.2856 -18.1723 -18.1723 -18.1688 -18.1688 0.0646 0.0646 3.9689 3.9689 5.8010 5.8010 5.8046 5.8046 6.0866 6.0866 6.9930 6.9930 8.1220 8.1220 8.6657 8.6657 8.6672 8.6672 8.6955 8.6955 11.1329 11.1329 11.3297 11.3297 11.3523 11.3523 k = 0.2326-0.1343 0.1899 ( 4284 PWs) bands (ev): -39.7613 -39.7613 -39.7263 -39.7263 -18.7843 -18.7843 -18.6975 -18.6975 -18.2901 -18.2901 -18.2850 -18.2850 -18.1726 -18.1726 -18.1689 -18.1689 0.1150 0.1150 3.8700 3.8700 5.7589 5.7589 5.7624 5.7624 6.0399 6.0399 6.9714 6.9714 8.1665 8.1665 8.7321 8.7321 8.7583 8.7583 8.7600 8.7600 11.1910 11.1910 11.2921 11.2921 11.3143 11.3143 k = 0.2442-0.1410 0.1994 ( 4276 PWs) bands (ev): -39.7608 -39.7608 -39.7268 -39.7268 -18.7832 -18.7832 -18.6995 -18.6995 -18.2897 -18.2897 -18.2844 -18.2844 -18.1729 -18.1729 -18.1690 -18.1690 0.1676 0.1676 3.7714 3.7714 5.7187 5.7187 5.7222 5.7222 5.9954 5.9954 6.9449 6.9449 8.2132 8.2132 8.7690 8.7690 8.8499 8.8499 8.8517 8.8517 11.2404 11.2404 11.2537 11.2537 11.2754 11.2754 k = 0.2558-0.1477 0.2089 ( 4260 PWs) bands (ev): -39.7602 -39.7602 -39.7275 -39.7275 -18.7820 -18.7820 -18.7015 -18.7015 -18.2892 -18.2892 -18.2837 -18.2837 -18.1731 -18.1731 -18.1691 -18.1691 0.2223 0.2223 3.6733 3.6733 5.6805 5.6805 5.6838 5.6838 5.9533 5.9533 6.9135 6.9135 8.2620 8.2620 8.8069 8.8069 8.9404 8.9404 8.9422 8.9422 11.2146 11.2146 11.2358 11.2358 11.2808 11.2808 k = 0.2674-0.1544 0.2184 ( 4280 PWs) bands (ev): -39.7595 -39.7595 -39.7281 -39.7281 -18.7808 -18.7808 -18.7036 -18.7036 -18.2889 -18.2889 -18.2832 -18.2832 -18.1734 -18.1734 -18.1692 -18.1692 0.2792 0.2792 3.5756 3.5756 5.6440 5.6440 5.6472 5.6472 5.9140 5.9140 6.8772 6.8772 8.3129 8.3129 8.8467 8.8467 9.0294 9.0294 9.0312 9.0312 11.1752 11.1752 11.1958 11.1958 11.3115 11.3115 k = 0.2791-0.1611 0.2279 ( 4304 PWs) bands (ev): -39.7589 -39.7589 -39.7287 -39.7287 -18.7796 -18.7796 -18.7057 -18.7057 -18.2885 -18.2885 -18.2827 -18.2827 -18.1737 -18.1737 -18.1694 -18.1694 0.3381 0.3381 3.4785 3.4785 5.6094 5.6094 5.6125 5.6125 5.8774 5.8774 6.8361 6.8361 8.3659 8.3659 8.8893 8.8893 9.1167 9.1167 9.1185 9.1185 11.1355 11.1355 11.1555 11.1555 11.3327 11.3327 k = 0.2907-0.1678 0.2374 ( 4296 PWs) bands (ev): -39.7582 -39.7582 -39.7294 -39.7294 -18.7783 -18.7783 -18.7078 -18.7078 -18.2881 -18.2881 -18.2822 -18.2822 -18.1739 -18.1739 -18.1696 -18.1696 0.3989 0.3989 3.3820 3.3820 5.5767 5.5767 5.5796 5.5796 5.8439 5.8439 6.7908 6.7908 8.4210 8.4210 8.9352 8.9352 9.2021 9.2021 9.2041 9.2041 11.0958 11.0958 11.1152 11.1152 11.3045 11.3045 k = 0.3023-0.1745 0.2468 ( 4292 PWs) bands (ev): -39.7575 -39.7575 -39.7301 -39.7301 -18.7769 -18.7769 -18.7100 -18.7100 -18.2876 -18.2876 -18.2818 -18.2818 -18.1741 -18.1741 -18.1697 -18.1697 0.4617 0.4617 3.2862 3.2862 5.5458 5.5458 5.5486 5.5486 5.8135 5.8135 6.7417 6.7417 8.4782 8.4782 8.9848 8.9848 9.2853 9.2853 9.2874 9.2874 11.0562 11.0562 11.0750 11.0750 11.2231 11.2231 k = 0.3140-0.1813 0.2563 ( 4292 PWs) bands (ev): -39.7568 -39.7568 -39.7308 -39.7308 -18.7756 -18.7756 -18.7121 -18.7121 -18.2872 -18.2872 -18.2813 -18.2813 -18.1743 -18.1743 -18.1699 -18.1699 0.5263 0.5263 3.1910 3.1910 5.5167 5.5167 5.5194 5.5194 5.7863 5.7863 6.6893 6.6893 8.5374 8.5374 9.0383 9.0383 9.3661 9.3661 9.3683 9.3683 11.0168 11.0168 11.0350 11.0350 11.1399 11.1399 k = 0.3256-0.1880 0.2658 ( 4304 PWs) bands (ev): -39.7561 -39.7561 -39.7315 -39.7315 -18.7742 -18.7742 -18.7143 -18.7143 -18.2868 -18.2868 -18.2810 -18.2810 -18.1744 -18.1744 -18.1700 -18.1700 0.5927 0.5927 3.0964 3.0964 5.4894 5.4894 5.4920 5.4920 5.7625 5.7625 6.6342 6.6342 8.5986 8.5986 9.0956 9.0956 9.4442 9.4442 9.4466 9.4466 10.9777 10.9777 10.9953 10.9953 11.0552 11.0552 k = 0.3372-0.1947 0.2753 ( 4304 PWs) bands (ev): -39.7553 -39.7553 -39.7323 -39.7323 -18.7727 -18.7727 -18.7165 -18.7165 -18.2864 -18.2864 -18.2806 -18.2806 -18.1745 -18.1745 -18.1702 -18.1702 0.6608 0.6608 3.0025 3.0025 5.4640 5.4640 5.4664 5.4664 5.7421 5.7421 6.5771 6.5771 8.6617 8.6617 9.1571 9.1571 9.5196 9.5196 9.5221 9.5221 10.9390 10.9390 10.9560 10.9560 10.9692 10.9692 k = 0.3488-0.2014 0.2848 ( 4288 PWs) bands (ev): -39.7546 -39.7546 -39.7330 -39.7330 -18.7711 -18.7711 -18.7188 -18.7188 -18.2859 -18.2859 -18.2803 -18.2803 -18.1746 -18.1746 -18.1704 -18.1704 0.7305 0.7305 2.9093 2.9093 5.4404 5.4404 5.4426 5.4426 5.7253 5.7253 6.5187 6.5187 8.7268 8.7268 9.2224 9.2224 9.5919 9.5919 9.5947 9.5947 10.8817 10.8817 10.9012 10.9012 10.9172 10.9173 k = 0.3605-0.2081 0.2943 ( 4280 PWs) bands (ev): -39.7538 -39.7538 -39.7338 -39.7338 -18.7695 -18.7695 -18.7210 -18.7210 -18.2854 -18.2854 -18.2800 -18.2800 -18.1747 -18.1747 -18.1706 -18.1706 0.8017 0.8017 2.8167 2.8167 5.4186 5.4186 5.4207 5.4207 5.7122 5.7122 6.4593 6.4593 8.7938 8.7938 9.2915 9.2915 9.6611 9.6611 9.6641 9.6641 10.7936 10.7936 10.8636 10.8636 10.8791 10.8791 k = 0.3721-0.2148 0.3038 ( 4284 PWs) bands (ev): -39.7530 -39.7530 -39.7346 -39.7346 -18.7679 -18.7679 -18.7232 -18.7232 -18.2850 -18.2850 -18.2798 -18.2798 -18.1747 -18.1747 -18.1708 -18.1708 0.8745 0.8745 2.7247 2.7247 5.3985 5.3985 5.4005 5.4005 5.7027 5.7027 6.3997 6.3997 8.8626 8.8626 9.3641 9.3641 9.7271 9.7271 9.7303 9.7303 10.7047 10.7047 10.8268 10.8268 10.8415 10.8415 k = 0.3837-0.2215 0.3133 ( 4292 PWs) bands (ev): -39.7522 -39.7522 -39.7354 -39.7354 -18.7662 -18.7662 -18.7255 -18.7255 -18.2845 -18.2845 -18.2797 -18.2797 -18.1747 -18.1747 -18.1710 -18.1710 0.9487 0.9487 2.6333 2.6333 5.3803 5.3803 5.3821 5.3821 5.6970 5.6970 6.3404 6.3404 8.9332 8.9332 9.4399 9.4399 9.7896 9.7896 9.7931 9.7931 10.6152 10.6152 10.7907 10.7907 10.8047 10.8047 k = 0.3953-0.2283 0.3228 ( 4292 PWs) bands (ev): -39.7514 -39.7514 -39.7362 -39.7362 -18.7645 -18.7645 -18.7277 -18.7277 -18.2841 -18.2841 -18.2796 -18.2796 -18.1747 -18.1747 -18.1713 -18.1713 1.0242 1.0242 2.5425 2.5425 5.3638 5.3638 5.3654 5.3654 5.6950 5.6950 6.2819 6.2819 9.0056 9.0056 9.5188 9.5188 9.8487 9.8487 9.8524 9.8524 10.5254 10.5254 10.7554 10.7554 10.7687 10.7687 k = 0.4070-0.2350 0.3323 ( 4292 PWs) bands (ev): -39.7506 -39.7506 -39.7370 -39.7370 -18.7628 -18.7628 -18.7300 -18.7300 -18.2836 -18.2836 -18.2795 -18.2795 -18.1746 -18.1746 -18.1715 -18.1715 1.1010 1.1010 2.4523 2.4523 5.3491 5.3491 5.3505 5.3505 5.6970 5.6970 6.2246 6.2246 9.0796 9.0796 9.6005 9.6005 9.9043 9.9043 9.9082 9.9082 10.4353 10.4353 10.7212 10.7212 10.7336 10.7336 k = 0.4186-0.2417 0.3418 ( 4288 PWs) bands (ev): -39.7497 -39.7497 -39.7378 -39.7378 -18.7610 -18.7610 -18.7322 -18.7322 -18.2832 -18.2832 -18.2795 -18.2795 -18.1745 -18.1745 -18.1717 -18.1717 1.1789 1.1789 2.3627 2.3627 5.3361 5.3361 5.3374 5.3374 5.7028 5.7028 6.1690 6.1690 9.1553 9.1553 9.6847 9.6847 9.9560 9.9560 9.9601 9.9601 10.3452 10.3452 10.6882 10.6882 10.6997 10.6997 k = 0.4302-0.2484 0.3513 ( 4296 PWs) bands (ev): -39.7489 -39.7489 -39.7387 -39.7387 -18.7591 -18.7591 -18.7344 -18.7344 -18.2828 -18.2828 -18.2796 -18.2796 -18.1744 -18.1744 -18.1720 -18.1720 1.2580 1.2580 2.2737 2.2737 5.3249 5.3249 5.3260 5.3260 5.7124 5.7124 6.1154 6.1154 9.2326 9.2326 9.7710 9.7710 10.0038 10.0038 10.0079 10.0079 10.2553 10.2553 10.6566 10.6566 10.6671 10.6671 k = 0.4419-0.2551 0.3608 ( 4288 PWs) bands (ev): -39.7481 -39.7481 -39.7395 -39.7395 -18.7572 -18.7572 -18.7366 -18.7366 -18.2824 -18.2824 -18.2796 -18.2796 -18.1743 -18.1743 -18.1722 -18.1722 1.3382 1.3382 2.1853 2.1853 5.3154 5.3154 5.3164 5.3164 5.7260 5.7260 6.0641 6.0641 9.3115 9.3115 9.8592 9.8592 10.0473 10.0473 10.0512 10.0512 10.1658 10.1658 10.6270 10.6270 10.6363 10.6363 k = 0.4535-0.2618 0.3703 ( 4280 PWs) bands (ev): -39.7472 -39.7472 -39.7404 -39.7404 -18.7553 -18.7553 -18.7387 -18.7387 -18.2820 -18.2820 -18.2797 -18.2797 -18.1741 -18.1741 -18.1724 -18.1724 1.4193 1.4193 2.0975 2.0975 5.3077 5.3077 5.3085 5.3085 5.7435 5.7435 6.0154 6.0154 9.3917 9.3917 9.9488 9.9488 10.0745 10.0745 10.0858 10.0858 10.0917 10.0917 10.6000 10.6000 10.6078 10.6079 k = 0.4651-0.2685 0.3798 ( 4280 PWs) bands (ev): -39.7464 -39.7464 -39.7412 -39.7412 -18.7534 -18.7534 -18.7409 -18.7409 -18.2816 -18.2816 -18.2799 -18.2799 -18.1740 -18.1740 -18.1727 -18.1727 1.5013 1.5013 2.0103 2.0103 5.3018 5.3018 5.3023 5.3023 5.7648 5.7648 5.9696 5.9696 9.4734 9.4734 9.9868 9.9868 10.0404 10.0404 10.1184 10.1184 10.1221 10.1221 10.5767 10.5768 10.5796 10.5798 k = 0.4767-0.2752 0.3893 ( 4268 PWs) bands (ev): -39.7455 -39.7455 -39.7421 -39.7421 -18.7513 -18.7513 -18.7430 -18.7430 -18.2812 -18.2812 -18.2801 -18.2801 -18.1738 -18.1738 -18.1729 -18.1729 1.5843 1.5843 1.9237 1.9237 5.2975 5.2975 5.2979 5.2979 5.7899 5.7899 5.9268 5.9268 9.5563 9.5563 9.8992 9.8992 10.1315 10.1315 10.1439 10.1439 10.1469 10.1469 10.4979 10.4979 10.5586 10.5586 k = 0.4884-0.2820 0.3988 ( 4264 PWs) bands (ev): -39.7447 -39.7447 -39.7429 -39.7429 -18.7493 -18.7493 -18.7451 -18.7451 -18.2809 -18.2809 -18.2803 -18.2803 -18.1736 -18.1736 -18.1731 -18.1731 1.6680 1.6680 1.8378 1.8378 5.2950 5.2950 5.2952 5.2952 5.8188 5.8188 5.8874 5.8874 9.6405 9.6405 9.8121 9.8121 10.1605 10.1605 10.1620 10.1620 10.2240 10.2240 10.4075 10.4075 10.5476 10.5496 k = 0.5000-0.2887 0.4082 ( 4264 PWs) bands (ev): -39.7438 -39.7438 -39.7438 -39.7438 -18.7472 -18.7472 -18.7472 -18.7472 -18.2806 -18.2806 -18.2806 -18.2806 -18.1734 -18.1734 -18.1734 -18.1734 1.7525 1.7525 1.7525 1.7525 5.2942 5.2942 5.2943 5.2943 5.8513 5.8513 5.8513 5.8513 9.7258 9.7258 9.7258 9.7258 10.1668 10.1668 10.1668 10.1668 10.3160 10.3160 10.3160 10.3160 10.5442 10.5442 k = 0.5000-0.2887 0.4082 ( 4264 PWs) bands (ev): -39.7438 -39.7438 -39.7438 -39.7438 -18.7472 -18.7472 -18.7472 -18.7472 -18.2806 -18.2806 -18.2806 -18.2806 -18.1734 -18.1734 -18.1734 -18.1734 1.7525 1.7525 1.7525 1.7525 5.2942 5.2942 5.2943 5.2943 5.8513 5.8513 5.8513 5.8513 9.7258 9.7258 9.7258 9.7258 10.1668 10.1668 10.1668 10.1668 10.3160 10.3160 10.3160 10.3160 10.5442 10.5442 k = 0.5000-0.2756 0.4175 ( 4264 PWs) bands (ev): -39.7438 -39.7438 -39.7438 -39.7438 -18.7476 -18.7476 -18.7469 -18.7469 -18.2826 -18.2826 -18.2785 -18.2785 -18.1751 -18.1751 -18.1717 -18.1717 1.7529 1.7529 1.7530 1.7530 5.2808 5.2808 5.2818 5.2818 5.8662 5.8662 5.8670 5.8670 9.7185 9.7185 9.7192 9.7192 10.1685 10.1685 10.1689 10.1689 10.2944 10.2944 10.2992 10.2992 10.5663 10.5696 k = 0.5000-0.2624 0.4268 ( 4274 PWs) bands (ev): -39.7438 -39.7438 -39.7438 -39.7438 -18.7480 -18.7480 -18.7465 -18.7465 -18.2846 -18.2846 -18.2763 -18.2763 -18.1769 -18.1769 -18.1701 -18.1701 1.7540 1.7540 1.7543 1.7543 5.2451 5.2451 5.2470 5.2470 5.9081 5.9081 5.9095 5.9095 9.6974 9.6974 9.6989 9.6989 10.1732 10.1732 10.1732 10.1732 10.2531 10.2531 10.2595 10.2595 10.6221 10.6233 k = 0.5000-0.2493 0.4361 ( 4278 PWs) bands (ev): -39.7438 -39.7438 -39.7438 -39.7438 -18.7484 -18.7484 -18.7462 -18.7462 -18.2865 -18.2865 -18.2741 -18.2741 -18.1788 -18.1788 -18.1686 -18.1686 1.7559 1.7559 1.7564 1.7564 5.1948 5.1948 5.1973 5.1973 5.9695 5.9695 5.9713 5.9713 9.6628 9.6628 9.6650 9.6650 10.1695 10.1695 10.1741 10.1741 10.2198 10.2198 10.2222 10.2222 10.6911 10.6945 k = 0.5000-0.2362 0.4454 ( 4282 PWs) bands (ev): -39.7438 -39.7438 -39.7438 -39.7438 -18.7487 -18.7487 -18.7458 -18.7458 -18.2884 -18.2884 -18.2718 -18.2718 -18.1807 -18.1807 -18.1671 -18.1671 1.7585 1.7585 1.7592 1.7592 5.1364 5.1364 5.1393 5.1393 6.0439 6.0439 6.0458 6.0458 9.6155 9.6155 9.6180 9.6180 10.1403 10.1403 10.1507 10.1507 10.2159 10.2159 10.2192 10.2192 10.7661 10.7672 k = 0.5000-0.2231 0.4546 ( 4282 PWs) bands (ev): -39.7438 -39.7438 -39.7438 -39.7438 -18.7491 -18.7491 -18.7455 -18.7455 -18.2901 -18.2901 -18.2695 -18.2695 -18.1827 -18.1827 -18.1657 -18.1657 1.7619 1.7619 1.7627 1.7627 5.0742 5.0742 5.0774 5.0774 6.1270 6.1270 6.1290 6.1290 9.5566 9.5566 9.5593 9.5593 10.1045 10.1045 10.1160 10.1160 10.2293 10.2293 10.2340 10.2340 10.8424 10.8439 k = 0.5000-0.2099 0.4639 ( 4282 PWs) bands (ev): -39.7438 -39.7438 -39.7438 -39.7438 -18.7494 -18.7494 -18.7451 -18.7451 -18.2918 -18.2918 -18.2672 -18.2672 -18.1847 -18.1847 -18.1643 -18.1643 1.7659 1.7659 1.7669 1.7669 5.0108 5.0108 5.0142 5.0142 6.2160 6.2160 6.2180 6.2180 9.4877 9.4877 9.4905 9.4905 10.0726 10.0726 10.0843 10.0843 10.2482 10.2482 10.2535 10.2535 10.9179 10.9187 k = 0.5000-0.1968 0.4732 ( 4274 PWs) bands (ev): -39.7438 -39.7438 -39.7438 -39.7438 -18.7497 -18.7497 -18.7448 -18.7448 -18.2934 -18.2934 -18.2648 -18.2648 -18.1867 -18.1867 -18.1631 -18.1631 1.7705 1.7705 1.7716 1.7716 4.9478 4.9478 4.9514 4.9514 6.3095 6.3095 6.3114 6.3114 9.4108 9.4108 9.4134 9.4134 10.0456 10.0456 10.0574 10.0574 10.2698 10.2698 10.2757 10.2757 10.9916 10.9920 k = 0.5000-0.1837 0.4825 ( 4282 PWs) bands (ev): -39.7438 -39.7438 -39.7438 -39.7438 -18.7501 -18.7501 -18.7445 -18.7445 -18.2949 -18.2949 -18.2623 -18.2623 -18.1889 -18.1889 -18.1619 -18.1619 1.7755 1.7755 1.7768 1.7768 4.8862 4.8862 4.8901 4.8901 6.4062 6.4062 6.4081 6.4081 9.3275 9.3275 9.3298 9.3298 10.0231 10.0231 10.0347 10.0347 10.2931 10.2931 10.2995 10.2995 11.0625 11.0635 k = 0.5000-0.1706 0.4918 ( 4276 PWs) bands (ev): -39.7438 -39.7438 -39.7438 -39.7438 -18.7503 -18.7503 -18.7441 -18.7441 -18.2963 -18.2963 -18.2599 -18.2599 -18.1910 -18.1910 -18.1608 -18.1608 1.7810 1.7810 1.7825 1.7825 4.8269 4.8269 4.8309 4.8309 6.5057 6.5057 6.5075 6.5075 9.2392 9.2392 9.2413 9.2413 10.0043 10.0043 10.0157 10.0157 10.3176 10.3176 10.3245 10.3245 11.1280 11.1302 k = 0.5000-0.1575 0.5010 ( 4284 PWs) bands (ev): -39.7438 -39.7438 -39.7438 -39.7438 -18.7506 -18.7506 -18.7439 -18.7439 -18.2976 -18.2976 -18.2574 -18.2574 -18.1932 -18.1932 -18.1598 -18.1598 1.7868 1.7868 1.7884 1.7884 4.7703 4.7703 4.7745 4.7745 6.6072 6.6072 6.6089 6.6089 9.1469 9.1469 9.1487 9.1487 9.9885 9.9885 9.9997 9.9997 10.3429 10.3429 10.3503 10.3503 11.1887 11.1895 k = 0.5000-0.1443 0.5103 ( 4278 PWs) bands (ev): -39.7438 -39.7438 -39.7438 -39.7438 -18.7509 -18.7509 -18.7436 -18.7436 -18.2988 -18.2988 -18.2549 -18.2549 -18.1955 -18.1955 -18.1588 -18.1588 1.7927 1.7927 1.7945 1.7945 4.7169 4.7169 4.7212 4.7212 6.7106 6.7106 6.7122 6.7122 9.0516 9.0516 9.0531 9.0531 9.9752 9.9752 9.9861 9.9861 10.3686 10.3686 10.3765 10.3765 11.2429 11.2434 k = 0.5000-0.1312 0.5196 ( 4278 PWs) bands (ev): -39.7438 -39.7438 -39.7438 -39.7438 -18.7511 -18.7511 -18.7433 -18.7433 -18.2999 -18.2999 -18.2524 -18.2524 -18.1977 -18.1977 -18.1580 -18.1580 1.7988 1.7988 1.8007 1.8007 4.6671 4.6671 4.6715 4.6715 6.8154 6.8154 6.8169 6.8169 8.9537 8.9537 8.9550 8.9550 9.9639 9.9639 9.9747 9.9747 10.3943 10.3943 10.4027 10.4027 11.2891 11.2895 k = 0.5000-0.1181 0.5289 ( 4280 PWs) bands (ev): -39.7438 -39.7438 -39.7438 -39.7438 -18.7514 -18.7514 -18.7431 -18.7431 -18.3010 -18.3010 -18.2499 -18.2499 -18.2000 -18.2000 -18.1572 -18.1572 1.8047 1.8047 1.8068 1.8068 4.6211 4.6211 4.6256 4.6256 6.9214 6.9214 6.9228 6.9228 8.8538 8.8538 8.8549 8.8549 9.9543 9.9543 9.9649 9.9649 10.4198 10.4198 10.4286 10.4286 11.3280 11.3282 k = 0.5000-0.1050 0.5381 ( 4276 PWs) bands (ev): -39.7438 -39.7438 -39.7438 -39.7438 -18.7516 -18.7516 -18.7429 -18.7429 -18.3019 -18.3019 -18.2474 -18.2474 -18.2023 -18.2023 -18.1565 -18.1565 1.8105 1.8105 1.8127 1.8127 4.5792 4.5792 4.5838 4.5838 7.0284 7.0284 7.0297 7.0297 8.7522 8.7522 8.7531 8.7531 9.9463 9.9463 9.9568 9.9568 10.4445 10.4445 10.4538 10.4538 11.3587 11.3590 k = 0.5000-0.0919 0.5474 ( 4278 PWs) bands (ev): -39.7438 -39.7438 -39.7438 -39.7438 -18.7518 -18.7518 -18.7427 -18.7427 -18.3027 -18.3027 -18.2449 -18.2449 -18.2046 -18.2046 -18.1559 -18.1559 1.8160 1.8160 1.8183 1.8183 4.5416 4.5416 4.5464 4.5464 7.1362 7.1362 7.1374 7.1374 8.6492 8.6492 8.6498 8.6498 9.9395 9.9395 9.9499 9.9499 10.4680 10.4680 10.4778 10.4778 11.3816 11.3824 k = 0.5000-0.0787 0.5567 ( 4278 PWs) bands (ev): -39.7438 -39.7438 -39.7438 -39.7438 -18.7519 -18.7519 -18.7425 -18.7425 -18.3034 -18.3034 -18.2425 -18.2425 -18.2068 -18.2068 -18.1553 -18.1553 1.8211 1.8211 1.8235 1.8235 4.5086 4.5086 4.5135 4.5135 7.2447 7.2447 7.2457 7.2457 8.5450 8.5450 8.5454 8.5454 9.9339 9.9339 9.9442 9.9442 10.4899 10.4899 10.5001 10.5001 11.3977 11.3996 k = 0.5000-0.0656 0.5660 ( 4280 PWs) bands (ev): -39.7438 -39.7438 -39.7438 -39.7438 -18.7521 -18.7521 -18.7424 -18.7424 -18.3040 -18.3040 -18.2401 -18.2401 -18.2091 -18.2091 -18.1549 -18.1549 1.8256 1.8256 1.8280 1.8280 4.4803 4.4803 4.4853 4.4853 7.3536 7.3536 7.3544 7.3544 8.4396 8.4396 8.4398 8.4398 9.9293 9.9293 9.9395 9.9395 10.5096 10.5096 10.5203 10.5203 11.4094 11.4106 k = 0.5000-0.0525 0.5753 ( 4282 PWs) bands (ev): -39.7438 -39.7438 -39.7438 -39.7438 -18.7522 -18.7522 -18.7423 -18.7423 -18.3045 -18.3045 -18.2379 -18.2379 -18.2112 -18.2112 -18.1545 -18.1545 1.8295 1.8295 1.8320 1.8320 4.4570 4.4570 4.4620 4.4620 7.4628 7.4628 7.4635 7.4635 8.3334 8.3334 8.3335 8.3335 9.9257 9.9257 9.9358 9.9358 10.5267 10.5267 10.5378 10.5378 11.4153 11.4175 k = 0.5000-0.0394 0.5845 ( 4278 PWs) bands (ev): -39.7438 -39.7438 -39.7438 -39.7438 -18.7523 -18.7523 -18.7422 -18.7422 -18.3049 -18.3049 -18.2359 -18.2359 -18.2131 -18.2131 -18.1542 -18.1542 1.8326 1.8326 1.8351 1.8351 4.4387 4.4387 4.4437 4.4437 7.5721 7.5721 7.5726 7.5726 8.2263 8.2263 8.2265 8.2265 9.9230 9.9230 9.9331 9.9331 10.5407 10.5407 10.5521 10.5521 11.4187 11.4210 k = 0.5000-0.0262 0.5938 ( 4272 PWs) bands (ev): -39.7438 -39.7438 -39.7438 -39.7438 -18.7523 -18.7523 -18.7421 -18.7421 -18.3051 -18.3051 -18.2342 -18.2342 -18.2147 -18.2147 -18.1540 -18.1540 1.8348 1.8348 1.8374 1.8374 4.4255 4.4255 4.4306 4.4306 7.6814 7.6814 7.6817 7.6817 8.1186 8.1186 8.1191 8.1191 9.9210 9.9210 9.9311 9.9311 10.5510 10.5510 10.5627 10.5627 11.4206 11.4224 k = 0.5000-0.0131 0.6031 ( 4284 PWs) bands (ev): -39.7438 -39.7438 -39.7438 -39.7438 -18.7524 -18.7524 -18.7421 -18.7421 -18.3053 -18.3053 -18.2330 -18.2330 -18.2159 -18.2159 -18.1539 -18.1539 1.8362 1.8362 1.8388 1.8388 4.4176 4.4176 4.4227 4.4227 7.7900 7.7900 7.7903 7.7903 8.0107 8.0107 8.0118 8.0118 9.9199 9.9199 9.9299 9.9299 10.5573 10.5573 10.5692 10.5692 11.4214 11.4236 k = 0.5000-0.0000 0.6124 ( 4284 PWs) bands (ev): -39.7438 -39.7438 -39.7438 -39.7438 -18.7524 -18.7524 -18.7421 -18.7421 -18.3054 -18.3054 -18.2326 -18.2326 -18.2163 -18.2163 -18.1538 -18.1538 1.8367 1.8367 1.8393 1.8393 4.4149 4.4149 4.4200 4.4200 7.8803 7.8803 7.8851 7.8851 7.9162 7.9162 7.9218 7.9218 9.9195 9.9195 9.9296 9.9296 10.5595 10.5595 10.5714 10.5714 11.4208 11.4249 k = 0.5000-0.0000 0.6124 ( 4284 PWs) bands (ev): -39.7438 -39.7438 -39.7438 -39.7438 -18.7524 -18.7524 -18.7421 -18.7421 -18.3054 -18.3054 -18.2326 -18.2326 -18.2163 -18.2163 -18.1538 -18.1538 1.8367 1.8367 1.8393 1.8393 4.4149 4.4149 4.4200 4.4200 7.8803 7.8803 7.8851 7.8851 7.9162 7.9162 7.9218 7.9218 9.9195 9.9195 9.9296 9.9296 10.5595 10.5595 10.5714 10.5714 11.4212 11.4236 k = 0.4917 0.0144 0.6124 ( 4284 PWs) bands (ev): -39.7442 -39.7442 -39.7434 -39.7434 -18.7525 -18.7525 -18.7420 -18.7420 -18.3054 -18.3054 -18.2328 -18.2328 -18.2161 -18.2161 -18.1539 -18.1539 1.8030 1.8030 1.8723 1.8723 4.3811 4.3811 4.4587 4.4587 7.7624 7.7624 7.8748 7.8748 7.9781 7.9781 7.9880 7.9880 9.8824 9.8824 9.9660 9.9660 10.5578 10.5578 10.5700 10.5700 11.3923 11.3924 k = 0.4833 0.0289 0.6124 ( 4276 PWs) bands (ev): -39.7446 -39.7446 -39.7430 -39.7430 -18.7527 -18.7527 -18.7417 -18.7417 -18.3053 -18.3053 -18.2334 -18.2334 -18.2155 -18.2155 -18.1539 -18.1539 1.7703 1.7703 1.9030 1.9030 4.3470 4.3470 4.5071 4.5071 7.6257 7.6257 7.8549 7.8549 8.0508 8.0508 8.0721 8.0721 9.8408 9.8408 10.0060 10.0060 10.5509 10.5509 10.5686 10.5686 11.3591 11.3591 k = 0.4750 0.0433 0.6124 ( 4283 PWs) bands (ev): -39.7450 -39.7450 -39.7426 -39.7426 -18.7531 -18.7531 -18.7414 -18.7414 -18.3052 -18.3052 -18.2343 -18.2343 -18.2147 -18.2147 -18.1540 -18.1540 1.7400 1.7400 1.9300 1.9300 4.3152 4.3152 4.5627 4.5627 7.4881 7.4881 7.8353 7.8353 8.1239 8.1239 8.1560 8.1560 9.7991 9.7991 10.0448 10.0448 10.5371 10.5371 10.5697 10.5697 11.3233 11.3234 k = 0.4667 0.0577 0.6124 ( 4281 PWs) bands (ev): -39.7453 -39.7453 -39.7422 -39.7422 -18.7534 -18.7534 -18.7409 -18.7409 -18.3051 -18.3051 -18.2353 -18.2353 -18.2137 -18.2137 -18.1541 -18.1541 1.7121 1.7121 1.9536 1.9536 4.2856 4.2856 4.6251 4.6251 7.3506 7.3506 7.8168 7.8168 8.1965 8.1965 8.2390 8.2390 9.7574 9.7574 10.0820 10.0820 10.5185 10.5185 10.5729 10.5729 11.2855 11.2855 k = 0.4583 0.0722 0.6124 ( 4280 PWs) bands (ev): -39.7457 -39.7457 -39.7419 -39.7419 -18.7539 -18.7539 -18.7405 -18.7405 -18.3049 -18.3049 -18.2364 -18.2364 -18.2126 -18.2126 -18.1542 -18.1542 1.6865 1.6865 1.9740 1.9740 4.2585 4.2585 4.6938 4.6938 7.2138 7.2138 7.7997 7.7997 8.2677 8.2677 8.3206 8.3206 9.7158 9.7158 10.1170 10.1170 10.4968 10.4968 10.5777 10.5777 11.2461 11.2461 k = 0.4500 0.0866 0.6124 ( 4282 PWs) bands (ev): -39.7460 -39.7460 -39.7416 -39.7416 -18.7543 -18.7543 -18.7400 -18.7400 -18.3047 -18.3047 -18.2375 -18.2375 -18.2116 -18.2116 -18.1544 -18.1544 1.6634 1.6634 1.9914 1.9914 4.2337 4.2337 4.7681 4.7681 7.0781 7.0781 7.7840 7.7840 8.3369 8.3369 8.4002 8.4002 9.6744 9.6744 10.1491 10.1491 10.4738 10.4738 10.5843 10.5843 11.2054 11.2054 k = 0.4417 0.1010 0.6124 ( 4284 PWs) bands (ev): -39.7462 -39.7462 -39.7414 -39.7414 -18.7547 -18.7547 -18.7395 -18.7395 -18.3046 -18.3046 -18.2386 -18.2386 -18.2105 -18.2105 -18.1545 -18.1545 1.6426 1.6426 2.0061 2.0061 4.2114 4.2114 4.8474 4.8474 6.9444 6.9444 7.7698 7.7698 8.4031 8.4031 8.4776 8.4776 9.6331 9.6331 10.1770 10.1770 10.4515 10.4515 10.5925 10.5925 11.1642 11.1642 k = 0.4333 0.1155 0.6124 ( 4278 PWs) bands (ev): -39.7465 -39.7465 -39.7411 -39.7411 -18.7551 -18.7551 -18.7391 -18.7391 -18.3044 -18.3044 -18.2396 -18.2396 -18.2095 -18.2095 -18.1547 -18.1547 1.6243 1.6243 2.0183 2.0183 4.1917 4.1917 4.9308 4.9308 6.8134 6.8134 7.7573 7.7573 8.4656 8.4656 8.5519 8.5519 9.5923 9.5923 10.1991 10.1991 10.4322 10.4322 10.6023 10.6023 11.1230 11.1230 k = 0.4250 0.1299 0.6124 ( 4282 PWs) bands (ev): -39.7467 -39.7467 -39.7409 -39.7409 -18.7554 -18.7554 -18.7387 -18.7387 -18.3042 -18.3042 -18.2406 -18.2406 -18.2086 -18.2086 -18.1549 -18.1549 1.6084 1.6084 2.0283 2.0283 4.1745 4.1745 5.0171 5.0171 6.6862 6.6862 7.7463 7.7463 8.5234 8.5234 8.6225 8.6225 9.5520 9.5520 10.2134 10.2134 10.4186 10.4186 10.6138 10.6138 11.0827 11.0827 k = 0.4167 0.1443 0.6124 ( 4285 PWs) bands (ev): -39.7468 -39.7468 -39.7407 -39.7407 -18.7557 -18.7557 -18.7384 -18.7384 -18.3040 -18.3040 -18.2414 -18.2414 -18.2079 -18.2079 -18.1550 -18.1550 1.5949 1.5949 2.0364 2.0364 4.1599 4.1599 5.1046 5.1046 6.5643 6.5643 7.7369 7.7369 8.5753 8.5753 8.6883 8.6883 9.5128 9.5128 10.2185 10.2185 10.4125 10.4125 10.6266 10.6266 11.0441 11.0441 k = 0.4083 0.1588 0.6124 ( 4281 PWs) bands (ev): -39.7470 -39.7470 -39.7406 -39.7406 -18.7559 -18.7559 -18.7381 -18.7381 -18.3039 -18.3039 -18.2421 -18.2421 -18.2072 -18.2072 -18.1552 -18.1552 1.5839 1.5839 2.0427 2.0427 4.1479 4.1479 5.1908 5.1908 6.4500 6.4500 7.7293 7.7293 8.6202 8.6202 8.7479 8.7479 9.4759 9.4759 10.2158 10.2158 10.4134 10.4134 10.6402 10.6402 11.0083 11.0083 k = 0.4000 0.1732 0.6124 ( 4285 PWs) bands (ev): -39.7471 -39.7471 -39.7405 -39.7405 -18.7561 -18.7561 -18.7379 -18.7379 -18.3037 -18.3037 -18.2427 -18.2427 -18.2067 -18.2067 -18.1553 -18.1553 1.5753 1.5753 2.0474 2.0474 4.1386 4.1386 5.2721 5.2721 6.3471 6.3471 7.7233 7.7233 8.6568 8.6568 8.7993 8.7993 9.4425 9.4425 10.2085 10.2085 10.4185 10.4185 10.6538 10.6538 10.9769 10.9769 k = 0.3917 0.1876 0.6124 ( 4275 PWs) bands (ev): -39.7472 -39.7472 -39.7404 -39.7404 -18.7563 -18.7563 -18.7377 -18.7377 -18.3036 -18.3036 -18.2431 -18.2431 -18.2063 -18.2063 -18.1553 -18.1553 1.5692 1.5692 2.0506 2.0506 4.1319 4.1319 5.3422 5.3422 6.2616 6.2616 7.7190 7.7190 8.6840 8.6840 8.8400 8.8400 9.4151 9.4151 10.2005 10.2005 10.4245 10.4245 10.6659 10.6659 10.9516 10.9516 k = 0.3833 0.2021 0.6124 ( 4282 PWs) bands (ev): -39.7472 -39.7472 -39.7404 -39.7404 -18.7564 -18.7564 -18.7377 -18.7377 -18.3036 -18.3036 -18.2433 -18.2433 -18.2061 -18.2061 -18.1554 -18.1554 1.5655 1.5655 2.0525 2.0525 4.1279 4.1279 5.3916 5.3916 6.2029 6.2029 7.7164 7.7164 8.7007 8.7007 8.8664 8.8664 9.3966 9.3966 10.1945 10.1945 10.4290 10.4290 10.6746 10.6746 10.9349 10.9349 k = 0.3750 0.2165 0.6124 ( 4272 PWs) bands (ev): -39.7472 -39.7472 -39.7403 -39.7403 -18.7564 -18.7564 -18.7376 -18.7376 -18.3035 -18.3035 -18.2434 -18.2434 -18.2059 -18.2059 -18.1554 -18.1554 1.5643 1.5643 2.0532 2.0532 4.1265 4.1265 5.4099 5.4099 6.1816 6.1816 7.7156 7.7156 8.7064 8.7064 8.8757 8.8757 9.3901 9.3901 10.1924 10.1924 10.4307 10.4307 10.6778 10.6778 10.9290 10.9290 k = 0.3750 0.2165 0.6124 ( 4272 PWs) bands (ev): -39.7472 -39.7472 -39.7403 -39.7403 -18.7564 -18.7564 -18.7376 -18.7376 -18.3035 -18.3035 -18.2434 -18.2434 -18.2059 -18.2059 -18.1554 -18.1554 1.5643 1.5643 2.0532 2.0532 4.1265 4.1265 5.4099 5.4099 6.1816 6.1816 7.7156 7.7156 8.7064 8.7064 8.8757 8.8757 9.3901 9.3901 10.1924 10.1924 10.4307 10.4307 10.6778 10.6778 10.9290 10.9290 k = 0.3667 0.2117 0.5988 ( 4284 PWs) bands (ev): -39.7477 -39.7477 -39.7399 -39.7399 -18.7573 -18.7573 -18.7365 -18.7365 -18.3043 -18.3043 -18.2409 -18.2409 -18.2084 -18.2084 -18.1549 -18.1549 1.5284 1.5284 2.0944 2.0944 4.0870 4.0870 5.4262 5.4262 6.2238 6.2238 7.8521 7.8521 8.6290 8.6290 8.7838 8.7838 9.3629 9.3629 10.1886 10.1886 10.4424 10.4424 10.7277 10.7277 10.8680 10.8680 k = 0.3583 0.2069 0.5852 ( 4284 PWs) bands (ev): -39.7482 -39.7482 -39.7394 -39.7394 -18.7583 -18.7583 -18.7354 -18.7354 -18.3050 -18.3050 -18.2384 -18.2384 -18.2108 -18.2108 -18.1544 -18.1544 1.4886 1.4886 2.1382 2.1382 4.0557 4.0557 5.4435 5.4435 6.2677 6.2677 7.9852 7.9852 8.5529 8.5529 8.6944 8.6944 9.3358 9.3358 10.1827 10.1827 10.4552 10.4552 10.7780 10.7780 10.8021 10.8021 k = 0.3500 0.2021 0.5715 ( 4274 PWs) bands (ev): -39.7486 -39.7486 -39.7389 -39.7389 -18.7593 -18.7593 -18.7342 -18.7342 -18.3056 -18.3056 -18.2360 -18.2360 -18.2130 -18.2130 -18.1540 -18.1540 1.4449 1.4449 2.1846 2.1846 4.0326 4.0326 5.4621 5.4621 6.3132 6.3132 8.1140 8.1140 8.4780 8.4780 8.6076 8.6076 9.3088 9.3088 10.1749 10.1749 10.4692 10.4692 10.7308 10.7308 10.8306 10.8306 k = 0.3417 0.1973 0.5579 ( 4277 PWs) bands (ev): -39.7492 -39.7492 -39.7384 -39.7384 -18.7604 -18.7604 -18.7329 -18.7329 -18.3062 -18.3062 -18.2338 -18.2338 -18.2152 -18.2152 -18.1537 -18.1537 1.3974 1.3974 2.2335 2.2335 4.0176 4.0176 5.4817 5.4817 6.3597 6.3597 8.2372 8.2372 8.4047 8.4047 8.5237 8.5237 9.2818 9.2818 10.1657 10.1657 10.4846 10.4846 10.6576 10.6576 10.8831 10.8831 k = 0.3333 0.1925 0.5443 ( 4277 PWs) bands (ev): -39.7497 -39.7497 -39.7379 -39.7379 -18.7615 -18.7615 -18.7316 -18.7316 -18.3066 -18.3066 -18.2319 -18.2319 -18.2171 -18.2171 -18.1534 -18.1534 1.3466 1.3466 2.2850 2.2850 4.0106 4.0106 5.5026 5.5026 6.4072 6.4072 8.3314 8.3314 8.3548 8.3548 8.4428 8.4428 9.2549 9.2549 10.1562 10.1562 10.5015 10.5015 10.5824 10.5824 10.9364 10.9364 k = 0.3250 0.1876 0.5307 ( 4277 PWs) bands (ev): -39.7502 -39.7502 -39.7374 -39.7374 -18.7626 -18.7626 -18.7302 -18.7302 -18.3069 -18.3069 -18.2306 -18.2306 -18.2183 -18.2183 -18.1532 -18.1532 1.2925 1.2925 2.3391 2.3391 4.0113 4.0113 5.5246 5.5246 6.4551 6.4551 8.2619 8.2619 8.3643 8.3643 8.4623 8.4623 9.2279 9.2279 10.1480 10.1480 10.5062 10.5062 10.5200 10.5200 10.9905 10.9905 k = 0.3167 0.1828 0.5171 ( 4277 PWs) bands (ev): -39.7508 -39.7508 -39.7368 -39.7368 -18.7637 -18.7637 -18.7287 -18.7287 -18.3072 -18.3072 -18.2304 -18.2304 -18.2186 -18.2186 -18.1531 -18.1531 1.2357 1.2357 2.3957 2.3957 4.0193 4.0193 5.5478 5.5478 6.5031 6.5031 8.1931 8.1931 8.2901 8.2901 8.5596 8.5596 9.2008 9.2008 10.1430 10.1430 10.4297 10.4297 10.5399 10.5399 11.0452 11.0452 k = 0.3083 0.1780 0.5035 ( 4273 PWs) bands (ev): -39.7513 -39.7513 -39.7362 -39.7362 -18.7649 -18.7649 -18.7272 -18.7272 -18.3074 -18.3074 -18.2313 -18.2313 -18.2178 -18.2178 -18.1531 -18.1531 1.1765 1.1765 2.4548 2.4548 4.0345 4.0345 5.5723 5.5723 6.5505 6.5505 8.1258 8.1258 8.2194 8.2194 8.6444 8.6444 9.1736 9.1736 10.1437 10.1437 10.3536 10.3536 10.5613 10.5613 11.1005 11.1005 k = 0.3000 0.1732 0.4899 ( 4285 PWs) bands (ev): -39.7519 -39.7519 -39.7357 -39.7357 -18.7661 -18.7661 -18.7257 -18.7257 -18.3075 -18.3075 -18.2330 -18.2330 -18.2163 -18.2163 -18.1531 -18.1531 1.1152 1.1152 2.5164 2.5164 4.0563 4.0563 5.5978 5.5978 6.5969 6.5969 8.0602 8.0602 8.1528 8.1528 8.7145 8.7145 9.1461 9.1461 10.1524 10.1524 10.2784 10.2784 10.5839 10.5839 11.1563 11.1563 k = 0.2917 0.1684 0.4763 ( 4285 PWs) bands (ev): -39.7525 -39.7525 -39.7351 -39.7351 -18.7673 -18.7673 -18.7241 -18.7241 -18.3075 -18.3075 -18.2350 -18.2350 -18.2143 -18.2143 -18.1532 -18.1532 1.0522 1.0522 2.5805 2.5805 4.0844 4.0844 5.6247 5.6247 6.6416 6.6416 7.9961 7.9961 8.0906 8.0906 8.7679 8.7679 9.1182 9.1182 10.1708 10.1708 10.2053 10.2053 10.6078 10.6078 11.2127 11.2127 k = 0.2833 0.1636 0.4627 ( 4283 PWs) bands (ev): -39.7531 -39.7531 -39.7345 -39.7345 -18.7685 -18.7685 -18.7225 -18.7225 -18.3075 -18.3075 -18.2373 -18.2373 -18.2122 -18.2122 -18.1534 -18.1534 0.9881 0.9881 2.6470 2.6470 4.1185 4.1185 5.6528 5.6528 6.6838 6.6838 7.9338 7.9338 8.0332 8.0332 8.8035 8.8035 9.0898 9.0898 10.1313 10.1313 10.2037 10.2037 10.6326 10.6326 11.2694 11.2694 k = 0.2750 0.1588 0.4491 ( 4283 PWs) bands (ev): -39.7537 -39.7537 -39.7339 -39.7339 -18.7697 -18.7697 -18.7208 -18.7208 -18.3073 -18.3073 -18.2397 -18.2397 -18.2101 -18.2101 -18.1536 -18.1536 0.9230 0.9230 2.7159 2.7159 4.1582 4.1582 5.6821 5.6821 6.7226 6.7226 7.8732 7.8732 7.9811 7.9811 8.8214 8.8214 9.0609 9.0609 10.0615 10.0615 10.2469 10.2469 10.6583 10.6583 11.3265 11.3265 k = 0.2667 0.1540 0.4355 ( 4291 PWs) bands (ev): -39.7543 -39.7543 -39.7333 -39.7333 -18.7709 -18.7709 -18.7191 -18.7191 -18.3072 -18.3072 -18.2422 -18.2422 -18.2079 -18.2079 -18.1539 -18.1539 0.8575 0.8575 2.7872 2.7872 4.2032 4.2032 5.7127 5.7127 6.7572 6.7572 7.8143 7.8143 7.9348 7.9348 8.8227 8.8227 9.0314 9.0314 9.9937 9.9937 10.3020 10.3020 10.6848 10.6848 11.3837 11.3837 k = 0.2583 0.1491 0.4219 ( 4295 PWs) bands (ev): -39.7550 -39.7550 -39.7326 -39.7326 -18.7722 -18.7722 -18.7173 -18.7173 -18.3070 -18.3070 -18.2447 -18.2447 -18.2057 -18.2057 -18.1542 -18.1542 0.7917 0.7917 2.8608 2.8608 4.2531 4.2531 5.7445 5.7445 6.7868 6.7868 7.7572 7.7572 7.8947 7.8947 8.8094 8.8094 9.0011 9.0011 9.9285 9.9285 10.3671 10.3671 10.7117 10.7117 11.4410 11.4410 k = 0.2500 0.1443 0.4082 ( 4291 PWs) bands (ev): -39.7556 -39.7556 -39.7320 -39.7320 -18.7733 -18.7733 -18.7156 -18.7156 -18.3067 -18.3067 -18.2471 -18.2471 -18.2035 -18.2035 -18.1546 -18.1546 0.7261 0.7261 2.9368 2.9368 4.3076 4.3076 5.7776 5.7776 6.8105 6.8105 7.7018 7.7018 7.8611 7.8611 8.7837 8.7837 8.9700 8.9700 9.8659 9.8659 10.4403 10.4403 10.7390 10.7390 11.4982 11.4982 k = 0.2417 0.1395 0.3946 ( 4293 PWs) bands (ev): -39.7562 -39.7562 -39.7314 -39.7314 -18.7746 -18.7746 -18.7137 -18.7137 -18.3063 -18.3063 -18.2496 -18.2496 -18.2013 -18.2013 -18.1550 -18.1550 0.6608 0.6608 3.0150 3.0150 4.3665 4.3665 5.8119 5.8119 6.8277 6.8277 7.6482 7.6482 7.8341 7.8341 8.7482 8.7482 8.9379 8.9379 9.8060 9.8060 10.5193 10.5193 10.7664 10.7664 11.5551 11.5551 k = 0.2333 0.1347 0.3810 ( 4305 PWs) bands (ev): -39.7568 -39.7568 -39.7308 -39.7308 -18.7758 -18.7758 -18.7119 -18.7119 -18.3059 -18.3059 -18.2521 -18.2521 -18.1993 -18.1993 -18.1555 -18.1555 0.5962 0.5962 3.0955 3.0955 4.4294 4.4294 5.8474 5.8474 6.8381 6.8381 7.5963 7.5963 7.8135 7.8135 8.7050 8.7050 8.9048 8.9048 9.7485 9.7485 10.6021 10.6021 10.7937 10.7937 11.6114 11.6114 k = 0.2250 0.1299 0.3674 ( 4301 PWs) bands (ev): -39.7574 -39.7574 -39.7302 -39.7302 -18.7769 -18.7769 -18.7101 -18.7101 -18.3055 -18.3055 -18.2545 -18.2545 -18.1972 -18.1972 -18.1560 -18.1560 0.5324 0.5324 3.1782 3.1782 4.4963 4.4963 5.8843 5.8843 6.8417 6.8417 7.5463 7.5463 7.7987 7.7987 8.6559 8.6559 8.8705 8.8705 9.6933 9.6933 10.6869 10.6869 10.8209 10.8209 11.6668 11.6669 k = 0.2167 0.1251 0.3538 ( 4293 PWs) bands (ev): -39.7580 -39.7580 -39.7296 -39.7296 -18.7781 -18.7781 -18.7082 -18.7082 -18.3050 -18.3050 -18.2569 -18.2569 -18.1952 -18.1952 -18.1565 -18.1565 0.4697 0.4697 3.2629 3.2629 4.5667 4.5667 5.9223 5.9223 6.8389 6.8389 7.4980 7.4980 7.7889 7.7889 8.6024 8.6024 8.8351 8.8351 9.6397 9.6397 10.7711 10.7711 10.8488 10.8488 11.6187 11.6187 k = 0.2083 0.1203 0.3402 ( 4285 PWs) bands (ev): -39.7586 -39.7586 -39.7290 -39.7290 -18.7792 -18.7792 -18.7063 -18.7063 -18.3045 -18.3045 -18.2593 -18.2593 -18.1932 -18.1932 -18.1570 -18.1570 0.4083 0.4083 3.3498 3.3498 4.6406 4.6406 5.9616 5.9616 6.8305 6.8305 7.4516 7.4516 7.7830 7.7830 8.5458 8.5458 8.7984 8.7984 9.5869 9.5869 10.8445 10.8445 10.8859 10.8859 11.5230 11.5230 k = 0.2000 0.1155 0.3266 ( 4281 PWs) bands (ev): -39.7592 -39.7592 -39.7284 -39.7284 -18.7803 -18.7803 -18.7044 -18.7044 -18.3040 -18.3040 -18.2617 -18.2617 -18.1913 -18.1913 -18.1576 -18.1576 0.3483 0.3483 3.4387 3.4387 4.7176 4.7176 6.0022 6.0022 6.8173 6.8173 7.4069 7.4069 7.7796 7.7796 8.4870 8.4870 8.7604 8.7604 9.5338 9.5338 10.8819 10.8819 10.9557 10.9557 11.4337 11.4337 k = 0.1917 0.1107 0.3130 ( 4297 PWs) bands (ev): -39.7598 -39.7598 -39.7278 -39.7278 -18.7814 -18.7814 -18.7026 -18.7026 -18.3034 -18.3034 -18.2640 -18.2640 -18.1895 -18.1895 -18.1582 -18.1582 0.2899 0.2899 3.5294 3.5294 4.7976 4.7976 6.0439 6.0439 6.8004 6.8004 7.3641 7.3641 7.7775 7.7775 8.4267 8.4267 8.7209 8.7209 9.4790 9.4790 10.9035 10.9035 11.0363 11.0363 11.3528 11.3528 k = 0.1833 0.1058 0.2994 ( 4297 PWs) bands (ev): -39.7604 -39.7604 -39.7272 -39.7272 -18.7825 -18.7825 -18.7008 -18.7008 -18.3029 -18.3029 -18.2662 -18.2662 -18.1878 -18.1878 -18.1589 -18.1589 0.2332 0.2332 3.6220 3.6220 4.8804 4.8804 6.0868 6.0868 6.7808 6.7808 7.3231 7.3231 7.7756 7.7756 8.3656 8.3656 8.6800 8.6800 9.4210 9.4210 10.9193 10.9193 11.1159 11.1159 11.2822 11.2822 k = 0.1750 0.1010 0.2858 ( 4297 PWs) bands (ev): -39.7609 -39.7609 -39.7267 -39.7267 -18.7835 -18.7835 -18.6990 -18.6990 -18.3022 -18.3022 -18.2684 -18.2684 -18.1861 -18.1861 -18.1595 -18.1595 0.1784 0.1784 3.7163 3.7163 4.9659 4.9659 6.1308 6.1308 6.7593 6.7593 7.2839 7.2839 7.7731 7.7731 8.3041 8.3041 8.6377 8.6377 9.3583 9.3583 10.9294 10.9294 11.1917 11.1917 11.2241 11.2241 k = 0.1667 0.0962 0.2722 ( 4293 PWs) bands (ev): -39.7615 -39.7615 -39.7261 -39.7261 -18.7845 -18.7845 -18.6971 -18.6971 -18.3016 -18.3016 -18.2705 -18.2705 -18.1845 -18.1845 -18.1601 -18.1601 0.1255 0.1255 3.8121 3.8121 5.0537 5.0537 6.1760 6.1760 6.7368 6.7368 7.2465 7.2465 7.7693 7.7693 8.2426 8.2426 8.5939 8.5939 9.2896 9.2896 10.9325 10.9325 11.1780 11.1780 11.2642 11.2642 k = 0.1583 0.0914 0.2586 ( 4305 PWs) bands (ev): -39.7620 -39.7620 -39.7256 -39.7256 -18.7855 -18.7855 -18.6954 -18.6954 -18.3011 -18.3011 -18.2726 -18.2726 -18.1829 -18.1829 -18.1608 -18.1608 0.0746 0.0746 3.9094 3.9094 5.1438 5.1438 6.2222 6.2222 6.7139 6.7139 7.2109 7.2109 7.7637 7.7637 8.1813 8.1813 8.5487 8.5487 9.2136 9.2136 10.9271 10.9271 11.1473 11.1473 11.3298 11.3298 k = 0.1500 0.0866 0.2449 ( 4301 PWs) bands (ev): -39.7625 -39.7625 -39.7251 -39.7251 -18.7864 -18.7864 -18.6937 -18.6937 -18.3004 -18.3004 -18.2746 -18.2746 -18.1815 -18.1815 -18.1614 -18.1614 0.0259 0.0259 4.0080 4.0080 5.2360 5.2360 6.2695 6.2695 6.6914 6.6914 7.1772 7.1772 7.7562 7.7562 8.1204 8.1204 8.5021 8.5021 9.1299 9.1299 10.9114 10.9114 11.1311 11.1311 11.3886 11.3886 k = 0.1417 0.0818 0.2313 ( 4311 PWs) bands (ev): -39.7630 -39.7630 -39.7246 -39.7246 -18.7873 -18.7873 -18.6920 -18.6920 -18.2999 -18.2999 -18.2766 -18.2766 -18.1801 -18.1801 -18.1620 -18.1620 -0.0206 -0.0206 4.1077 4.1077 5.3300 5.3300 6.3177 6.3177 6.6697 6.6697 7.1453 7.1453 7.7467 7.7467 8.0601 8.0601 8.4541 8.4541 9.0384 9.0384 10.8838 10.8838 11.1292 11.1292 11.4394 11.4394 k = 0.1333 0.0770 0.2177 ( 4313 PWs) bands (ev): -39.7635 -39.7635 -39.7242 -39.7242 -18.7882 -18.7882 -18.6903 -18.6903 -18.2993 -18.2993 -18.2784 -18.2784 -18.1788 -18.1788 -18.1626 -18.1626 -0.0647 -0.0647 4.2081 4.2081 5.4256 5.4256 6.3669 6.3669 6.6493 6.6493 7.1152 7.1152 7.7354 7.7354 8.0003 8.0003 8.4049 8.4049 8.9396 8.9396 10.8436 10.8436 11.1405 11.1405 11.4818 11.4818 k = 0.1250 0.0722 0.2041 ( 4295 PWs) bands (ev): -39.7639 -39.7639 -39.7237 -39.7237 -18.7889 -18.7889 -18.6887 -18.6887 -18.2987 -18.2987 -18.2801 -18.2801 -18.1775 -18.1775 -18.1632 -18.1632 -0.1065 -0.1065 4.3091 4.3091 5.5227 5.5227 6.4169 6.4169 6.6307 6.6307 7.0870 7.0870 7.7224 7.7224 7.9412 7.9412 8.3546 8.3546 8.8345 8.8345 10.7908 10.7908 11.1636 11.1636 11.5163 11.5163 k = 0.1167 0.0674 0.1905 ( 4303 PWs) bands (ev): -39.7643 -39.7643 -39.7233 -39.7233 -18.7897 -18.7897 -18.6872 -18.6872 -18.2981 -18.2981 -18.2818 -18.2818 -18.1763 -18.1763 -18.1638 -18.1638 -0.1459 -0.1459 4.4103 4.4103 5.6209 5.6209 6.4675 6.4675 6.6143 6.6143 7.0605 7.0605 7.7077 7.7077 7.8825 7.8825 8.3031 8.3031 8.7240 8.7240 10.7269 10.7269 11.1967 11.1967 11.5443 11.5443 k = 0.1083 0.0625 0.1769 ( 4299 PWs) bands (ev): -39.7647 -39.7647 -39.7229 -39.7229 -18.7904 -18.7904 -18.6858 -18.6858 -18.2976 -18.2976 -18.2834 -18.2834 -18.1752 -18.1752 -18.1644 -18.1644 -0.1827 -0.1827 4.5113 4.5113 5.7201 5.7201 6.5188 6.5188 6.6006 6.6006 7.0359 7.0359 7.6914 7.6914 7.8242 7.8242 8.2508 8.2508 8.6096 8.6096 10.6542 10.6542 11.2378 11.2378 11.5674 11.5674 k = 0.1000 0.0577 0.1633 ( 4301 PWs) bands (ev): -39.7651 -39.7651 -39.7225 -39.7225 -18.7911 -18.7911 -18.6844 -18.6844 -18.2971 -18.2971 -18.2849 -18.2849 -18.1742 -18.1742 -18.1649 -18.1649 -0.2170 -0.2170 4.6114 4.6114 5.8200 5.8200 6.5705 6.5705 6.5900 6.5900 7.0132 7.0132 7.6736 7.6736 7.7662 7.7662 8.1979 8.1979 8.4927 8.4927 10.5753 10.5753 11.2849 11.2849 11.5873 11.5873 k = 0.0917 0.0529 0.1497 ( 4297 PWs) bands (ev): -39.7655 -39.7655 -39.7222 -39.7222 -18.7917 -18.7917 -18.6831 -18.6831 -18.2966 -18.2966 -18.2862 -18.2862 -18.1732 -18.1732 -18.1654 -18.1654 -0.2488 -0.2488 4.7102 4.7102 5.9203 5.9203 6.5830 6.5830 6.6226 6.6226 6.9922 6.9922 7.6539 7.6539 7.7082 7.7082 8.1445 8.1445 8.3749 8.3749 10.4929 10.4929 11.3360 11.3360 11.6051 11.6051 k = 0.0833 0.0481 0.1361 ( 4313 PWs) bands (ev): -39.7658 -39.7658 -39.7218 -39.7218 -18.7923 -18.7923 -18.6820 -18.6820 -18.2961 -18.2961 -18.2875 -18.2875 -18.1724 -18.1724 -18.1659 -18.1659 -0.2778 -0.2778 4.8068 4.8068 6.0206 6.0206 6.5803 6.5803 6.6746 6.6746 6.9730 6.9730 7.6317 7.6317 7.6501 7.6501 8.0909 8.0909 8.2580 8.2580 10.4094 10.4094 11.3889 11.3889 11.6213 11.6213 k = 0.0750 0.0433 0.1225 ( 4313 PWs) bands (ev): -39.7661 -39.7661 -39.7215 -39.7215 -18.7928 -18.7928 -18.6809 -18.6809 -18.2957 -18.2957 -18.2887 -18.2887 -18.1716 -18.1716 -18.1663 -18.1663 -0.3043 -0.3043 4.9003 4.9003 6.1207 6.1207 6.5825 6.5825 6.7263 6.7263 6.9558 6.9558 7.5907 7.5907 7.6066 7.6066 8.0375 8.0375 8.1446 8.1446 10.3272 10.3272 11.4417 11.4417 11.6363 11.6363 k = 0.0667 0.0385 0.1089 ( 4307 PWs) bands (ev): -39.7664 -39.7664 -39.7213 -39.7213 -18.7933 -18.7933 -18.6799 -18.6799 -18.2953 -18.2953 -18.2897 -18.2897 -18.1709 -18.1709 -18.1667 -18.1667 -0.3280 -0.3280 4.9896 4.9896 6.2202 6.2202 6.5904 6.5904 6.7775 6.7775 6.9403 6.9403 7.5313 7.5313 7.5751 7.5751 7.9848 7.9848 8.0381 8.0381 10.2483 10.2483 11.4926 11.4926 11.6501 11.6501 k = 0.0583 0.0337 0.0953 ( 4299 PWs) bands (ev): -39.7666 -39.7666 -39.7210 -39.7210 -18.7936 -18.7936 -18.6790 -18.6790 -18.2949 -18.2949 -18.2907 -18.2907 -18.1703 -18.1703 -18.1671 -18.1671 -0.3490 -0.3490 5.0734 5.0734 6.3187 6.3187 6.6049 6.6049 6.8275 6.8275 6.9266 6.9266 7.4705 7.4705 7.5346 7.5346 7.9330 7.9330 7.9431 7.9431 10.1743 10.1743 11.5399 11.5399 11.6627 11.6627 k = 0.0500 0.0289 0.0816 ( 4303 PWs) bands (ev): -39.7668 -39.7668 -39.7208 -39.7208 -18.7940 -18.7940 -18.6782 -18.6782 -18.2946 -18.2946 -18.2915 -18.2915 -18.1698 -18.1698 -18.1674 -18.1674 -0.3673 -0.3673 5.1503 5.1503 6.4157 6.4157 6.6267 6.6267 6.8756 6.8756 6.9148 6.9148 7.4081 7.4081 7.4814 7.4814 7.8633 7.8633 7.8842 7.8842 10.1069 10.1069 11.5823 11.5823 11.6738 11.6738 k = 0.0417 0.0241 0.0680 ( 4289 PWs) bands (ev): -39.7670 -39.7670 -39.7207 -39.7207 -18.7943 -18.7943 -18.6775 -18.6775 -18.2943 -18.2943 -18.2921 -18.2921 -18.1693 -18.1693 -18.1676 -18.1676 -0.3827 -0.3827 5.2188 5.2188 6.5107 6.5107 6.6568 6.6568 6.9048 6.9048 6.9209 6.9209 7.3441 7.3441 7.4135 7.4135 7.8037 7.8037 7.8376 7.8376 10.0474 10.0474 11.6185 11.6185 11.6836 11.6836 k = 0.0333 0.0192 0.0544 ( 4281 PWs) bands (ev): -39.7671 -39.7671 -39.7205 -39.7205 -18.7945 -18.7945 -18.6770 -18.6770 -18.2941 -18.2941 -18.2927 -18.2927 -18.1689 -18.1689 -18.1679 -18.1679 -0.3954 -0.3954 5.2772 5.2772 6.6031 6.6031 6.6955 6.6955 6.8966 6.8966 6.9621 6.9621 7.2782 7.2782 7.3334 7.3334 7.7623 7.7623 7.7953 7.7953 9.9970 9.9970 11.6476 11.6476 11.6921 11.6922 k = 0.0250 0.0144 0.0408 ( 4281 PWs) bands (ev): -39.7672 -39.7672 -39.7204 -39.7204 -18.7947 -18.7947 -18.6765 -18.6765 -18.2939 -18.2939 -18.2931 -18.2931 -18.1686 -18.1686 -18.1680 -18.1680 -0.4053 -0.4053 5.3242 5.3242 6.6918 6.6918 6.7428 6.7428 6.8903 6.8903 6.9976 6.9976 7.2107 7.2107 7.2471 7.2471 7.7350 7.7350 7.7588 7.7588 9.9567 9.9567 11.6686 11.6686 11.6997 11.6998 k = 0.0167 0.0096 0.0272 ( 4281 PWs) bands (ev): -39.7673 -39.7673 -39.7203 -39.7203 -18.7948 -18.7948 -18.6762 -18.6762 -18.2938 -18.2938 -18.2934 -18.2934 -18.1684 -18.1684 -18.1682 -18.1682 -0.4124 -0.4124 5.3587 5.3587 6.7747 6.7747 6.7973 6.7973 6.8859 6.8859 7.0253 7.0253 7.1432 7.1432 7.1613 7.1613 7.7180 7.7180 7.7304 7.7304 9.9273 9.9273 11.6808 11.6809 11.7071 11.7072 k = 0.0083 0.0048 0.0136 ( 4281 PWs) bands (ev): -39.7674 -39.7674 -39.7203 -39.7203 -18.7949 -18.7949 -18.6760 -18.6760 -18.2937 -18.2937 -18.2936 -18.2936 -18.1683 -18.1683 -18.1682 -18.1682 -0.4166 -0.4166 5.3797 5.3797 6.8441 6.8441 6.8539 6.8539 6.8838 6.8838 7.0432 7.0432 7.0812 7.0812 7.0863 7.0863 7.7087 7.7087 7.7121 7.7121 9.9094 9.9094 11.6861 11.6862 11.7131 11.7141 k = 0.0000 0.0000 0.0000 ( 4279 PWs) bands (ev): -39.7674 -39.7674 -39.7203 -39.7203 -18.7949 -18.7949 -18.6760 -18.6760 -18.2937 -18.2937 -18.2937 -18.2937 -18.1683 -18.1683 -18.1683 -18.1683 -0.4180 -0.4180 5.3867 5.3867 6.8730 6.8730 6.8864 6.8864 6.8864 6.8864 7.0469 7.0469 7.0506 7.0506 7.0506 7.0506 7.7058 7.7058 7.7058 7.7058 9.9034 9.9034 11.6874 11.6875 11.7153 11.7153 k = 0.0000 0.0000 0.0000 ( 4279 PWs) bands (ev): -39.7674 -39.7674 -39.7203 -39.7203 -18.7949 -18.7949 -18.6760 -18.6760 -18.2937 -18.2937 -18.2937 -18.2937 -18.1683 -18.1683 -18.1683 -18.1683 -0.4180 -0.4180 5.3867 5.3867 6.8730 6.8730 6.8864 6.8864 6.8864 6.8864 7.0469 7.0469 7.0506 7.0506 7.0506 7.0506 7.7058 7.7058 7.7058 7.7058 9.9034 9.9034 11.6874 11.6876 11.7153 11.7153 k = 0.0135 0.0078 0.0055 ( 4282 PWs) bands (ev): -39.7674 -39.7674 -39.7203 -39.7203 -18.7949 -18.7949 -18.6760 -18.6760 -18.2937 -18.2937 -18.2936 -18.2936 -18.1683 -18.1683 -18.1682 -18.1682 -0.4166 -0.4166 5.3798 5.3798 6.8390 6.8390 6.8677 6.8677 6.8754 6.8754 7.0561 7.0561 7.0586 7.0586 7.0956 7.0956 7.7103 7.7103 7.7104 7.7104 9.9093 9.9093 11.6861 11.6863 11.7130 11.7133 k = 0.0270 0.0156 0.0110 ( 4282 PWs) bands (ev): -39.7673 -39.7673 -39.7203 -39.7203 -18.7948 -18.7948 -18.6762 -18.6762 -18.2938 -18.2938 -18.2934 -18.2934 -18.1685 -18.1685 -18.1682 -18.1682 -0.4125 -0.4125 5.3590 5.3590 6.7641 6.7641 6.8391 6.8391 6.8473 6.8473 7.0754 7.0754 7.0779 7.0779 7.1841 7.1841 7.7238 7.7238 7.7242 7.7242 9.9270 9.9270 11.6802 11.6803 11.7078 11.7085 k = 0.0405 0.0234 0.0166 ( 4282 PWs) bands (ev): -39.7672 -39.7672 -39.7204 -39.7204 -18.7947 -18.7947 -18.6765 -18.6765 -18.2940 -18.2940 -18.2931 -18.2931 -18.1687 -18.1687 -18.1680 -18.1680 -0.4055 -0.4055 5.3248 5.3248 6.6854 6.6854 6.8016 6.8016 6.8097 6.8097 7.0989 7.0989 7.1013 7.1013 7.2843 7.2843 7.7457 7.7457 7.7467 7.7467 9.9560 9.9560 11.6655 11.6655 11.7039 11.7040 k = 0.0541 0.0312 0.0221 ( 4282 PWs) bands (ev): -39.7671 -39.7671 -39.7205 -39.7205 -18.7945 -18.7945 -18.6769 -18.6769 -18.2942 -18.2942 -18.2926 -18.2926 -18.1690 -18.1690 -18.1678 -18.1678 -0.3957 -0.3957 5.2779 5.2779 6.6094 6.6094 6.7590 6.7590 6.7669 6.7669 7.1230 7.1230 7.1250 7.1250 7.3897 7.3897 7.7756 7.7756 7.7772 7.7772 9.9958 9.9958 11.6405 11.6405 11.7028 11.7071 k = 0.0676 0.0390 0.0276 ( 4294 PWs) bands (ev): -39.7670 -39.7670 -39.7207 -39.7207 -18.7943 -18.7943 -18.6775 -18.6775 -18.2945 -18.2945 -18.2920 -18.2920 -18.1695 -18.1695 -18.1675 -18.1675 -0.3832 -0.3832 5.2190 5.2190 6.5377 6.5377 6.7134 6.7134 6.7213 6.7213 7.1459 7.1459 7.1475 7.1475 7.4985 7.4985 7.8125 7.8125 7.8148 7.8148 10.0458 10.0458 11.6063 11.6063 11.7034 11.7037 k = 0.0811 0.0468 0.0331 ( 4306 PWs) bands (ev): -39.7668 -39.7668 -39.7208 -39.7208 -18.7940 -18.7940 -18.6782 -18.6782 -18.2948 -18.2948 -18.2913 -18.2913 -18.1700 -18.1700 -18.1672 -18.1672 -0.3680 -0.3680 5.1493 5.1493 6.4707 6.4707 6.6663 6.6663 6.6741 6.6741 7.1673 7.1673 7.1685 7.1685 7.6097 7.6097 7.8556 7.8556 7.8586 7.8586 10.1048 10.1048 11.5639 11.5639 11.7050 11.7052 k = 0.0946 0.0546 0.0386 ( 4312 PWs) bands (ev): -39.7666 -39.7666 -39.7210 -39.7210 -18.7937 -18.7937 -18.6790 -18.6790 -18.2952 -18.2952 -18.2904 -18.2904 -18.1705 -18.1705 -18.1669 -18.1669 -0.3500 -0.3500 5.0700 5.0700 6.4083 6.4083 6.6184 6.6184 6.6261 6.6261 7.1872 7.1872 7.1881 7.1881 7.7227 7.7227 7.9039 7.9039 7.9076 7.9076 10.1717 10.1717 11.5144 11.5144 11.7073 11.7120 k = 0.1081 0.0624 0.0441 ( 4303 PWs) bands (ev): -39.7664 -39.7664 -39.7213 -39.7213 -18.7933 -18.7933 -18.6798 -18.6798 -18.2956 -18.2956 -18.2894 -18.2894 -18.1712 -18.1712 -18.1665 -18.1665 -0.3293 -0.3293 4.9824 4.9824 6.3505 6.3505 6.5703 6.5703 6.5778 6.5778 7.2058 7.2058 7.2065 7.2065 7.8371 7.8371 7.9567 7.9567 7.9610 7.9610 10.2453 10.2453 11.4589 11.4589 11.7104 11.7106 k = 0.1216 0.0702 0.0497 ( 4309 PWs) bands (ev): -39.7661 -39.7661 -39.7215 -39.7215 -18.7928 -18.7928 -18.6808 -18.6808 -18.2961 -18.2961 -18.2883 -18.2883 -18.1719 -18.1719 -18.1660 -18.1660 -0.3059 -0.3059 4.8877 4.8877 6.2966 6.2966 6.5224 6.5224 6.5297 6.5297 7.2235 7.2235 7.2240 7.2240 7.9523 7.9523 8.0130 8.0130 8.0178 8.0178 10.3239 10.3239 11.3990 11.3990 11.7142 11.7144 k = 0.1351 0.0780 0.0552 ( 4300 PWs) bands (ev): -39.7658 -39.7658 -39.7218 -39.7218 -18.7923 -18.7923 -18.6818 -18.6818 -18.2966 -18.2966 -18.2870 -18.2870 -18.1728 -18.1728 -18.1655 -18.1655 -0.2798 -0.2798 4.7872 4.7872 6.2465 6.2465 6.4749 6.4749 6.4822 6.4822 7.2405 7.2405 7.2409 7.2409 8.0667 8.0667 8.0735 8.0735 8.0774 8.0774 10.4054 10.4054 11.3370 11.3370 11.7185 11.7202 k = 0.1486 0.0858 0.0607 ( 4309 PWs) bands (ev): -39.7655 -39.7655 -39.7221 -39.7221 -18.7918 -18.7918 -18.6830 -18.6830 -18.2972 -18.2972 -18.2857 -18.2857 -18.1737 -18.1737 -18.1650 -18.1650 -0.2512 -0.2512 4.6819 4.6819 6.1996 6.1996 6.4282 6.4282 6.4354 6.4354 7.2569 7.2569 7.2573 7.2573 8.1329 8.1329 8.1390 8.1390 8.1844 8.1844 10.4871 10.4871 11.2757 11.2757 11.7234 11.7240 k = 0.1622 0.0936 0.0662 ( 4309 PWs) bands (ev): -39.7652 -39.7652 -39.7225 -39.7225 -18.7912 -18.7912 -18.6843 -18.6843 -18.2977 -18.2977 -18.2842 -18.2842 -18.1747 -18.1747 -18.1645 -18.1645 -0.2199 -0.2199 4.5729 4.5729 6.1559 6.1559 6.3825 6.3825 6.3895 6.3895 7.2731 7.2731 7.2735 7.2735 8.1957 8.1957 8.2022 8.2022 8.3001 8.3001 10.5649 10.5649 11.2198 11.2198 11.7286 11.7288 k = 0.1757 0.1014 0.0717 ( 4303 PWs) bands (ev): -39.7648 -39.7648 -39.7228 -39.7228 -18.7905 -18.7905 -18.6856 -18.6856 -18.2983 -18.2983 -18.2827 -18.2827 -18.1758 -18.1758 -18.1639 -18.1639 -0.1861 -0.1861 4.4610 4.4610 6.1149 6.1149 6.3378 6.3378 6.3447 6.3447 7.2890 7.2890 7.2896 7.2896 8.2596 8.2596 8.2664 8.2664 8.4151 8.4151 10.6322 10.6322 11.1760 11.1760 11.7337 11.7463 k = 0.1892 0.1092 0.0772 ( 4297 PWs) bands (ev): -39.7644 -39.7644 -39.7232 -39.7232 -18.7898 -18.7898 -18.6870 -18.6870 -18.2989 -18.2989 -18.2810 -18.2810 -18.1769 -18.1769 -18.1633 -18.1633 -0.1498 -0.1498 4.3469 4.3469 6.0766 6.0766 6.2944 6.2944 6.3012 6.3012 7.3049 7.3049 7.3057 7.3057 8.3242 8.3242 8.3313 8.3313 8.5286 8.5286 10.6795 10.6795 11.1545 11.1545 11.7386 11.7452 k = 0.2027 0.1170 0.0828 ( 4291 PWs) bands (ev): -39.7640 -39.7640 -39.7236 -39.7236 -18.7891 -18.7891 -18.6884 -18.6884 -18.2995 -18.2995 -18.2792 -18.2792 -18.1781 -18.1781 -18.1626 -18.1626 -0.1111 -0.1111 4.2314 4.2314 6.0407 6.0407 6.2523 6.2523 6.2591 6.2591 7.3207 7.3207 7.3217 7.3217 8.3891 8.3891 8.3965 8.3965 8.6399 8.6399 10.6976 10.6976 11.1648 11.1648 11.7433 11.7448 k = 0.2162 0.1248 0.0883 ( 4306 PWs) bands (ev): -39.7636 -39.7636 -39.7240 -39.7240 -18.7884 -18.7884 -18.6900 -18.6900 -18.3002 -18.3002 -18.2774 -18.2774 -18.1795 -18.1795 -18.1620 -18.1620 -0.0700 -0.0700 4.1149 4.1149 6.0072 6.0072 6.2117 6.2117 6.2184 6.2184 7.3364 7.3364 7.3378 7.3378 8.4539 8.4539 8.4615 8.4615 8.7479 8.7479 10.6876 10.6876 11.2065 11.2065 11.7434 11.7589 k = 0.2297 0.1326 0.0938 ( 4306 PWs) bands (ev): -39.7631 -39.7631 -39.7245 -39.7245 -18.7875 -18.7875 -18.6915 -18.6915 -18.3008 -18.3008 -18.2755 -18.2755 -18.1808 -18.1808 -18.1615 -18.1615 -0.0266 -0.0266 3.9979 3.9979 5.9760 5.9760 6.1727 6.1727 6.1792 6.1792 7.3522 7.3522 7.3538 7.3538 8.5183 8.5183 8.5261 8.5261 8.8513 8.8513 10.6607 10.6607 11.2694 11.2694 11.7407 11.7424 k = 0.2432 0.1404 0.0993 ( 4308 PWs) bands (ev): -39.7627 -39.7627 -39.7250 -39.7250 -18.7867 -18.7867 -18.6932 -18.6932 -18.3015 -18.3015 -18.2736 -18.2736 -18.1823 -18.1823 -18.1608 -18.1608 0.0190 0.0190 3.8810 3.8810 5.9470 5.9470 6.1352 6.1352 6.1416 6.1416 7.3678 7.3678 7.3698 7.3698 8.5821 8.5821 8.5901 8.5901 8.9483 8.9483 10.6286 10.6286 11.3432 11.3432 11.7324 11.7345 k = 0.2568 0.1482 0.1048 ( 4296 PWs) bands (ev): -39.7622 -39.7622 -39.7254 -39.7254 -18.7858 -18.7858 -18.6947 -18.6947 -18.3021 -18.3021 -18.2715 -18.2715 -18.1837 -18.1837 -18.1602 -18.1602 0.0667 0.0667 3.7646 3.7646 5.9201 5.9201 6.0994 6.0994 6.1057 6.1057 7.3834 7.3834 7.3858 7.3858 8.6450 8.6450 8.6531 8.6531 9.0370 9.0370 10.5997 10.5997 11.4211 11.4211 11.7167 11.7174 k = 0.2703 0.1560 0.1103 ( 4284 PWs) bands (ev): -39.7617 -39.7617 -39.7259 -39.7259 -18.7849 -18.7849 -18.6964 -18.6964 -18.3027 -18.3027 -18.2694 -18.2694 -18.1853 -18.1853 -18.1596 -18.1596 0.1164 0.1164 3.6489 3.6489 5.8952 5.8952 6.0652 6.0652 6.0716 6.0716 7.3988 7.3988 7.4016 7.4016 8.7067 8.7067 8.7148 8.7148 9.1150 9.1150 10.5797 10.5797 11.4994 11.4994 11.6936 11.6954 k = 0.2838 0.1638 0.1159 ( 4281 PWs) bands (ev): -39.7612 -39.7612 -39.7264 -39.7264 -18.7839 -18.7839 -18.6981 -18.6981 -18.3033 -18.3033 -18.2672 -18.2672 -18.1869 -18.1869 -18.1589 -18.1589 0.1679 0.1679 3.5343 3.5343 5.8723 5.8723 6.0329 6.0329 6.0391 6.0391 7.4139 7.4139 7.4171 7.4171 8.7669 8.7669 8.7751 8.7751 9.1801 9.1801 10.5727 10.5727 11.5757 11.5758 11.6635 11.6637 k = 0.2973 0.1716 0.1214 ( 4284 PWs) bands (ev): -39.7607 -39.7607 -39.7269 -39.7269 -18.7830 -18.7830 -18.6997 -18.6997 -18.3039 -18.3039 -18.2651 -18.2651 -18.1886 -18.1886 -18.1584 -18.1584 0.2212 0.2212 3.4212 3.4212 5.8513 5.8513 6.0023 6.0023 6.0085 6.0085 7.4287 7.4287 7.4324 7.4324 8.8254 8.8254 8.8336 8.8336 9.2303 9.2303 10.5817 10.5817 11.6282 11.6282 11.6445 11.6446 k = 0.3108 0.1794 0.1269 ( 4278 PWs) bands (ev): -39.7602 -39.7602 -39.7274 -39.7274 -18.7821 -18.7821 -18.7014 -18.7014 -18.3045 -18.3045 -18.2629 -18.2629 -18.1902 -18.1902 -18.1578 -18.1578 0.2760 0.2760 3.3100 3.3100 5.8322 5.8322 5.9736 5.9736 5.9797 5.9797 7.4431 7.4431 7.4473 7.4473 8.8820 8.8820 8.8901 8.8901 9.2649 9.2649 10.6080 10.6080 11.5891 11.5891 11.6049 11.6049 k = 0.3243 0.1872 0.1324 ( 4272 PWs) bands (ev): -39.7597 -39.7597 -39.7279 -39.7279 -18.7811 -18.7811 -18.7030 -18.7030 -18.3051 -18.3051 -18.2606 -18.2606 -18.1920 -18.1920 -18.1572 -18.1572 0.3320 0.3320 3.2009 3.2009 5.8149 5.8149 5.9468 5.9468 5.9528 5.9528 7.4570 7.4570 7.4616 7.4616 8.9364 8.9364 8.9444 8.9444 9.2843 9.2843 10.6511 10.6511 11.5478 11.5478 11.5631 11.5631 k = 0.3378 0.1951 0.1379 ( 4275 PWs) bands (ev): -39.7592 -39.7592 -39.7284 -39.7284 -18.7802 -18.7802 -18.7046 -18.7046 -18.3056 -18.3056 -18.2584 -18.2584 -18.1937 -18.1937 -18.1567 -18.1567 0.3892 0.3892 3.0943 3.0943 5.7992 5.7992 5.9218 5.9218 5.9278 5.9278 7.4703 7.4703 7.4754 7.4754 8.9884 8.9884 8.9962 8.9962 9.2906 9.2906 10.7093 10.7093 11.5055 11.5055 11.5204 11.5204 k = 0.3514 0.2029 0.1434 ( 4281 PWs) bands (ev): -39.7587 -39.7587 -39.7289 -39.7289 -18.7792 -18.7792 -18.7061 -18.7061 -18.3061 -18.3061 -18.2562 -18.2562 -18.1955 -18.1955 -18.1562 -18.1562 0.4469 0.4469 2.9907 2.9907 5.7853 5.7853 5.8988 5.8988 5.9047 5.9047 7.4830 7.4830 7.4885 7.4885 9.0376 9.0376 9.0453 9.0453 9.2862 9.2862 10.7794 10.7794 11.4633 11.4633 11.4779 11.4779 k = 0.3649 0.2107 0.1490 ( 4287 PWs) bands (ev): -39.7583 -39.7583 -39.7293 -39.7293 -18.7784 -18.7784 -18.7076 -18.7076 -18.3066 -18.3066 -18.2541 -18.2541 -18.1973 -18.1973 -18.1558 -18.1558 0.5050 0.5050 2.8906 2.8906 5.7728 5.7728 5.8777 5.8777 5.8836 5.8836 7.4949 7.4949 7.5009 7.5009 9.0840 9.0840 9.0915 9.0915 9.2741 9.2741 10.8581 10.8581 11.4220 11.4220 11.4362 11.4362 k = 0.3784 0.2185 0.1545 ( 4296 PWs) bands (ev): -39.7578 -39.7578 -39.7298 -39.7298 -18.7775 -18.7775 -18.7090 -18.7090 -18.3071 -18.3071 -18.2519 -18.2519 -18.1991 -18.1991 -18.1554 -18.1554 0.5629 0.5629 2.7946 2.7946 5.7619 5.7619 5.8585 5.8585 5.8644 5.8644 7.5060 7.5060 7.5124 7.5124 9.1271 9.1271 9.1344 9.1344 9.2570 9.2570 10.9420 10.9420 11.3822 11.3822 11.3962 11.3962 k = 0.3919 0.2263 0.1600 ( 4299 PWs) bands (ev): -39.7574 -39.7574 -39.7302 -39.7302 -18.7767 -18.7767 -18.7104 -18.7104 -18.3075 -18.3075 -18.2498 -18.2498 -18.2009 -18.2009 -18.1550 -18.1550 0.6199 0.6199 2.7033 2.7033 5.7524 5.7524 5.8413 5.8413 5.8472 5.8472 7.5162 7.5162 7.5229 7.5229 9.1669 9.1669 9.1740 9.1740 9.2372 9.2372 11.0279 11.0279 11.3447 11.3447 11.3585 11.3585 k = 0.4054 0.2341 0.1655 ( 4305 PWs) bands (ev): -39.7570 -39.7570 -39.7306 -39.7306 -18.7759 -18.7759 -18.7116 -18.7116 -18.3078 -18.3078 -18.2478 -18.2478 -18.2026 -18.2026 -18.1547 -18.1547 0.6752 0.6752 2.6176 2.6176 5.7442 5.7442 5.8261 5.8261 5.8320 5.8320 7.5253 7.5253 7.5324 7.5324 9.2025 9.2025 9.2098 9.2098 9.2167 9.2167 11.1128 11.1128 11.3100 11.3100 11.3237 11.3237 k = 0.4189 0.2419 0.1710 ( 4293 PWs) bands (ev): -39.7566 -39.7566 -39.7310 -39.7310 -18.7752 -18.7752 -18.7127 -18.7127 -18.3081 -18.3081 -18.2459 -18.2459 -18.2042 -18.2042 -18.1544 -18.1544 0.7278 0.7278 2.5386 2.5386 5.7373 5.7373 5.8130 5.8130 5.8188 5.8188 7.5334 7.5334 7.5409 7.5409 9.1957 9.1957 9.2352 9.2352 9.2416 9.2416 11.1938 11.1938 11.2789 11.2789 11.2923 11.2923 k = 0.4324 0.2497 0.1765 ( 4299 PWs) bands (ev): -39.7563 -39.7563 -39.7313 -39.7313 -18.7745 -18.7745 -18.7137 -18.7137 -18.3084 -18.3084 -18.2442 -18.2442 -18.2058 -18.2058 -18.1541 -18.1541 0.7766 0.7766 2.4674 2.4674 5.7316 5.7316 5.8018 5.8018 5.8076 5.8076 7.5404 7.5404 7.5481 7.5481 9.1771 9.1771 9.2628 9.2628 9.2690 9.2690 11.2500 11.2500 11.2647 11.2647 11.2698 11.2698 k = 0.4459 0.2575 0.1821 ( 4287 PWs) bands (ev): -39.7561 -39.7561 -39.7315 -39.7315 -18.7740 -18.7740 -18.7145 -18.7145 -18.3086 -18.3086 -18.2426 -18.2426 -18.2072 -18.2072 -18.1539 -18.1539 0.8200 0.8200 2.4056 2.4056 5.7270 5.7270 5.7927 5.7927 5.7984 5.7984 7.5462 7.5462 7.5541 7.5541 9.1609 9.1609 9.2860 9.2860 9.2920 9.2920 11.2278 11.2278 11.2415 11.2415 11.3344 11.3344 k = 0.4595 0.2653 0.1876 ( 4299 PWs) bands (ev): -39.7558 -39.7558 -39.7317 -39.7317 -18.7736 -18.7736 -18.7151 -18.7151 -18.3088 -18.3088 -18.2412 -18.2412 -18.2084 -18.2084 -18.1537 -18.1537 0.8564 0.8564 2.3549 2.3549 5.7234 5.7234 5.7855 5.7855 5.7913 5.7913 7.5507 7.5507 7.5589 7.5589 9.1477 9.1477 9.3043 9.3043 9.3102 9.3102 11.2093 11.2093 11.2230 11.2230 11.3883 11.3883 k = 0.4730 0.2731 0.1931 ( 4311 PWs) bands (ev): -39.7557 -39.7557 -39.7319 -39.7319 -18.7733 -18.7733 -18.7156 -18.7156 -18.3089 -18.3089 -18.2402 -18.2402 -18.2093 -18.2093 -18.1536 -18.1536 0.8841 0.8841 2.3170 2.3170 5.7209 5.7209 5.7804 5.7804 5.7861 5.7861 7.5540 7.5540 7.5623 7.5623 9.1379 9.1379 9.3175 9.3175 9.3233 9.3233 11.1959 11.1959 11.2095 11.2095 11.4286 11.4286 k = 0.4865 0.2809 0.1986 ( 4314 PWs) bands (ev): -39.7556 -39.7556 -39.7320 -39.7320 -18.7731 -18.7731 -18.7159 -18.7159 -18.3090 -18.3090 -18.2396 -18.2396 -18.2099 -18.2099 -18.1535 -18.1535 0.9015 0.9015 2.2935 2.2935 5.7195 5.7195 5.7774 5.7774 5.7831 5.7831 7.5560 7.5560 7.5643 7.5643 9.1319 9.1319 9.3256 9.3256 9.3313 9.3313 11.1877 11.1877 11.2013 11.2013 11.4536 11.4536 k = 0.5000 0.2887 0.2041 ( 4314 PWs) bands (ev): -39.7556 -39.7556 -39.7320 -39.7320 -18.7731 -18.7731 -18.7160 -18.7160 -18.3090 -18.3090 -18.2394 -18.2394 -18.2101 -18.2101 -18.1535 -18.1535 0.9074 0.9074 2.2855 2.2855 5.7190 5.7190 5.7763 5.7763 5.7821 5.7821 7.5566 7.5566 7.5650 7.5650 9.1299 9.1299 9.3282 9.3282 9.3339 9.3339 11.1849 11.1849 11.1985 11.1985 11.4621 11.4621 k = 0.5000 0.2887 0.2041 ( 4314 PWs) bands (ev): -39.7556 -39.7556 -39.7320 -39.7320 -18.7731 -18.7731 -18.7160 -18.7160 -18.3090 -18.3090 -18.2394 -18.2394 -18.2101 -18.2101 -18.1535 -18.1535 0.9074 0.9074 2.2855 2.2855 5.7190 5.7190 5.7763 5.7763 5.7821 5.7821 7.5566 7.5566 7.5650 7.5650 9.1299 9.1299 9.3282 9.3282 9.3339 9.3339 11.1849 11.1849 11.1985 11.1985 11.4621 11.4621 k = 0.5048 0.2748 0.2120 ( 4314 PWs) bands (ev): -39.7555 -39.7555 -39.7320 -39.7320 -18.7730 -18.7730 -18.7160 -18.7160 -18.3090 -18.3090 -18.2393 -18.2393 -18.2102 -18.2102 -18.1535 -18.1535 0.9086 0.9086 2.2860 2.2860 5.6342 5.6342 5.7779 5.7779 5.8641 5.8641 7.5550 7.5550 7.5655 7.5655 9.1311 9.1311 9.3290 9.3290 9.3350 9.3350 11.1811 11.1811 11.1956 11.1956 11.4592 11.4592 k = 0.5096 0.2609 0.2198 ( 4314 PWs) bands (ev): -39.7555 -39.7555 -39.7321 -39.7321 -18.7729 -18.7729 -18.7162 -18.7162 -18.3090 -18.3090 -18.2392 -18.2392 -18.2103 -18.2103 -18.1535 -18.1535 0.9120 0.9120 2.2876 2.2876 5.5259 5.5259 5.7741 5.7741 5.9724 5.9724 7.5454 7.5454 7.5721 7.5721 9.1338 9.1338 9.3301 9.3301 9.3401 9.3401 11.1663 11.1663 11.1906 11.1906 11.4507 11.4507 k = 0.5144 0.2470 0.2277 ( 4302 PWs) bands (ev): -39.7554 -39.7554 -39.7322 -39.7322 -18.7727 -18.7727 -18.7164 -18.7164 -18.3089 -18.3089 -18.2391 -18.2391 -18.2104 -18.2104 -18.1535 -18.1535 0.9178 0.9178 2.2903 2.2903 5.4172 5.4172 5.7679 5.7679 6.0807 6.0807 7.5286 7.5286 7.5849 7.5849 9.1353 9.1353 9.3307 9.3307 9.3522 9.3522 11.1396 11.1396 11.1857 11.1857 11.4365 11.4365 k = 0.5192 0.2332 0.2355 ( 4302 PWs) bands (ev): -39.7553 -39.7553 -39.7323 -39.7323 -18.7725 -18.7725 -18.7167 -18.7167 -18.3089 -18.3089 -18.2388 -18.2388 -18.2106 -18.2106 -18.1535 -18.1535 0.9259 0.9259 2.2939 2.2939 5.3095 5.3095 5.7593 5.7593 6.1869 6.1869 7.5070 7.5070 7.6030 7.6030 9.1324 9.1324 9.3308 9.3308 9.3731 9.3731 11.1038 11.1038 11.1797 11.1797 11.4169 11.4169 k = 0.5240 0.2193 0.2434 ( 4302 PWs) bands (ev): -39.7552 -39.7552 -39.7324 -39.7324 -18.7723 -18.7723 -18.7171 -18.7171 -18.3088 -18.3088 -18.2385 -18.2385 -18.2110 -18.2110 -18.1534 -18.1534 0.9362 0.9362 2.2983 2.2983 5.2034 5.2034 5.7486 5.7486 6.2894 6.2894 7.4831 7.4831 7.6260 7.6260 9.1228 9.1228 9.3309 9.3309 9.4037 9.4037 11.0613 11.0613 11.1723 11.1723 11.3920 11.3920 k = 0.5288 0.2054 0.2512 ( 4300 PWs) bands (ev): -39.7550 -39.7550 -39.7326 -39.7326 -18.7719 -18.7719 -18.7176 -18.7176 -18.3088 -18.3088 -18.2381 -18.2381 -18.2113 -18.2113 -18.1534 -18.1534 0.9489 0.9489 2.3034 2.3034 5.0993 5.0993 5.7360 5.7360 6.3861 6.3861 7.4600 7.4600 7.6537 7.6537 9.1059 9.1059 9.3310 9.3310 9.4432 9.4432 11.0143 11.0143 11.1634 11.1634 11.3621 11.3621 k = 0.5337 0.1915 0.2591 ( 4310 PWs) bands (ev): -39.7548 -39.7548 -39.7328 -39.7328 -18.7716 -18.7716 -18.7182 -18.7182 -18.3087 -18.3087 -18.2377 -18.2377 -18.2118 -18.2118 -18.1534 -18.1534 0.9638 0.9638 2.3090 2.3090 4.9975 4.9975 5.7216 5.7216 6.4741 6.4741 7.4414 7.4414 7.6858 7.6858 9.0817 9.0817 9.3311 9.3311 9.4901 9.4901 10.9646 10.9646 11.1528 11.1528 11.3275 11.3275 k = 0.5385 0.1776 0.2669 ( 4306 PWs) bands (ev): -39.7545 -39.7545 -39.7330 -39.7330 -18.7711 -18.7711 -18.7188 -18.7188 -18.3086 -18.3086 -18.2372 -18.2372 -18.2122 -18.2122 -18.1533 -18.1533 0.9809 0.9809 2.3147 2.3147 4.8985 4.8985 5.7058 5.7058 6.5498 6.5498 7.4319 7.4319 7.7221 7.7221 9.0510 9.0510 9.3312 9.3312 9.5426 9.5426 10.9141 10.9141 11.1404 11.1404 11.2887 11.2887 k = 0.5433 0.1638 0.2748 ( 4307 PWs) bands (ev): -39.7543 -39.7543 -39.7333 -39.7333 -18.7706 -18.7706 -18.7196 -18.7196 -18.3085 -18.3085 -18.2367 -18.2367 -18.2127 -18.2127 -18.1533 -18.1533 1.0003 1.0003 2.3204 2.3204 4.8026 4.8026 5.6889 5.6889 6.6087 6.6087 7.4365 7.4365 7.7621 7.7621 9.0143 9.0143 9.3313 9.3313 9.5990 9.5990 10.8642 10.8642 11.1263 11.1263 11.2462 11.2462 k = 0.5481 0.1499 0.2826 ( 4307 PWs) bands (ev): -39.7540 -39.7540 -39.7336 -39.7336 -18.7701 -18.7701 -18.7203 -18.7203 -18.3084 -18.3084 -18.2362 -18.2362 -18.2132 -18.2132 -18.1533 -18.1533 1.0219 1.0219 2.3256 2.3256 4.7104 4.7104 5.6710 5.6710 6.6474 6.6474 7.4593 7.4593 7.8057 7.8057 8.9722 8.9722 9.3316 9.3316 9.6577 9.6577 10.8162 10.8162 11.1104 11.1104 11.2006 11.2006 k = 0.5529 0.1360 0.2905 ( 4303 PWs) bands (ev): -39.7537 -39.7537 -39.7339 -39.7339 -18.7694 -18.7694 -18.7212 -18.7212 -18.3082 -18.3082 -18.2357 -18.2357 -18.2136 -18.2136 -18.1533 -18.1533 1.0456 1.0456 2.3299 2.3299 4.6223 4.6223 5.6524 5.6524 6.6646 6.6646 7.5019 7.5019 7.8525 7.8525 8.9250 8.9250 9.3319 9.3319 9.7175 9.7175 10.7712 10.7712 11.0927 11.0927 11.1526 11.1526 k = 0.5577 0.1221 0.2983 ( 4301 PWs) bands (ev): -39.7533 -39.7533 -39.7343 -39.7343 -18.7688 -18.7688 -18.7222 -18.7222 -18.3081 -18.3081 -18.2352 -18.2352 -18.2141 -18.2141 -18.1533 -18.1533 1.0715 1.0715 2.3330 2.3330 4.5388 4.5388 5.6333 5.6333 6.6625 6.6625 7.5623 7.5623 7.9022 7.9022 8.8733 8.8733 9.3323 9.3323 9.7771 9.7771 10.7301 10.7301 11.0731 11.0731 11.1030 11.1030 k = 0.5625 0.1083 0.3062 ( 4297 PWs) bands (ev): -39.7529 -39.7529 -39.7346 -39.7346 -18.7680 -18.7680 -18.7232 -18.7232 -18.3079 -18.3079 -18.2348 -18.2348 -18.2144 -18.2144 -18.1533 -18.1533 1.0995 1.0995 2.3342 2.3342 4.4605 4.4605 5.6140 5.6140 6.6452 6.6452 7.6364 7.6364 7.9546 7.9546 8.8177 8.8177 9.3329 9.3329 9.8355 9.8355 10.6935 10.6935 11.0497 11.0497 11.0546 11.0546 k = 0.5673 0.0944 0.3140 ( 4296 PWs) bands (ev): -39.7526 -39.7526 -39.7350 -39.7350 -18.7672 -18.7672 -18.7242 -18.7242 -18.3077 -18.3077 -18.2345 -18.2345 -18.2147 -18.2147 -18.1533 -18.1533 1.1296 1.1296 2.3331 2.3331 4.3880 4.3880 5.5946 5.5946 6.6173 6.6173 7.7194 7.7194 8.0093 8.0093 8.7591 8.7591 9.3335 9.3335 9.8915 9.8915 10.6622 10.6622 11.0015 11.0015 11.0294 11.0294 k = 0.5721 0.0805 0.3219 ( 4292 PWs) bands (ev): -39.7521 -39.7521 -39.7355 -39.7355 -18.7664 -18.7664 -18.7253 -18.7253 -18.3075 -18.3075 -18.2343 -18.2343 -18.2149 -18.2149 -18.1534 -18.1534 1.1616 1.1616 2.3290 2.3290 4.3219 4.3219 5.5754 5.5754 6.5823 6.5823 7.8069 7.8069 8.0661 8.0661 8.6988 8.6988 9.3344 9.3344 9.9440 9.9440 10.6361 10.6361 10.9524 10.9524 11.0047 11.0047 k = 0.5769 0.0666 0.3297 ( 4298 PWs) bands (ev): -39.7517 -39.7517 -39.7359 -39.7359 -18.7656 -18.7656 -18.7265 -18.7265 -18.3073 -18.3073 -18.2343 -18.2343 -18.2149 -18.2149 -18.1534 -18.1534 1.1955 1.1955 2.3215 2.3215 4.2629 4.2629 5.5564 5.5564 6.5431 6.5431 7.8944 7.8944 8.1246 8.1246 8.6386 8.6386 9.3354 9.3354 9.9921 9.9921 10.6153 10.6153 10.9058 10.9058 10.9786 10.9786 k = 0.5817 0.0527 0.3376 ( 4291 PWs) bands (ev): -39.7512 -39.7512 -39.7363 -39.7363 -18.7646 -18.7646 -18.7277 -18.7277 -18.3070 -18.3070 -18.2345 -18.2345 -18.2146 -18.2146 -18.1535 -18.1535 1.2312 1.2312 2.3100 2.3100 4.2115 4.2115 5.5379 5.5379 6.5018 6.5018 7.9770 7.9770 8.1845 8.1845 8.5821 8.5821 9.3368 9.3368 10.0350 10.0350 10.5987 10.5987 10.8640 10.8640 10.9511 10.9511 k = 0.5865 0.0389 0.3454 ( 4293 PWs) bands (ev): -39.7508 -39.7508 -39.7368 -39.7368 -18.7637 -18.7637 -18.7289 -18.7289 -18.3067 -18.3067 -18.2349 -18.2349 -18.2143 -18.2143 -18.1536 -18.1536 1.2685 1.2685 2.2941 2.2941 4.1682 4.1682 5.5199 5.5199 6.4598 6.4598 8.0467 8.0467 8.2455 8.2455 8.5357 8.5357 9.3384 9.3384 10.0719 10.0719 10.5845 10.5845 10.8295 10.8295 10.9224 10.9224 k = 0.5913 0.0250 0.3533 ( 4287 PWs) bands (ev): -39.7503 -39.7503 -39.7373 -39.7373 -18.7627 -18.7627 -18.7301 -18.7301 -18.3064 -18.3064 -18.2354 -18.2354 -18.2137 -18.2137 -18.1537 -18.1537 1.3072 1.3072 2.2736 2.2736 4.1335 4.1335 5.5027 5.5027 6.4180 6.4180 8.0913 8.0913 8.3071 8.3071 8.5111 8.5111 9.3405 9.3405 10.1027 10.1027 10.5696 10.5696 10.8058 10.8058 10.8927 10.8927 k = 0.5962 0.0111 0.3611 ( 4288 PWs) bands (ev): -39.7498 -39.7498 -39.7378 -39.7378 -18.7617 -18.7617 -18.7314 -18.7314 -18.3061 -18.3061 -18.2362 -18.2362 -18.2129 -18.2129 -18.1539 -18.1539 1.3471 1.3471 2.2486 2.2486 4.1075 4.1075 5.4863 5.4863 6.3773 6.3773 8.0979 8.0979 8.3689 8.3689 8.5204 8.5204 9.3432 9.3432 10.1277 10.1277 10.5512 10.5512 10.7955 10.7955 10.8622 10.8622 k = 0.6010-0.0028 0.3690 ( 4287 PWs) bands (ev): -39.7493 -39.7493 -39.7383 -39.7383 -18.7607 -18.7607 -18.7326 -18.7326 -18.3057 -18.3057 -18.2371 -18.2371 -18.2121 -18.2121 -18.1541 -18.1541 1.3877 1.3877 2.2192 2.2192 4.0903 4.0903 5.4708 5.4708 6.3384 6.3384 8.0674 8.0674 8.4304 8.4304 8.5618 8.5618 9.3468 9.3468 10.1475 10.1475 10.5287 10.5287 10.7987 10.7987 10.8314 10.8314 k = 0.6058-0.0167 0.3768 ( 4285 PWs) bands (ev): -39.7488 -39.7488 -39.7388 -39.7388 -18.7597 -18.7597 -18.7338 -18.7338 -18.3053 -18.3053 -18.2381 -18.2381 -18.2110 -18.2110 -18.1543 -18.1543 1.4285 1.4285 2.1862 2.1862 4.0817 4.0817 5.4563 5.4563 6.3015 6.3015 8.0131 8.0131 8.4910 8.4910 8.6218 8.6218 9.3514 9.3514 10.1629 10.1629 10.5038 10.5038 10.7986 10.7986 10.8149 10.8149 k = 0.6106-0.0305 0.3847 ( 4279 PWs) bands (ev): -39.7484 -39.7484 -39.7392 -39.7392 -18.7587 -18.7587 -18.7349 -18.7349 -18.3049 -18.3049 -18.2393 -18.2393 -18.2099 -18.2099 -18.1545 -18.1545 1.4684 1.4684 2.1508 2.1508 4.0816 4.0816 5.4429 5.4429 6.2672 6.2672 7.9459 7.9459 8.5498 8.5498 8.6886 8.6886 9.3575 9.3575 10.1747 10.1747 10.4792 10.4792 10.7680 10.7680 10.8370 10.8370 k = 0.6154-0.0444 0.3925 ( 4279 PWs) bands (ev): -39.7479 -39.7479 -39.7397 -39.7397 -18.7578 -18.7578 -18.7360 -18.7360 -18.3045 -18.3045 -18.2406 -18.2406 -18.2086 -18.2086 -18.1548 -18.1548 1.5061 1.5061 2.1148 2.1148 4.0894 4.0894 5.4306 5.4306 6.2356 6.2356 7.8720 7.8720 8.6060 8.6060 8.7554 8.7554 9.3656 9.3656 10.1835 10.1835 10.4575 10.4575 10.7372 10.7372 10.8650 10.8650 k = 0.6202-0.0583 0.4004 ( 4282 PWs) bands (ev): -39.7475 -39.7475 -39.7400 -39.7400 -18.7570 -18.7570 -18.7369 -18.7369 -18.3040 -18.3040 -18.2420 -18.2420 -18.2073 -18.2073 -18.1551 -18.1551 1.5392 1.5392 2.0809 2.0809 4.1045 4.1045 5.4196 5.4196 6.2070 6.2070 7.7947 7.7947 8.6586 8.6586 8.8185 8.8185 9.3762 9.3762 10.1894 10.1894 10.4408 10.4408 10.7069 10.7069 10.8961 10.8961 k = 0.6250-0.0722 0.4082 ( 4272 PWs) bands (ev): -39.7472 -39.7472 -39.7403 -39.7403 -18.7564 -18.7564 -18.7376 -18.7376 -18.3035 -18.3035 -18.2434 -18.2434 -18.2059 -18.2059 -18.1554 -18.1554 1.5643 1.5643 2.0532 2.0532 4.1265 4.1265 5.4099 5.4099 6.1816 6.1816 7.7156 7.7156 8.7064 8.7064 8.8757 8.8757 9.3901 9.3901 10.1924 10.1924 10.4307 10.4307 10.6778 10.6778 10.9290 10.9290 k = 0.6250-0.0722 0.4082 ( 4272 PWs) bands (ev): -39.7472 -39.7472 -39.7403 -39.7403 -18.7564 -18.7564 -18.7376 -18.7376 -18.3035 -18.3035 -18.2434 -18.2434 -18.2059 -18.2059 -18.1554 -18.1554 1.5643 1.5643 2.0532 2.0532 4.1265 4.1265 5.4099 5.4099 6.1816 6.1816 7.7156 7.7156 8.7064 8.7064 8.8757 8.8757 9.3901 9.3901 10.1924 10.1924 10.4307 10.4307 10.6778 10.6778 10.9290 10.9290 k = 0.6167-0.0674 0.4219 ( 4282 PWs) bands (ev): -39.7472 -39.7472 -39.7404 -39.7404 -18.7564 -18.7564 -18.7377 -18.7377 -18.3036 -18.3036 -18.2433 -18.2433 -18.2061 -18.2061 -18.1554 -18.1554 1.5655 1.5655 2.0525 2.0525 4.1279 4.1279 5.3916 5.3916 6.2029 6.2029 7.7164 7.7164 8.7007 8.7007 8.8664 8.8664 9.3966 9.3966 10.1945 10.1945 10.4290 10.4290 10.6746 10.6746 10.9349 10.9349 k = 0.6083-0.0625 0.4355 ( 4275 PWs) bands (ev): -39.7472 -39.7472 -39.7404 -39.7404 -18.7563 -18.7563 -18.7377 -18.7377 -18.3036 -18.3036 -18.2431 -18.2431 -18.2063 -18.2063 -18.1553 -18.1553 1.5692 1.5692 2.0506 2.0506 4.1319 4.1319 5.3422 5.3422 6.2616 6.2616 7.7190 7.7190 8.6840 8.6840 8.8400 8.8400 9.4151 9.4151 10.2005 10.2005 10.4245 10.4245 10.6659 10.6659 10.9516 10.9516 k = 0.6000-0.0577 0.4491 ( 4285 PWs) bands (ev): -39.7471 -39.7471 -39.7405 -39.7405 -18.7561 -18.7561 -18.7379 -18.7379 -18.3037 -18.3037 -18.2427 -18.2427 -18.2067 -18.2067 -18.1553 -18.1553 1.5753 1.5753 2.0474 2.0474 4.1386 4.1386 5.2721 5.2721 6.3471 6.3471 7.7233 7.7233 8.6568 8.6568 8.7993 8.7993 9.4425 9.4425 10.2085 10.2085 10.4185 10.4185 10.6538 10.6538 10.9769 10.9769 k = 0.5917-0.0529 0.4627 ( 4281 PWs) bands (ev): -39.7470 -39.7470 -39.7406 -39.7406 -18.7559 -18.7559 -18.7381 -18.7381 -18.3039 -18.3039 -18.2421 -18.2421 -18.2072 -18.2072 -18.1552 -18.1552 1.5839 1.5839 2.0427 2.0427 4.1479 4.1479 5.1908 5.1908 6.4500 6.4500 7.7293 7.7293 8.6202 8.6202 8.7479 8.7479 9.4759 9.4759 10.2158 10.2158 10.4134 10.4134 10.6402 10.6402 11.0083 11.0083 k = 0.5833-0.0481 0.4763 ( 4285 PWs) bands (ev): -39.7468 -39.7468 -39.7407 -39.7407 -18.7557 -18.7557 -18.7384 -18.7384 -18.3040 -18.3040 -18.2414 -18.2414 -18.2079 -18.2079 -18.1550 -18.1550 1.5949 1.5949 2.0364 2.0364 4.1599 4.1599 5.1046 5.1046 6.5643 6.5643 7.7369 7.7369 8.5753 8.5753 8.6883 8.6883 9.5128 9.5128 10.2185 10.2185 10.4125 10.4125 10.6266 10.6266 11.0441 11.0441 k = 0.5750-0.0433 0.4899 ( 4282 PWs) bands (ev): -39.7467 -39.7467 -39.7409 -39.7409 -18.7554 -18.7554 -18.7387 -18.7387 -18.3042 -18.3042 -18.2406 -18.2406 -18.2086 -18.2086 -18.1549 -18.1549 1.6084 1.6084 2.0283 2.0283 4.1745 4.1745 5.0171 5.0171 6.6862 6.6862 7.7463 7.7463 8.5234 8.5234 8.6225 8.6225 9.5520 9.5520 10.2134 10.2134 10.4186 10.4186 10.6138 10.6138 11.0827 11.0827 k = 0.5667-0.0385 0.5035 ( 4278 PWs) bands (ev): -39.7465 -39.7465 -39.7411 -39.7411 -18.7551 -18.7551 -18.7391 -18.7391 -18.3044 -18.3044 -18.2396 -18.2396 -18.2095 -18.2095 -18.1547 -18.1547 1.6243 1.6243 2.0183 2.0183 4.1917 4.1917 4.9308 4.9308 6.8134 6.8134 7.7573 7.7573 8.4656 8.4656 8.5519 8.5519 9.5923 9.5923 10.1991 10.1991 10.4322 10.4322 10.6023 10.6023 11.1230 11.1230 k = 0.5583-0.0337 0.5171 ( 4284 PWs) bands (ev): -39.7462 -39.7462 -39.7414 -39.7414 -18.7547 -18.7547 -18.7395 -18.7395 -18.3046 -18.3046 -18.2386 -18.2386 -18.2105 -18.2105 -18.1545 -18.1545 1.6426 1.6426 2.0061 2.0061 4.2114 4.2114 4.8474 4.8474 6.9444 6.9444 7.7698 7.7698 8.4031 8.4031 8.4776 8.4776 9.6331 9.6331 10.1770 10.1770 10.4515 10.4515 10.5925 10.5925 11.1642 11.1642 k = 0.5500-0.0289 0.5307 ( 4282 PWs) bands (ev): -39.7460 -39.7460 -39.7416 -39.7416 -18.7543 -18.7543 -18.7400 -18.7400 -18.3047 -18.3047 -18.2375 -18.2375 -18.2116 -18.2116 -18.1544 -18.1544 1.6634 1.6634 1.9914 1.9914 4.2337 4.2337 4.7681 4.7681 7.0781 7.0781 7.7840 7.7840 8.3369 8.3369 8.4002 8.4002 9.6744 9.6744 10.1491 10.1491 10.4738 10.4738 10.5843 10.5843 11.2054 11.2054 k = 0.5417-0.0241 0.5443 ( 4280 PWs) bands (ev): -39.7457 -39.7457 -39.7419 -39.7419 -18.7539 -18.7539 -18.7405 -18.7405 -18.3049 -18.3049 -18.2364 -18.2364 -18.2126 -18.2126 -18.1542 -18.1542 1.6865 1.6865 1.9740 1.9740 4.2585 4.2585 4.6938 4.6938 7.2138 7.2138 7.7997 7.7997 8.2677 8.2677 8.3206 8.3206 9.7158 9.7158 10.1170 10.1170 10.4968 10.4968 10.5777 10.5777 11.2461 11.2461 k = 0.5333-0.0192 0.5579 ( 4281 PWs) bands (ev): -39.7453 -39.7453 -39.7422 -39.7422 -18.7534 -18.7534 -18.7409 -18.7409 -18.3051 -18.3051 -18.2353 -18.2353 -18.2137 -18.2137 -18.1541 -18.1541 1.7121 1.7121 1.9536 1.9536 4.2856 4.2856 4.6251 4.6251 7.3506 7.3506 7.8168 7.8168 8.1965 8.1965 8.2390 8.2390 9.7574 9.7574 10.0820 10.0820 10.5185 10.5185 10.5729 10.5729 11.2855 11.2855 k = 0.5250-0.0144 0.5715 ( 4283 PWs) bands (ev): -39.7450 -39.7450 -39.7426 -39.7426 -18.7531 -18.7531 -18.7414 -18.7414 -18.3052 -18.3052 -18.2343 -18.2343 -18.2147 -18.2147 -18.1540 -18.1540 1.7400 1.7400 1.9300 1.9300 4.3152 4.3152 4.5627 4.5627 7.4881 7.4881 7.8353 7.8353 8.1239 8.1239 8.1560 8.1560 9.7991 9.7991 10.0448 10.0448 10.5371 10.5371 10.5697 10.5697 11.3233 11.3234 k = 0.5167-0.0096 0.5852 ( 4276 PWs) bands (ev): -39.7446 -39.7446 -39.7430 -39.7430 -18.7527 -18.7527 -18.7417 -18.7417 -18.3053 -18.3053 -18.2334 -18.2334 -18.2155 -18.2155 -18.1539 -18.1539 1.7703 1.7703 1.9030 1.9030 4.3470 4.3470 4.5071 4.5071 7.6257 7.6257 7.8549 7.8549 8.0508 8.0508 8.0721 8.0721 9.8408 9.8408 10.0060 10.0060 10.5509 10.5509 10.5686 10.5686 11.3591 11.3591 k = 0.5083-0.0048 0.5988 ( 4284 PWs) bands (ev): -39.7442 -39.7442 -39.7434 -39.7434 -18.7525 -18.7525 -18.7420 -18.7420 -18.3054 -18.3054 -18.2328 -18.2328 -18.2161 -18.2161 -18.1539 -18.1539 1.8030 1.8030 1.8723 1.8723 4.3811 4.3811 4.4587 4.4587 7.7624 7.7624 7.8748 7.8748 7.9781 7.9781 7.9880 7.9880 9.8824 9.8824 9.9660 9.9660 10.5578 10.5578 10.5700 10.5700 11.3923 11.3924 k = 0.5000-0.0000 0.6124 ( 4284 PWs) bands (ev): -39.7438 -39.7438 -39.7438 -39.7438 -18.7524 -18.7524 -18.7421 -18.7421 -18.3054 -18.3054 -18.2326 -18.2326 -18.2163 -18.2163 -18.1538 -18.1538 1.8367 1.8367 1.8393 1.8393 4.4149 4.4149 4.4200 4.4200 7.8803 7.8803 7.8851 7.8851 7.9162 7.9162 7.9218 7.9218 9.9195 9.9195 9.9296 9.9296 10.5595 10.5595 10.5714 10.5714 11.4209 11.4236 k = 0.5000-0.0000 0.6124 ( 4284 PWs) bands (ev): -39.7438 -39.7438 -39.7438 -39.7438 -18.7524 -18.7524 -18.7421 -18.7421 -18.3054 -18.3054 -18.2326 -18.2326 -18.2163 -18.2163 -18.1538 -18.1538 1.8367 1.8367 1.8393 1.8393 4.4149 4.4149 4.4200 4.4200 7.8803 7.8803 7.8851 7.8851 7.9162 7.9162 7.9218 7.9218 9.9195 9.9195 9.9296 9.9296 10.5595 10.5595 10.5714 10.5714 11.4219 11.4229 k = 0.5000 0.0096 0.5988 ( 4284 PWs) bands (ev): -39.7444 -39.7444 -39.7432 -39.7432 -18.7526 -18.7526 -18.7419 -18.7419 -18.3054 -18.3054 -18.2326 -18.2326 -18.2163 -18.2163 -18.1538 -18.1538 1.7867 1.7867 1.8889 1.8889 4.3667 4.3667 4.4722 4.4722 7.8307 7.8307 7.8551 7.8551 7.9483 7.9483 7.9700 7.9700 9.8644 9.8644 9.9827 9.9827 10.5586 10.5586 10.5707 10.5707 11.3825 11.3826 k = 0.5000 0.0192 0.5852 ( 4274 PWs) bands (ev): -39.7450 -39.7450 -39.7426 -39.7426 -18.7531 -18.7531 -18.7412 -18.7412 -18.3054 -18.3054 -18.2325 -18.2325 -18.2164 -18.2164 -18.1538 -18.1538 1.7354 1.7354 1.9390 1.9390 4.3205 4.3205 4.5304 4.5304 7.7753 7.7753 7.8015 7.8015 8.0038 8.0038 8.0258 8.0258 9.8033 9.8033 10.0379 10.0379 10.5562 10.5562 10.5687 10.5687 11.3440 11.3440 k = 0.5000 0.0289 0.5715 ( 4284 PWs) bands (ev): -39.7456 -39.7456 -39.7419 -39.7419 -18.7539 -18.7539 -18.7404 -18.7404 -18.3055 -18.3055 -18.2324 -18.2324 -18.2164 -18.2164 -18.1538 -18.1538 1.6844 1.6844 1.9880 1.9880 4.2793 4.2793 4.5915 4.5915 7.7206 7.7206 7.7477 7.7477 8.0589 8.0589 8.0824 8.0824 9.7412 9.7412 10.0895 10.0895 10.5523 10.5523 10.5661 10.5661 11.3077 11.3077 k = 0.5000 0.0385 0.5579 ( 4284 PWs) bands (ev): -39.7462 -39.7462 -39.7413 -39.7413 -18.7549 -18.7549 -18.7393 -18.7393 -18.3056 -18.3056 -18.2323 -18.2323 -18.2166 -18.2166 -18.1537 -18.1537 1.6338 1.6338 2.0352 2.0352 4.2437 4.2437 4.6552 4.6552 7.6676 7.6676 7.6944 7.6944 8.1120 8.1120 8.1396 8.1396 9.6789 9.6789 10.1359 10.1359 10.5474 10.5474 10.5642 10.5642 11.2739 11.2739 k = 0.5000 0.0481 0.5443 ( 4284 PWs) bands (ev): -39.7468 -39.7468 -39.7407 -39.7407 -18.7560 -18.7560 -18.7381 -18.7381 -18.3057 -18.3057 -18.2322 -18.2322 -18.2167 -18.2167 -18.1537 -18.1537 1.5841 1.5841 2.0804 2.0804 4.2143 4.2143 4.7210 4.7210 7.6167 7.6167 7.6415 7.6415 8.1619 8.1619 8.1970 8.1970 9.6171 9.6171 10.1750 10.1750 10.5418 10.5418 10.5651 10.5651 11.2431 11.2431 k = 0.5000 0.0577 0.5307 ( 4292 PWs) bands (ev): -39.7474 -39.7474 -39.7402 -39.7402 -18.7571 -18.7571 -18.7369 -18.7369 -18.3059 -18.3059 -18.2321 -18.2321 -18.2168 -18.2168 -18.1537 -18.1537 1.5353 1.5353 2.1229 2.1229 4.1917 4.1917 4.7883 4.7883 7.5683 7.5683 7.5891 7.5891 8.2070 8.2070 8.2547 8.2547 9.5567 9.5567 10.2037 10.2037 10.5358 10.5358 10.5718 10.5718 11.2154 11.2154 k = 0.5000 0.0674 0.5171 ( 4286 PWs) bands (ev): -39.7480 -39.7480 -39.7396 -39.7396 -18.7582 -18.7582 -18.7356 -18.7356 -18.3060 -18.3060 -18.2320 -18.2320 -18.2169 -18.2169 -18.1536 -18.1536 1.4876 1.4876 2.1623 2.1623 4.1764 4.1764 4.8568 4.8568 7.5228 7.5228 7.5370 7.5370 8.2457 8.2457 8.3125 8.3125 9.4992 9.4992 10.2192 10.2192 10.5302 10.5302 10.5871 10.5871 11.1911 11.1911 k = 0.5000 0.0770 0.5035 ( 4286 PWs) bands (ev): -39.7486 -39.7486 -39.7390 -39.7390 -18.7593 -18.7593 -18.7343 -18.7343 -18.3062 -18.3062 -18.2320 -18.2320 -18.2170 -18.2170 -18.1535 -18.1535 1.4413 1.4413 2.1981 2.1981 4.1689 4.1689 4.9260 4.9260 7.4805 7.4805 7.4853 7.4853 8.2760 8.2760 8.3703 8.3703 9.4459 9.4459 10.2200 10.2200 10.5257 10.5257 10.6125 10.6125 11.1704 11.1704 k = 0.5000 0.0866 0.4899 ( 4290 PWs) bands (ev): -39.7491 -39.7491 -39.7384 -39.7384 -18.7604 -18.7604 -18.7329 -18.7329 -18.3064 -18.3064 -18.2320 -18.2320 -18.2170 -18.2170 -18.1535 -18.1535 1.3963 1.3963 2.2300 2.2300 4.1698 4.1698 4.9954 4.9954 7.4333 7.4333 7.4421 7.4421 8.2958 8.2958 8.4279 8.4279 9.3987 9.3987 10.2070 10.2070 10.5231 10.5231 10.6472 10.6472 11.1531 11.1531 k = 0.5000 0.0962 0.4763 ( 4292 PWs) bands (ev): -39.7497 -39.7497 -39.7379 -39.7379 -18.7615 -18.7615 -18.7316 -18.7316 -18.3066 -18.3066 -18.2320 -18.2320 -18.2170 -18.2170 -18.1534 -18.1534 1.3530 1.3530 2.2576 2.2576 4.1792 4.1792 5.0644 5.0644 7.3815 7.3815 7.4075 7.4075 8.3034 8.3034 8.4851 8.4851 9.3592 9.3592 10.1823 10.1823 10.5235 10.5235 10.6891 10.6891 11.1393 11.1393 k = 0.5000 0.1058 0.4627 ( 4296 PWs) bands (ev): -39.7502 -39.7502 -39.7374 -39.7374 -18.7626 -18.7626 -18.7303 -18.7303 -18.3068 -18.3068 -18.2321 -18.2321 -18.2169 -18.2169 -18.1534 -18.1534 1.3112 1.3112 2.2807 2.2807 4.1974 4.1974 5.1326 5.1326 7.3291 7.3291 7.3772 7.3772 8.2972 8.2972 8.5419 8.5419 9.3288 9.3288 10.1485 10.1485 10.5276 10.5276 10.7359 10.7359 11.1288 11.1288 k = 0.5000 0.1155 0.4491 ( 4296 PWs) bands (ev): -39.7507 -39.7507 -39.7369 -39.7369 -18.7636 -18.7636 -18.7290 -18.7290 -18.3070 -18.3070 -18.2323 -18.2323 -18.2167 -18.2167 -18.1534 -18.1534 1.2713 1.2713 2.2994 2.2994 4.2245 4.2245 5.1994 5.1994 7.2760 7.2760 7.3516 7.3516 8.2771 8.2771 8.5979 8.5979 9.3078 9.3078 10.1076 10.1076 10.5361 10.5361 10.7860 10.7860 11.1213 11.1213 k = 0.5000 0.1251 0.4355 ( 4298 PWs) bands (ev): -39.7512 -39.7512 -39.7364 -39.7364 -18.7646 -18.7646 -18.7278 -18.7278 -18.3072 -18.3072 -18.2326 -18.2326 -18.2165 -18.2165 -18.1533 -18.1533 1.2331 1.2331 2.3138 2.3138 4.2603 4.2603 5.2643 5.2643 7.2216 7.2216 7.3311 7.3311 8.2437 8.2437 8.6529 8.6529 9.2955 9.2955 10.0611 10.0611 10.5498 10.5498 10.8379 10.8379 11.1167 11.1167 k = 0.5000 0.1347 0.4219 ( 4298 PWs) bands (ev): -39.7517 -39.7517 -39.7359 -39.7359 -18.7655 -18.7655 -18.7265 -18.7265 -18.3074 -18.3074 -18.2330 -18.2330 -18.2162 -18.2162 -18.1533 -18.1533 1.1969 1.1969 2.3242 2.3242 4.3045 4.3045 5.3267 5.3267 7.1655 7.1655 7.3158 7.3158 8.1990 8.1990 8.7067 8.7067 9.2906 9.2906 10.0101 10.0101 10.5691 10.5691 10.8908 10.8908 11.1148 11.1148 k = 0.5000 0.1443 0.4082 ( 4318 PWs) bands (ev): -39.7521 -39.7521 -39.7355 -39.7355 -18.7664 -18.7664 -18.7254 -18.7254 -18.3076 -18.3076 -18.2335 -18.2335 -18.2158 -18.2158 -18.1533 -18.1533 1.1626 1.1626 2.3308 2.3308 4.3567 4.3567 5.3861 5.3861 7.1071 7.1071 7.3062 7.3062 8.1457 8.1457 8.7590 8.7590 9.2911 9.2911 9.9556 9.9556 10.5942 10.5942 10.9438 10.9438 11.1152 11.1152 k = 0.5000 0.1540 0.3946 ( 4296 PWs) bands (ev): -39.7525 -39.7525 -39.7350 -39.7350 -18.7672 -18.7672 -18.7243 -18.7243 -18.3078 -18.3078 -18.2339 -18.2339 -18.2153 -18.2153 -18.1533 -18.1533 1.1303 1.1303 2.3342 2.3342 4.4165 4.4165 5.4420 5.4420 7.0459 7.0459 7.3024 7.3024 8.0865 8.0865 8.8097 8.8097 9.2950 9.2950 9.8986 9.8986 10.6252 10.6252 10.9964 10.9964 11.1181 11.1181 k = 0.5000 0.1636 0.3810 ( 4300 PWs) bands (ev): -39.7529 -39.7529 -39.7346 -39.7346 -18.7680 -18.7680 -18.7232 -18.7232 -18.3079 -18.3079 -18.2344 -18.2344 -18.2148 -18.2148 -18.1533 -18.1533 1.1000 1.1000 2.3349 2.3349 4.4834 4.4834 5.4938 5.4938 6.9812 6.9812 7.3044 7.3044 8.0243 8.0243 8.8583 8.8583 9.3007 9.3007 9.8395 9.8395 10.6618 10.6618 11.0471 11.0471 11.1238 11.1238 k = 0.5000 0.1732 0.3674 ( 4298 PWs) bands (ev): -39.7533 -39.7533 -39.7343 -39.7343 -18.7687 -18.7687 -18.7222 -18.7222 -18.3081 -18.3081 -18.2350 -18.2350 -18.2143 -18.2143 -18.1532 -18.1532 1.0719 1.0719 2.3334 2.3334 4.5567 4.5567 5.5413 5.5413 6.9122 6.9122 7.3121 7.3121 7.9614 7.9614 8.9045 8.9045 9.3068 9.3068 9.7793 9.7793 10.7036 10.7036 11.0924 11.0924 11.1351 11.1351 k = 0.5000 0.1828 0.3538 ( 4302 PWs) bands (ev): -39.7537 -39.7537 -39.7339 -39.7339 -18.7694 -18.7694 -18.7212 -18.7212 -18.3082 -18.3082 -18.2355 -18.2355 -18.2138 -18.2138 -18.1533 -18.1533 1.0459 1.0459 2.3302 2.3302 4.6358 4.6358 5.5841 5.5841 6.8387 6.8387 7.3253 7.3253 7.9000 7.9000 8.9480 8.9480 9.3127 9.3127 9.7186 9.7186 10.7499 10.7499 11.1198 11.1198 11.1637 11.1637 k = 0.5000 0.1925 0.3402 ( 4298 PWs) bands (ev): -39.7540 -39.7540 -39.7336 -39.7336 -18.7700 -18.7700 -18.7204 -18.7204 -18.3084 -18.3084 -18.2361 -18.2361 -18.2132 -18.2132 -18.1533 -18.1533 1.0221 1.0221 2.3257 2.3257 4.7203 4.7203 5.6223 5.6223 6.7601 6.7601 7.3436 7.3436 7.8418 7.8418 8.9883 8.9883 9.3178 9.3178 9.6583 9.6583 10.7998 10.7998 11.1323 11.1323 11.2061 11.2061 k = 0.5000 0.2021 0.3266 ( 4298 PWs) bands (ev): -39.7543 -39.7543 -39.7333 -39.7333 -18.7706 -18.7706 -18.7195 -18.7195 -18.3085 -18.3085 -18.2366 -18.2366 -18.2127 -18.2127 -18.1533 -18.1533 1.0004 1.0004 2.3205 2.3205 4.8095 4.8095 5.6556 5.6556 6.6763 6.6763 7.3663 7.3663 7.7880 7.7880 9.0250 9.0250 9.3220 9.3220 9.5995 9.5995 10.8521 10.8521 11.1417 11.1417 11.2495 11.2495 k = 0.5000 0.2117 0.3130 ( 4298 PWs) bands (ev): -39.7545 -39.7545 -39.7330 -39.7330 -18.7711 -18.7711 -18.7188 -18.7188 -18.3086 -18.3086 -18.2372 -18.2372 -18.2122 -18.2122 -18.1533 -18.1533 0.9810 0.9810 2.3148 2.3148 4.9030 4.9030 5.6843 5.6843 6.5873 6.5873 7.3923 7.3923 7.7394 7.7394 9.0576 9.0576 9.3252 9.3252 9.5431 9.5431 10.9057 10.9057 11.1505 11.1505 11.2907 11.2907 k = 0.5000 0.2213 0.2994 ( 4296 PWs) bands (ev): -39.7548 -39.7548 -39.7328 -39.7328 -18.7715 -18.7715 -18.7182 -18.7182 -18.3087 -18.3087 -18.2376 -18.2376 -18.2118 -18.2118 -18.1533 -18.1533 0.9638 0.9638 2.3090 2.3090 5.0002 5.0002 5.7086 5.7086 6.4935 6.4935 7.4207 7.4207 7.6967 7.6967 9.0854 9.0854 9.3275 9.3275 9.4906 9.4906 10.9592 10.9592 11.1588 11.1588 11.3286 11.3286 k = 0.5000 0.2309 0.2858 ( 4294 PWs) bands (ev): -39.7550 -39.7550 -39.7326 -39.7326 -18.7719 -18.7719 -18.7176 -18.7176 -18.3087 -18.3087 -18.2381 -18.2381 -18.2113 -18.2113 -18.1534 -18.1534 0.9489 0.9489 2.3034 2.3034 5.1007 5.1007 5.7287 5.7287 6.3954 6.3954 7.4500 7.4500 7.6599 7.6599 9.1077 9.1077 9.3291 9.3291 9.4437 9.4437 11.0110 11.0110 11.1668 11.1668 11.3626 11.3626 k = 0.5000 0.2406 0.2722 ( 4296 PWs) bands (ev): -39.7552 -39.7552 -39.7324 -39.7324 -18.7722 -18.7722 -18.7171 -18.7171 -18.3088 -18.3088 -18.2385 -18.2385 -18.2110 -18.2110 -18.1534 -18.1534 0.9363 0.9363 2.2984 2.2984 5.2040 5.2040 5.7450 5.7450 6.2935 6.2935 7.4788 7.4788 7.6291 7.6291 9.1235 9.1235 9.3300 9.3300 9.4041 9.4041 11.0596 11.0596 11.1740 11.1740 11.3922 11.3922 k = 0.5000 0.2502 0.2586 ( 4304 PWs) bands (ev): -39.7553 -39.7553 -39.7323 -39.7323 -18.7725 -18.7725 -18.7167 -18.7167 -18.3089 -18.3089 -18.2388 -18.2388 -18.2107 -18.2107 -18.1535 -18.1535 0.9259 0.9259 2.2939 2.2939 5.3096 5.3096 5.7578 5.7578 6.1885 6.1885 7.5053 7.5053 7.6043 7.6043 9.1326 9.1326 9.3305 9.3305 9.3734 9.3734 11.1030 11.1030 11.1804 11.1804 11.4169 11.4169 k = 0.5000 0.2598 0.2449 ( 4306 PWs) bands (ev): -39.7554 -39.7554 -39.7322 -39.7322 -18.7727 -18.7727 -18.7164 -18.7164 -18.3089 -18.3089 -18.2391 -18.2391 -18.2104 -18.2104 -18.1535 -18.1535 0.9178 0.9178 2.2903 2.2903 5.4171 5.4171 5.7674 5.7674 6.0813 6.0813 7.5281 7.5281 7.5853 7.5853 9.1353 9.1353 9.3305 9.3305 9.3523 9.3523 11.1393 11.1393 11.1859 11.1859 11.4365 11.4365 k = 0.5000 0.2694 0.2313 ( 4314 PWs) bands (ev): -39.7555 -39.7555 -39.7321 -39.7321 -18.7729 -18.7729 -18.7162 -18.7162 -18.3090 -18.3090 -18.2392 -18.2392 -18.2103 -18.2103 -18.1535 -18.1535 0.9120 0.9120 2.2877 2.2877 5.5257 5.5257 5.7740 5.7740 5.9726 5.9726 7.5453 7.5453 7.5722 7.5722 9.1338 9.1338 9.3301 9.3301 9.3401 9.3401 11.1662 11.1662 11.1907 11.1907 11.4507 11.4507 k = 0.5000 0.2791 0.2177 ( 4314 PWs) bands (ev): -39.7555 -39.7555 -39.7320 -39.7320 -18.7730 -18.7730 -18.7160 -18.7160 -18.3090 -18.3090 -18.2393 -18.2393 -18.2102 -18.2102 -18.1535 -18.1535 0.9086 0.9086 2.2860 2.2860 5.6341 5.6341 5.7779 5.7779 5.8641 5.8641 7.5550 7.5550 7.5655 7.5655 9.1311 9.1311 9.3290 9.3290 9.3350 9.3350 11.1811 11.1811 11.1956 11.1956 11.4592 11.4592 k = 0.5000 0.2887 0.2041 ( 4314 PWs) bands (ev): -39.7556 -39.7556 -39.7320 -39.7320 -18.7731 -18.7731 -18.7160 -18.7160 -18.3090 -18.3090 -18.2394 -18.2394 -18.2101 -18.2101 -18.1535 -18.1535 0.9074 0.9074 2.2855 2.2855 5.7190 5.7190 5.7763 5.7763 5.7821 5.7821 7.5566 7.5566 7.5650 7.5650 9.1299 9.1299 9.3282 9.3282 9.3339 9.3339 11.1849 11.1849 11.1985 11.1985 11.4621 11.4621 k = 0.5000 0.2887 0.2041 ( 4314 PWs) bands (ev): -39.7556 -39.7556 -39.7320 -39.7320 -18.7731 -18.7731 -18.7160 -18.7160 -18.3090 -18.3090 -18.2394 -18.2394 -18.2101 -18.2101 -18.1535 -18.1535 0.9074 0.9074 2.2855 2.2855 5.7190 5.7190 5.7763 5.7763 5.7821 5.7821 7.5566 7.5566 7.5650 7.5650 9.1299 9.1299 9.3282 9.3282 9.3339 9.3339 11.1849 11.1849 11.1985 11.1985 11.4621 11.4621 k = 0.4952 0.2859 0.2198 ( 4314 PWs) bands (ev): -39.7555 -39.7555 -39.7320 -39.7320 -18.7730 -18.7730 -18.7160 -18.7160 -18.3090 -18.3090 -18.2393 -18.2393 -18.2102 -18.2102 -18.1535 -18.1535 0.9086 0.9086 2.2860 2.2860 5.6342 5.6342 5.7779 5.7779 5.8641 5.8641 7.5550 7.5550 7.5655 7.5655 9.1311 9.1311 9.3290 9.3290 9.3350 9.3350 11.1811 11.1811 11.1956 11.1956 11.4592 11.4592 k = 0.4904 0.2831 0.2355 ( 4314 PWs) bands (ev): -39.7555 -39.7555 -39.7321 -39.7321 -18.7729 -18.7729 -18.7162 -18.7162 -18.3090 -18.3090 -18.2392 -18.2392 -18.2103 -18.2103 -18.1535 -18.1535 0.9120 0.9120 2.2876 2.2876 5.5259 5.5259 5.7741 5.7741 5.9724 5.9724 7.5454 7.5454 7.5721 7.5721 9.1338 9.1338 9.3301 9.3301 9.3401 9.3401 11.1663 11.1663 11.1906 11.1906 11.4507 11.4507 k = 0.4856 0.2803 0.2512 ( 4302 PWs) bands (ev): -39.7554 -39.7554 -39.7322 -39.7322 -18.7727 -18.7727 -18.7164 -18.7164 -18.3089 -18.3089 -18.2391 -18.2391 -18.2104 -18.2104 -18.1535 -18.1535 0.9178 0.9178 2.2903 2.2903 5.4172 5.4172 5.7679 5.7679 6.0807 6.0807 7.5286 7.5286 7.5849 7.5849 9.1353 9.1353 9.3307 9.3307 9.3522 9.3522 11.1396 11.1396 11.1857 11.1857 11.4365 11.4365 k = 0.4808 0.2776 0.2669 ( 4302 PWs) bands (ev): -39.7553 -39.7553 -39.7323 -39.7323 -18.7725 -18.7725 -18.7167 -18.7167 -18.3089 -18.3089 -18.2388 -18.2388 -18.2106 -18.2106 -18.1535 -18.1535 0.9259 0.9259 2.2939 2.2939 5.3095 5.3095 5.7593 5.7593 6.1869 6.1869 7.5070 7.5070 7.6030 7.6030 9.1324 9.1324 9.3308 9.3308 9.3731 9.3731 11.1038 11.1038 11.1797 11.1797 11.4169 11.4169 k = 0.4760 0.2748 0.2826 ( 4302 PWs) bands (ev): -39.7552 -39.7552 -39.7324 -39.7324 -18.7723 -18.7723 -18.7171 -18.7171 -18.3088 -18.3088 -18.2385 -18.2385 -18.2110 -18.2110 -18.1534 -18.1534 0.9362 0.9362 2.2983 2.2983 5.2034 5.2034 5.7486 5.7486 6.2894 6.2894 7.4831 7.4831 7.6260 7.6260 9.1228 9.1228 9.3309 9.3309 9.4037 9.4037 11.0613 11.0613 11.1723 11.1723 11.3920 11.3920 k = 0.4712 0.2720 0.2983 ( 4300 PWs) bands (ev): -39.7550 -39.7550 -39.7326 -39.7326 -18.7719 -18.7719 -18.7176 -18.7176 -18.3088 -18.3088 -18.2381 -18.2381 -18.2113 -18.2113 -18.1534 -18.1534 0.9489 0.9489 2.3034 2.3034 5.0993 5.0993 5.7360 5.7360 6.3861 6.3861 7.4600 7.4600 7.6537 7.6537 9.1059 9.1059 9.3310 9.3310 9.4432 9.4432 11.0143 11.0143 11.1634 11.1634 11.3621 11.3621 k = 0.4663 0.2692 0.3140 ( 4310 PWs) bands (ev): -39.7548 -39.7548 -39.7328 -39.7328 -18.7716 -18.7716 -18.7182 -18.7182 -18.3087 -18.3087 -18.2377 -18.2377 -18.2118 -18.2118 -18.1534 -18.1534 0.9638 0.9638 2.3090 2.3090 4.9975 4.9975 5.7216 5.7216 6.4741 6.4741 7.4414 7.4414 7.6858 7.6858 9.0817 9.0817 9.3311 9.3311 9.4901 9.4901 10.9646 10.9646 11.1528 11.1528 11.3275 11.3275 k = 0.4615 0.2665 0.3297 ( 4306 PWs) bands (ev): -39.7545 -39.7545 -39.7330 -39.7330 -18.7711 -18.7711 -18.7188 -18.7188 -18.3086 -18.3086 -18.2372 -18.2372 -18.2122 -18.2122 -18.1533 -18.1533 0.9809 0.9809 2.3147 2.3147 4.8985 4.8985 5.7058 5.7058 6.5498 6.5498 7.4319 7.4319 7.7221 7.7221 9.0510 9.0510 9.3312 9.3312 9.5426 9.5426 10.9141 10.9141 11.1404 11.1404 11.2887 11.2887 k = 0.4567 0.2637 0.3454 ( 4307 PWs) bands (ev): -39.7543 -39.7543 -39.7333 -39.7333 -18.7706 -18.7706 -18.7196 -18.7196 -18.3085 -18.3085 -18.2367 -18.2367 -18.2127 -18.2127 -18.1533 -18.1533 1.0003 1.0003 2.3204 2.3204 4.8026 4.8026 5.6889 5.6889 6.6087 6.6087 7.4365 7.4365 7.7621 7.7621 9.0143 9.0143 9.3313 9.3313 9.5990 9.5990 10.8642 10.8642 11.1263 11.1263 11.2462 11.2462 k = 0.4519 0.2609 0.3611 ( 4307 PWs) bands (ev): -39.7540 -39.7540 -39.7336 -39.7336 -18.7701 -18.7701 -18.7203 -18.7203 -18.3084 -18.3084 -18.2362 -18.2362 -18.2132 -18.2132 -18.1533 -18.1533 1.0219 1.0219 2.3256 2.3256 4.7104 4.7104 5.6710 5.6710 6.6474 6.6474 7.4593 7.4593 7.8057 7.8057 8.9722 8.9722 9.3316 9.3316 9.6577 9.6577 10.8162 10.8162 11.1104 11.1104 11.2006 11.2006 k = 0.4471 0.2581 0.3768 ( 4303 PWs) bands (ev): -39.7537 -39.7537 -39.7339 -39.7339 -18.7694 -18.7694 -18.7212 -18.7212 -18.3082 -18.3082 -18.2357 -18.2357 -18.2136 -18.2136 -18.1533 -18.1533 1.0456 1.0456 2.3299 2.3299 4.6223 4.6223 5.6524 5.6524 6.6646 6.6646 7.5019 7.5019 7.8525 7.8525 8.9250 8.9250 9.3319 9.3319 9.7175 9.7175 10.7712 10.7712 11.0927 11.0927 11.1526 11.1526 k = 0.4423 0.2554 0.3925 ( 4301 PWs) bands (ev): -39.7533 -39.7533 -39.7343 -39.7343 -18.7688 -18.7688 -18.7222 -18.7222 -18.3081 -18.3081 -18.2352 -18.2352 -18.2141 -18.2141 -18.1533 -18.1533 1.0715 1.0715 2.3330 2.3330 4.5388 4.5388 5.6333 5.6333 6.6625 6.6625 7.5623 7.5623 7.9022 7.9022 8.8733 8.8733 9.3323 9.3323 9.7771 9.7771 10.7301 10.7301 11.0731 11.0731 11.1030 11.1030 k = 0.4375 0.2526 0.4082 ( 4297 PWs) bands (ev): -39.7529 -39.7529 -39.7346 -39.7346 -18.7680 -18.7680 -18.7232 -18.7232 -18.3079 -18.3079 -18.2348 -18.2348 -18.2144 -18.2144 -18.1533 -18.1533 1.0995 1.0995 2.3342 2.3342 4.4605 4.4605 5.6140 5.6140 6.6452 6.6452 7.6364 7.6364 7.9546 7.9546 8.8177 8.8177 9.3329 9.3329 9.8355 9.8355 10.6935 10.6935 11.0497 11.0497 11.0546 11.0546 k = 0.4327 0.2498 0.4240 ( 4296 PWs) bands (ev): -39.7526 -39.7526 -39.7350 -39.7350 -18.7672 -18.7672 -18.7242 -18.7242 -18.3077 -18.3077 -18.2345 -18.2345 -18.2147 -18.2147 -18.1533 -18.1533 1.1296 1.1296 2.3331 2.3331 4.3880 4.3880 5.5946 5.5946 6.6173 6.6173 7.7194 7.7194 8.0093 8.0093 8.7591 8.7591 9.3335 9.3335 9.8915 9.8915 10.6622 10.6622 11.0015 11.0015 11.0294 11.0294 k = 0.4279 0.2470 0.4397 ( 4292 PWs) bands (ev): -39.7521 -39.7521 -39.7355 -39.7355 -18.7664 -18.7664 -18.7253 -18.7253 -18.3075 -18.3075 -18.2343 -18.2343 -18.2149 -18.2149 -18.1534 -18.1534 1.1616 1.1616 2.3290 2.3290 4.3219 4.3219 5.5754 5.5754 6.5823 6.5823 7.8069 7.8069 8.0661 8.0661 8.6988 8.6988 9.3344 9.3344 9.9440 9.9440 10.6361 10.6361 10.9524 10.9524 11.0047 11.0047 k = 0.4231 0.2443 0.4554 ( 4298 PWs) bands (ev): -39.7517 -39.7517 -39.7359 -39.7359 -18.7656 -18.7656 -18.7265 -18.7265 -18.3073 -18.3073 -18.2343 -18.2343 -18.2149 -18.2149 -18.1534 -18.1534 1.1955 1.1955 2.3215 2.3215 4.2629 4.2629 5.5564 5.5564 6.5431 6.5431 7.8944 7.8944 8.1246 8.1246 8.6386 8.6386 9.3354 9.3354 9.9921 9.9921 10.6153 10.6153 10.9058 10.9058 10.9786 10.9786 k = 0.4183 0.2415 0.4711 ( 4291 PWs) bands (ev): -39.7512 -39.7512 -39.7363 -39.7363 -18.7646 -18.7646 -18.7277 -18.7277 -18.3070 -18.3070 -18.2345 -18.2345 -18.2146 -18.2146 -18.1535 -18.1535 1.2312 1.2312 2.3100 2.3100 4.2115 4.2115 5.5379 5.5379 6.5018 6.5018 7.9770 7.9770 8.1845 8.1845 8.5821 8.5821 9.3368 9.3368 10.0350 10.0350 10.5987 10.5987 10.8640 10.8640 10.9511 10.9511 k = 0.4135 0.2387 0.4868 ( 4293 PWs) bands (ev): -39.7508 -39.7508 -39.7368 -39.7368 -18.7637 -18.7637 -18.7289 -18.7289 -18.3067 -18.3067 -18.2349 -18.2349 -18.2143 -18.2143 -18.1536 -18.1536 1.2685 1.2685 2.2941 2.2941 4.1682 4.1682 5.5199 5.5199 6.4598 6.4598 8.0467 8.0467 8.2455 8.2455 8.5357 8.5357 9.3384 9.3384 10.0719 10.0719 10.5845 10.5845 10.8295 10.8295 10.9224 10.9224 k = 0.4087 0.2359 0.5025 ( 4287 PWs) bands (ev): -39.7503 -39.7503 -39.7373 -39.7373 -18.7627 -18.7627 -18.7301 -18.7301 -18.3064 -18.3064 -18.2354 -18.2354 -18.2137 -18.2137 -18.1537 -18.1537 1.3072 1.3072 2.2736 2.2736 4.1335 4.1335 5.5027 5.5027 6.4180 6.4180 8.0913 8.0913 8.3071 8.3071 8.5111 8.5111 9.3405 9.3405 10.1027 10.1027 10.5696 10.5696 10.8058 10.8058 10.8927 10.8927 k = 0.4038 0.2332 0.5182 ( 4288 PWs) bands (ev): -39.7498 -39.7498 -39.7378 -39.7378 -18.7617 -18.7617 -18.7314 -18.7314 -18.3061 -18.3061 -18.2362 -18.2362 -18.2129 -18.2129 -18.1539 -18.1539 1.3471 1.3471 2.2486 2.2486 4.1075 4.1075 5.4863 5.4863 6.3773 6.3773 8.0979 8.0979 8.3689 8.3689 8.5204 8.5204 9.3432 9.3432 10.1277 10.1277 10.5512 10.5512 10.7955 10.7955 10.8622 10.8622 k = 0.3990 0.2304 0.5339 ( 4287 PWs) bands (ev): -39.7493 -39.7493 -39.7383 -39.7383 -18.7607 -18.7607 -18.7326 -18.7326 -18.3057 -18.3057 -18.2371 -18.2371 -18.2121 -18.2121 -18.1541 -18.1541 1.3877 1.3877 2.2192 2.2192 4.0903 4.0903 5.4708 5.4708 6.3384 6.3384 8.0674 8.0674 8.4304 8.4304 8.5618 8.5618 9.3468 9.3468 10.1475 10.1475 10.5287 10.5287 10.7987 10.7987 10.8314 10.8314 k = 0.3942 0.2276 0.5496 ( 4285 PWs) bands (ev): -39.7488 -39.7488 -39.7388 -39.7388 -18.7597 -18.7597 -18.7338 -18.7338 -18.3053 -18.3053 -18.2381 -18.2381 -18.2110 -18.2110 -18.1543 -18.1543 1.4285 1.4285 2.1862 2.1862 4.0817 4.0817 5.4563 5.4563 6.3015 6.3015 8.0131 8.0131 8.4910 8.4910 8.6218 8.6218 9.3514 9.3514 10.1629 10.1629 10.5038 10.5038 10.7986 10.7986 10.8149 10.8149 k = 0.3894 0.2248 0.5653 ( 4279 PWs) bands (ev): -39.7484 -39.7484 -39.7392 -39.7392 -18.7587 -18.7587 -18.7349 -18.7349 -18.3049 -18.3049 -18.2393 -18.2393 -18.2099 -18.2099 -18.1545 -18.1545 1.4684 1.4684 2.1508 2.1508 4.0816 4.0816 5.4429 5.4429 6.2672 6.2672 7.9459 7.9459 8.5498 8.5498 8.6886 8.6886 9.3575 9.3575 10.1747 10.1747 10.4792 10.4792 10.7680 10.7680 10.8370 10.8370 k = 0.3846 0.2221 0.5810 ( 4279 PWs) bands (ev): -39.7479 -39.7479 -39.7397 -39.7397 -18.7578 -18.7578 -18.7360 -18.7360 -18.3045 -18.3045 -18.2406 -18.2406 -18.2086 -18.2086 -18.1548 -18.1548 1.5061 1.5061 2.1148 2.1148 4.0894 4.0894 5.4306 5.4306 6.2356 6.2356 7.8720 7.8720 8.6060 8.6060 8.7554 8.7554 9.3656 9.3656 10.1835 10.1835 10.4575 10.4575 10.7372 10.7372 10.8650 10.8650 k = 0.3798 0.2193 0.5967 ( 4282 PWs) bands (ev): -39.7475 -39.7475 -39.7400 -39.7400 -18.7570 -18.7570 -18.7369 -18.7369 -18.3040 -18.3040 -18.2420 -18.2420 -18.2073 -18.2073 -18.1551 -18.1551 1.5392 1.5392 2.0809 2.0809 4.1045 4.1045 5.4196 5.4196 6.2070 6.2070 7.7947 7.7947 8.6586 8.6586 8.8185 8.8185 9.3762 9.3762 10.1894 10.1894 10.4408 10.4408 10.7069 10.7069 10.8961 10.8961 k = 0.3750 0.2165 0.6124 ( 4272 PWs) bands (ev): -39.7472 -39.7472 -39.7403 -39.7403 -18.7564 -18.7564 -18.7376 -18.7376 -18.3035 -18.3035 -18.2434 -18.2434 -18.2059 -18.2059 -18.1554 -18.1554 1.5643 1.5643 2.0532 2.0532 4.1265 4.1265 5.4099 5.4099 6.1816 6.1816 7.7156 7.7156 8.7064 8.7064 8.8757 8.8757 9.3901 9.3901 10.1924 10.1924 10.4307 10.4307 10.6778 10.6778 10.9290 10.9290 k = 0.6250-0.0722 0.4082 ( 4272 PWs) bands (ev): -39.7472 -39.7472 -39.7403 -39.7403 -18.7564 -18.7564 -18.7376 -18.7376 -18.3035 -18.3035 -18.2434 -18.2434 -18.2059 -18.2059 -18.1554 -18.1554 1.5643 1.5643 2.0532 2.0532 4.1265 4.1265 5.4099 5.4099 6.1816 6.1816 7.7156 7.7156 8.7064 8.7064 8.8757 8.8757 9.3901 9.3901 10.1924 10.1924 10.4307 10.4307 10.6778 10.6778 10.9290 10.9290 k = 0.6167-0.0866 0.4082 ( 4288 PWs) bands (ev): -39.7468 -39.7468 -39.7408 -39.7408 -18.7555 -18.7555 -18.7387 -18.7387 -18.3027 -18.3027 -18.2460 -18.2460 -18.2036 -18.2036 -18.1561 -18.1561 1.5963 1.5963 2.0146 2.0146 4.1742 4.1742 5.3948 5.3948 6.1413 6.1413 7.5765 7.5765 8.7849 8.7849 8.9698 8.9698 9.4174 9.4174 10.1941 10.1941 10.4196 10.4196 10.6288 10.6288 10.9830 10.9830 k = 0.6083-0.1010 0.4082 ( 4282 PWs) bands (ev): -39.7464 -39.7464 -39.7412 -39.7412 -18.7546 -18.7546 -18.7396 -18.7396 -18.3017 -18.3017 -18.2486 -18.2486 -18.2012 -18.2012 -18.1568 -18.1568 1.6244 1.6244 1.9786 1.9786 4.2298 4.2298 5.3807 5.3807 6.1031 6.1031 7.4358 7.4358 8.8645 8.8645 9.0660 9.0660 9.4449 9.4449 10.1941 10.1941 10.4090 10.4090 10.5810 10.5810 11.0280 11.0280 k = 0.6000-0.1155 0.4082 ( 4292 PWs) bands (ev): -39.7460 -39.7460 -39.7415 -39.7415 -18.7538 -18.7538 -18.7405 -18.7405 -18.3006 -18.3006 -18.2512 -18.2512 -18.1988 -18.1988 -18.1576 -18.1576 1.6488 1.6488 1.9452 1.9452 4.2930 4.2930 5.3678 5.3678 6.0672 6.0672 7.2937 7.2937 8.9448 8.9448 9.1641 9.1641 9.4725 9.4725 10.1926 10.1926 10.3987 10.3987 10.5343 10.5343 11.0620 11.0620 k = 0.5917-0.1299 0.4082 ( 4288 PWs) bands (ev): -39.7457 -39.7457 -39.7419 -39.7419 -18.7530 -18.7530 -18.7414 -18.7414 -18.2994 -18.2994 -18.2538 -18.2538 -18.1964 -18.1964 -18.1585 -18.1585 1.6698 1.6698 1.9145 1.9145 4.3634 4.3634 5.3559 5.3559 6.0338 6.0338 7.1511 7.1511 9.0259 9.0259 9.2640 9.2640 9.5002 9.5002 10.1902 10.1902 10.3886 10.3886 10.4889 10.4889 11.0832 11.0832 k = 0.5833-0.1443 0.4082 ( 4284 PWs) bands (ev): -39.7454 -39.7454 -39.7422 -39.7422 -18.7523 -18.7523 -18.7421 -18.7421 -18.2982 -18.2982 -18.2564 -18.2564 -18.1941 -18.1941 -18.1594 -18.1594 1.6876 1.6876 1.8865 1.8865 4.4406 4.4406 5.3451 5.3451 6.0029 6.0029 7.0083 7.0083 9.1073 9.1073 9.3654 9.3654 9.5278 9.5278 10.1873 10.1873 10.3785 10.3785 10.4450 10.4450 11.0897 11.0897 k = 0.5750-0.1588 0.4082 ( 4292 PWs) bands (ev): -39.7451 -39.7451 -39.7425 -39.7425 -18.7516 -18.7516 -18.7429 -18.7429 -18.2968 -18.2968 -18.2591 -18.2591 -18.1918 -18.1918 -18.1605 -18.1605 1.7026 1.7026 1.8611 1.8611 4.5240 4.5240 5.3354 5.3354 5.9746 5.9746 6.8660 6.8660 9.1886 9.1886 9.4682 9.4682 9.5553 9.5553 10.1840 10.1840 10.3686 10.3686 10.4028 10.4028 11.0806 11.0884 k = 0.5667-0.1732 0.4082 ( 4284 PWs) bands (ev): -39.7448 -39.7448 -39.7428 -39.7428 -18.7510 -18.7510 -18.7435 -18.7435 -18.2953 -18.2953 -18.2616 -18.2616 -18.1895 -18.1895 -18.1616 -18.1616 1.7149 1.7149 1.8383 1.8383 4.6131 4.6131 5.3267 5.3267 5.9491 5.9491 6.7247 6.7247 9.2696 9.2696 9.5718 9.5718 9.5827 9.5827 10.1808 10.1808 10.3570 10.3570 10.3643 10.3643 11.0238 11.0238 k = 0.5583-0.1876 0.4082 ( 4272 PWs) bands (ev): -39.7446 -39.7446 -39.7430 -39.7430 -18.7504 -18.7504 -18.7441 -18.7441 -18.2938 -18.2938 -18.2641 -18.2641 -18.1873 -18.1873 -18.1628 -18.1628 1.7250 1.7250 1.8182 1.8182 4.7070 4.7070 5.3191 5.3191 5.9265 5.9265 6.5851 6.5851 9.3495 9.3495 9.6088 9.6088 9.6770 9.6770 10.1777 10.1777 10.3231 10.3231 10.3509 10.3509 10.9392 10.9393 k = 0.5500-0.2021 0.4082 ( 4268 PWs) bands (ev): -39.7444 -39.7444 -39.7432 -39.7432 -18.7498 -18.7498 -18.7446 -18.7446 -18.2921 -18.2921 -18.2666 -18.2666 -18.1851 -18.1851 -18.1641 -18.1641 1.7332 1.7332 1.8008 1.8008 4.8049 4.8049 5.3125 5.3125 5.9067 5.9067 6.4479 6.4479 9.4274 9.4274 9.6343 9.6343 9.7822 9.7822 10.1749 10.1749 10.2874 10.2874 10.3424 10.3424 10.8569 10.8569 k = 0.5417-0.2165 0.4082 ( 4276 PWs) bands (ev): -39.7442 -39.7442 -39.7434 -39.7434 -18.7493 -18.7493 -18.7452 -18.7452 -18.2904 -18.2904 -18.2691 -18.2691 -18.1830 -18.1830 -18.1654 -18.1654 1.7396 1.7396 1.7861 1.7861 4.9056 4.9056 5.3069 5.3069 5.8898 5.8898 6.3142 6.3142 9.5019 9.5019 9.6582 9.6582 9.8873 9.8873 10.1724 10.1724 10.2546 10.2546 10.3348 10.3348 10.7782 10.7782 k = 0.5333-0.2309 0.4082 ( 4280 PWs) bands (ev): -39.7440 -39.7440 -39.7435 -39.7435 -18.7489 -18.7489 -18.7456 -18.7456 -18.2886 -18.2886 -18.2715 -18.2715 -18.1810 -18.1810 -18.1669 -18.1669 1.7445 1.7445 1.7740 1.7740 5.0071 5.0071 5.3023 5.3023 5.8760 5.8760 6.1858 6.1858 9.5712 9.5712 9.6800 9.6800 9.9916 9.9916 10.1704 10.1704 10.2256 10.2256 10.3283 10.3283 10.7053 10.7054 k = 0.5250-0.2454 0.4082 ( 4270 PWs) bands (ev): -39.7439 -39.7439 -39.7436 -39.7436 -18.7484 -18.7484 -18.7461 -18.7461 -18.2867 -18.2867 -18.2738 -18.2738 -18.1790 -18.1790 -18.1684 -18.1684 1.7481 1.7481 1.7646 1.7646 5.1063 5.1063 5.2988 5.2988 5.8652 5.8652 6.0658 6.0658 9.6324 9.6324 9.6987 9.6987 10.0938 10.0938 10.1689 10.1689 10.2013 10.2013 10.3231 10.3231 10.6412 10.6412 k = 0.5167-0.2598 0.4082 ( 4280 PWs) bands (ev): -39.7439 -39.7439 -39.7437 -39.7437 -18.7480 -18.7480 -18.7465 -18.7465 -18.2848 -18.2848 -18.2762 -18.2762 -18.1771 -18.1771 -18.1700 -18.1700 1.7506 1.7506 1.7579 1.7579 5.1970 5.1970 5.2963 5.2963 5.8575 5.8575 5.9603 5.9603 9.6817 9.6817 9.7132 9.7132 10.1673 10.1673 10.1817 10.1817 10.1927 10.1927 10.3193 10.3193 10.5898 10.5898 k = 0.5083-0.2742 0.4082 ( 4264 PWs) bands (ev): -39.7438 -39.7438 -39.7438 -39.7438 -18.7476 -18.7476 -18.7468 -18.7468 -18.2827 -18.2827 -18.2784 -18.2784 -18.1752 -18.1752 -18.1716 -18.1716 1.7521 1.7521 1.7539 1.7539 5.2666 5.2666 5.2948 5.2948 5.8528 5.8528 5.8819 5.8819 9.7143 9.7143 9.7226 9.7226 10.1670 10.1670 10.1708 10.1708 10.2756 10.2756 10.3170 10.3170 10.5560 10.5560 k = 0.5000-0.2887 0.4082 ( 4264 PWs) bands (ev): -39.7438 -39.7438 -39.7438 -39.7438 -18.7472 -18.7472 -18.7472 -18.7472 -18.2806 -18.2806 -18.2806 -18.2806 -18.1734 -18.1734 -18.1734 -18.1734 1.7525 1.7525 1.7525 1.7525 5.2942 5.2942 5.2943 5.2943 5.8513 5.8513 5.8513 5.8513 9.7258 9.7258 9.7258 9.7258 10.1668 10.1668 10.1668 10.1668 10.3160 10.3160 10.3160 10.3160 10.5442 10.5442 Writing output data file ScAl2.save init_run : 0.33s CPU 0.45s WALL ( 1 calls) electrons : 240.10s CPU 243.08s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 240.10s CPU 243.08s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.10s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.05s WALL ( 284 calls) cegterg : 224.68s CPU 227.25s WALL ( 881 calls) Called by sum_band: Called by *egterg: h_psi : 127.94s CPU 130.06s WALL ( 15906 calls) s_psi : 9.82s CPU 9.90s WALL ( 15906 calls) g_psi : 0.33s CPU 0.30s WALL ( 14741 calls) cdiaghg : 78.67s CPU 79.42s WALL ( 15025 calls) cegterg:over : 6.85s CPU 6.74s WALL ( 14741 calls) cegterg:upda : 7.41s CPU 7.41s WALL ( 14741 calls) cegterg:last : 2.54s CPU 2.54s WALL ( 1795 calls) cdiaghg:chol : 4.54s CPU 4.46s WALL ( 15025 calls) cdiaghg:inve : 2.56s CPU 2.55s WALL ( 15025 calls) cdiaghg:para : 4.41s CPU 4.40s WALL ( 30050 calls) Called by h_psi: h_psi:vloc : 106.21s CPU 108.05s WALL ( 15906 calls) h_psi:vnl : 21.45s CPU 21.72s WALL ( 15906 calls) add_vuspsi : 11.69s CPU 11.82s WALL ( 15906 calls) General routines calbec : 9.71s CPU 9.86s WALL ( 15906 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 98.76s CPU 100.61s WALL ( 951208 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.17s CPU 0.16s WALL ( 568 calls) Parallel routines fft_scatter : 32.06s CPU 32.65s WALL ( 951231 calls) PWSCF : 4m11.94s CPU 4m22.63s WALL This run was terminated on: 18:35:40 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=