Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:14: 6 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: ./Fe3Si.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 25 20 5 521 353 56 Max 26 21 6 527 366 61 Sum 931 733 211 18907 12939 2109 bravais-lattice index = 14 lattice parameter (alat) = 7.5564 a.u. unit-cell volume = 305.0945 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 238.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.556426 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 Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Fe 8.00 55.84500 Fe( 1.00) Si 4.00 28.08550 Si( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 372 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 2) = ( 0.0089286 -0.0051549 0.0072901), wk = 0.0026882 k( 3) = ( 0.0178571 -0.0103098 0.0145803), wk = 0.0026882 k( 4) = ( 0.0267857 -0.0154647 0.0218704), wk = 0.0026882 k( 5) = ( 0.0357143 -0.0206197 0.0291606), wk = 0.0026882 k( 6) = ( 0.0446429 -0.0257746 0.0364507), wk = 0.0026882 k( 7) = ( 0.0535714 -0.0309295 0.0437409), wk = 0.0026882 k( 8) = ( 0.0625000 -0.0360844 0.0510310), wk = 0.0026882 k( 9) = ( 0.0714286 -0.0412393 0.0583212), wk = 0.0026882 k( 10) = ( 0.0803571 -0.0463942 0.0656113), wk = 0.0026882 k( 11) = ( 0.0892857 -0.0515491 0.0729015), wk = 0.0026882 k( 12) = ( 0.0982143 -0.0567040 0.0801916), wk = 0.0026882 k( 13) = ( 0.1071429 -0.0618590 0.0874818), wk = 0.0026882 k( 14) = ( 0.1160714 -0.0670139 0.0947719), wk = 0.0026882 k( 15) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0026882 k( 16) = ( 0.1339286 -0.0773237 0.1093522), wk = 0.0026882 k( 17) = ( 0.1428571 -0.0824786 0.1166424), wk = 0.0026882 k( 18) = ( 0.1517857 -0.0876335 0.1239325), wk = 0.0026882 k( 19) = ( 0.1607143 -0.0927884 0.1312227), wk = 0.0026882 k( 20) = ( 0.1696429 -0.0979434 0.1385128), wk = 0.0026882 k( 21) = ( 0.1785714 -0.1030983 0.1458030), wk = 0.0026882 k( 22) = ( 0.1875000 -0.1082532 0.1530931), wk = 0.0026882 k( 23) = ( 0.1964286 -0.1134081 0.1603833), wk = 0.0026882 k( 24) = ( 0.2053571 -0.1185630 0.1676734), wk = 0.0026882 k( 25) = ( 0.2142857 -0.1237179 0.1749635), wk = 0.0026882 k( 26) = ( 0.2232143 -0.1288728 0.1822537), wk = 0.0026882 k( 27) = ( 0.2321429 -0.1340277 0.1895439), wk = 0.0026882 k( 28) = ( 0.2410714 -0.1391827 0.1968340), wk = 0.0026882 k( 29) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0026882 k( 30) = ( 0.2589286 -0.1494925 0.2114143), wk = 0.0026882 k( 31) = ( 0.2678571 -0.1546474 0.2187044), wk = 0.0026882 k( 32) = ( 0.2767857 -0.1598023 0.2259946), wk = 0.0026882 k( 33) = ( 0.2857143 -0.1649572 0.2332847), wk = 0.0026882 k( 34) = ( 0.2946429 -0.1701121 0.2405749), wk = 0.0026882 k( 35) = ( 0.3035714 -0.1752670 0.2478650), wk = 0.0026882 k( 36) = ( 0.3125000 -0.1804220 0.2551552), wk = 0.0026882 k( 37) = ( 0.3214286 -0.1855769 0.2624453), wk = 0.0026882 k( 38) = ( 0.3303571 -0.1907318 0.2697355), wk = 0.0026882 k( 39) = ( 0.3392857 -0.1958867 0.2770256), wk = 0.0026882 k( 40) = ( 0.3482143 -0.2010416 0.2843158), wk = 0.0026882 k( 41) = ( 0.3571429 -0.2061965 0.2916059), wk = 0.0026882 k( 42) = ( 0.3660714 -0.2113514 0.2988961), wk = 0.0026882 k( 43) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0026882 k( 44) = ( 0.3839286 -0.2216613 0.3134764), wk = 0.0026882 k( 45) = ( 0.3928571 -0.2268162 0.3207665), wk = 0.0026882 k( 46) = ( 0.4017857 -0.2319711 0.3280567), wk = 0.0026882 k( 47) = ( 0.4107143 -0.2371260 0.3353468), wk = 0.0026882 k( 48) = ( 0.4196429 -0.2422809 0.3426370), wk = 0.0026882 k( 49) = ( 0.4285714 -0.2474358 0.3499271), wk = 0.0026882 k( 50) = ( 0.4375000 -0.2525907 0.3572173), wk = 0.0026882 k( 51) = ( 0.4464286 -0.2577457 0.3645074), wk = 0.0026882 k( 52) = ( 0.4553571 -0.2629006 0.3717975), wk = 0.0026882 k( 53) = ( 0.4642857 -0.2680555 0.3790877), wk = 0.0026882 k( 54) = ( 0.4732143 -0.2732104 0.3863778), wk = 0.0026882 k( 55) = ( 0.4821429 -0.2783653 0.3936680), wk = 0.0026882 k( 56) = ( 0.4910714 -0.2835202 0.4009581), wk = 0.0026882 k( 57) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0026882 k( 58) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0026882 k( 59) = ( 0.5000000 -0.2783653 0.4155384), wk = 0.0026882 k( 60) = ( 0.5000000 -0.2680555 0.4228286), wk = 0.0026882 k( 61) = ( 0.5000000 -0.2577457 0.4301187), wk = 0.0026882 k( 62) = ( 0.5000000 -0.2474358 0.4374089), wk = 0.0026882 k( 63) = ( 0.5000000 -0.2371260 0.4446990), wk = 0.0026882 k( 64) = ( 0.5000000 -0.2268162 0.4519892), wk = 0.0026882 k( 65) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0026882 k( 66) = ( 0.5000000 -0.2061965 0.4665695), wk = 0.0026882 k( 67) = ( 0.5000000 -0.1958867 0.4738596), wk = 0.0026882 k( 68) = ( 0.5000000 -0.1855769 0.4811498), wk = 0.0026882 k( 69) = ( 0.5000000 -0.1752670 0.4884399), wk = 0.0026882 k( 70) = ( 0.5000000 -0.1649572 0.4957301), wk = 0.0026882 k( 71) = ( 0.5000000 -0.1546474 0.5030202), wk = 0.0026882 k( 72) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0026882 k( 73) = ( 0.5000000 -0.1340277 0.5176005), wk = 0.0026882 k( 74) = ( 0.5000000 -0.1237179 0.5248907), wk = 0.0026882 k( 75) = ( 0.5000000 -0.1134081 0.5321808), wk = 0.0026882 k( 76) = ( 0.5000000 -0.1030983 0.5394710), wk = 0.0026882 k( 77) = ( 0.5000000 -0.0927884 0.5467611), wk = 0.0026882 k( 78) = ( 0.5000000 -0.0824786 0.5540513), wk = 0.0026882 k( 79) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0026882 k( 80) = ( 0.5000000 -0.0618590 0.5686315), wk = 0.0026882 k( 81) = ( 0.5000000 -0.0515491 0.5759217), wk = 0.0026882 k( 82) = ( 0.5000000 -0.0412393 0.5832118), wk = 0.0026882 k( 83) = ( 0.5000000 -0.0309295 0.5905020), wk = 0.0026882 k( 84) = ( 0.5000000 -0.0206196 0.5977921), wk = 0.0026882 k( 85) = ( 0.5000000 -0.0103098 0.6050823), wk = 0.0026882 k( 86) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0026882 k( 87) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0026882 k( 88) = ( 0.4937500 0.0108253 0.6123724), wk = 0.0026882 k( 89) = ( 0.4875000 0.0216506 0.6123724), wk = 0.0026882 k( 90) = ( 0.4812500 0.0324760 0.6123724), wk = 0.0026882 k( 91) = ( 0.4750000 0.0433013 0.6123724), wk = 0.0026882 k( 92) = ( 0.4687500 0.0541266 0.6123724), wk = 0.0026882 k( 93) = ( 0.4625000 0.0649519 0.6123724), wk = 0.0026882 k( 94) = ( 0.4562500 0.0757772 0.6123724), wk = 0.0026882 k( 95) = ( 0.4500000 0.0866025 0.6123724), wk = 0.0026882 k( 96) = ( 0.4437500 0.0974279 0.6123724), wk = 0.0026882 k( 97) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0026882 k( 98) = ( 0.4312500 0.1190785 0.6123724), wk = 0.0026882 k( 99) = ( 0.4250000 0.1299038 0.6123724), wk = 0.0026882 k( 100) = ( 0.4187500 0.1407291 0.6123724), wk = 0.0026882 k( 101) = ( 0.4125000 0.1515544 0.6123724), wk = 0.0026882 k( 102) = ( 0.4062500 0.1623798 0.6123724), wk = 0.0026882 k( 103) = ( 0.4000000 0.1732051 0.6123724), wk = 0.0026882 k( 104) = ( 0.3937500 0.1840304 0.6123724), wk = 0.0026882 k( 105) = ( 0.3875000 0.1948557 0.6123724), wk = 0.0026882 k( 106) = ( 0.3812500 0.2056810 0.6123724), wk = 0.0026882 k( 107) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0026882 k( 108) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0026882 k( 109) = ( 0.3686441 0.2128368 0.6019932), wk = 0.0026882 k( 110) = ( 0.3622881 0.2091672 0.5916140), wk = 0.0026882 k( 111) = ( 0.3559322 0.2054976 0.5812349), wk = 0.0026882 k( 112) = ( 0.3495763 0.2018280 0.5708557), wk = 0.0026882 k( 113) = ( 0.3432203 0.1981584 0.5604765), wk = 0.0026882 k( 114) = ( 0.3368644 0.1944888 0.5500973), wk = 0.0026882 k( 115) = ( 0.3305085 0.1908192 0.5397181), wk = 0.0026882 k( 116) = ( 0.3241525 0.1871496 0.5293389), wk = 0.0026882 k( 117) = ( 0.3177966 0.1834800 0.5189597), wk = 0.0026882 k( 118) = ( 0.3114407 0.1798104 0.5085805), wk = 0.0026882 k( 119) = ( 0.3050848 0.1761408 0.4982013), wk = 0.0026882 k( 120) = ( 0.2987288 0.1724712 0.4878221), wk = 0.0026882 k( 121) = ( 0.2923729 0.1688016 0.4774429), wk = 0.0026882 k( 122) = ( 0.2860169 0.1651320 0.4670637), wk = 0.0026882 k( 123) = ( 0.2796610 0.1614624 0.4566845), wk = 0.0026882 k( 124) = ( 0.2733051 0.1577928 0.4463053), wk = 0.0026882 k( 125) = ( 0.2669492 0.1541232 0.4359261), wk = 0.0026882 k( 126) = ( 0.2605932 0.1504536 0.4255469), wk = 0.0026882 k( 127) = ( 0.2542373 0.1467840 0.4151678), wk = 0.0026882 k( 128) = ( 0.2478814 0.1431144 0.4047886), wk = 0.0026882 k( 129) = ( 0.2415254 0.1394448 0.3944094), wk = 0.0026882 k( 130) = ( 0.2351695 0.1357752 0.3840302), wk = 0.0026882 k( 131) = ( 0.2288136 0.1321056 0.3736510), wk = 0.0026882 k( 132) = ( 0.2224576 0.1284360 0.3632718), wk = 0.0026882 k( 133) = ( 0.2161017 0.1247664 0.3528926), wk = 0.0026882 k( 134) = ( 0.2097458 0.1210968 0.3425134), wk = 0.0026882 k( 135) = ( 0.2033898 0.1174272 0.3321342), wk = 0.0026882 k( 136) = ( 0.1970339 0.1137576 0.3217550), wk = 0.0026882 k( 137) = ( 0.1906780 0.1100880 0.3113758), wk = 0.0026882 k( 138) = ( 0.1843220 0.1064184 0.3009966), wk = 0.0026882 k( 139) = ( 0.1779661 0.1027488 0.2906174), wk = 0.0026882 k( 140) = ( 0.1716102 0.0990792 0.2802382), wk = 0.0026882 k( 141) = ( 0.1652542 0.0954096 0.2698590), wk = 0.0026882 k( 142) = ( 0.1588983 0.0917400 0.2594798), wk = 0.0026882 k( 143) = ( 0.1525424 0.0880704 0.2491007), wk = 0.0026882 k( 144) = ( 0.1461864 0.0844008 0.2387215), wk = 0.0026882 k( 145) = ( 0.1398305 0.0807312 0.2283423), wk = 0.0026882 k( 146) = ( 0.1334746 0.0770616 0.2179631), wk = 0.0026882 k( 147) = ( 0.1271186 0.0733920 0.2075839), wk = 0.0026882 k( 148) = ( 0.1207627 0.0697224 0.1972047), wk = 0.0026882 k( 149) = ( 0.1144068 0.0660528 0.1868255), wk = 0.0026882 k( 150) = ( 0.1080509 0.0623832 0.1764463), wk = 0.0026882 k( 151) = ( 0.1016949 0.0587136 0.1660671), wk = 0.0026882 k( 152) = ( 0.0953390 0.0550440 0.1556879), wk = 0.0026882 k( 153) = ( 0.0889830 0.0513744 0.1453087), wk = 0.0026882 k( 154) = ( 0.0826271 0.0477048 0.1349295), wk = 0.0026882 k( 155) = ( 0.0762712 0.0440352 0.1245503), wk = 0.0026882 k( 156) = ( 0.0699152 0.0403656 0.1141711), wk = 0.0026882 k( 157) = ( 0.0635593 0.0366960 0.1037919), wk = 0.0026882 k( 158) = ( 0.0572034 0.0330264 0.0934127), wk = 0.0026882 k( 159) = ( 0.0508475 0.0293568 0.0830336), wk = 0.0026882 k( 160) = ( 0.0444915 0.0256872 0.0726544), wk = 0.0026882 k( 161) = ( 0.0381356 0.0220176 0.0622752), wk = 0.0026882 k( 162) = ( 0.0317797 0.0183480 0.0518960), wk = 0.0026882 k( 163) = ( 0.0254237 0.0146784 0.0415168), wk = 0.0026882 k( 164) = ( 0.0190678 0.0110088 0.0311376), wk = 0.0026882 k( 165) = ( 0.0127119 0.0073392 0.0207584), wk = 0.0026882 k( 166) = ( 0.0063559 0.0036696 0.0103792), wk = 0.0026882 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 169) = ( 0.0102041 0.0058913 0.0041658), wk = 0.0026882 k( 170) = ( 0.0204082 0.0117827 0.0083316), wk = 0.0026882 k( 171) = ( 0.0306122 0.0176740 0.0124974), wk = 0.0026882 k( 172) = ( 0.0408163 0.0235653 0.0166632), wk = 0.0026882 k( 173) = ( 0.0510204 0.0294566 0.0208290), wk = 0.0026882 k( 174) = ( 0.0612245 0.0353480 0.0249948), wk = 0.0026882 k( 175) = ( 0.0714286 0.0412393 0.0291606), wk = 0.0026882 k( 176) = ( 0.0816327 0.0471306 0.0333264), wk = 0.0026882 k( 177) = ( 0.0918367 0.0530220 0.0374922), wk = 0.0026882 k( 178) = ( 0.1020408 0.0589133 0.0416580), wk = 0.0026882 k( 179) = ( 0.1122449 0.0648046 0.0458238), wk = 0.0026882 k( 180) = ( 0.1224490 0.0706960 0.0499896), wk = 0.0026882 k( 181) = ( 0.1326531 0.0765873 0.0541554), wk = 0.0026882 k( 182) = ( 0.1428571 0.0824786 0.0583212), wk = 0.0026882 k( 183) = ( 0.1530612 0.0883699 0.0624870), wk = 0.0026882 k( 184) = ( 0.1632653 0.0942613 0.0666528), wk = 0.0026882 k( 185) = ( 0.1734694 0.1001526 0.0708186), wk = 0.0026882 k( 186) = ( 0.1836735 0.1060439 0.0749844), wk = 0.0026882 k( 187) = ( 0.1938776 0.1119353 0.0791502), wk = 0.0026882 k( 188) = ( 0.2040816 0.1178266 0.0833160), wk = 0.0026882 k( 189) = ( 0.2142857 0.1237179 0.0874818), wk = 0.0026882 k( 190) = ( 0.2244898 0.1296092 0.0916476), wk = 0.0026882 k( 191) = ( 0.2346939 0.1355006 0.0958134), wk = 0.0026882 k( 192) = ( 0.2448980 0.1413919 0.0999792), wk = 0.0026882 k( 193) = ( 0.2551020 0.1472832 0.1041450), wk = 0.0026882 k( 194) = ( 0.2653061 0.1531746 0.1083108), wk = 0.0026882 k( 195) = ( 0.2755102 0.1590659 0.1124766), wk = 0.0026882 k( 196) = ( 0.2857143 0.1649572 0.1166424), wk = 0.0026882 k( 197) = ( 0.2959184 0.1708486 0.1208082), wk = 0.0026882 k( 198) = ( 0.3061224 0.1767399 0.1249740), wk = 0.0026882 k( 199) = ( 0.3163265 0.1826312 0.1291398), wk = 0.0026882 k( 200) = ( 0.3265306 0.1885225 0.1333056), wk = 0.0026882 k( 201) = ( 0.3367347 0.1944139 0.1374714), wk = 0.0026882 k( 202) = ( 0.3469388 0.2003052 0.1416372), wk = 0.0026882 k( 203) = ( 0.3571429 0.2061965 0.1458030), wk = 0.0026882 k( 204) = ( 0.3673469 0.2120879 0.1499688), wk = 0.0026882 k( 205) = ( 0.3775510 0.2179792 0.1541346), wk = 0.0026882 k( 206) = ( 0.3877551 0.2238705 0.1583004), wk = 0.0026882 k( 207) = ( 0.3979592 0.2297618 0.1624662), wk = 0.0026882 k( 208) = ( 0.4081633 0.2356532 0.1666320), wk = 0.0026882 k( 209) = ( 0.4183674 0.2415445 0.1707978), wk = 0.0026882 k( 210) = ( 0.4285714 0.2474358 0.1749636), wk = 0.0026882 k( 211) = ( 0.4387755 0.2533272 0.1791294), wk = 0.0026882 k( 212) = ( 0.4489796 0.2592185 0.1832952), wk = 0.0026882 k( 213) = ( 0.4591837 0.2651098 0.1874609), wk = 0.0026882 k( 214) = ( 0.4693878 0.2710011 0.1916268), wk = 0.0026882 k( 215) = ( 0.4795918 0.2768925 0.1957925), wk = 0.0026882 k( 216) = ( 0.4897959 0.2827838 0.1999583), wk = 0.0026882 k( 217) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0026882 k( 218) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0026882 k( 219) = ( 0.5035714 0.2783653 0.2099563), wk = 0.0026882 k( 220) = ( 0.5071429 0.2680555 0.2157884), wk = 0.0026882 k( 221) = ( 0.5107143 0.2577457 0.2216205), wk = 0.0026882 k( 222) = ( 0.5142857 0.2474358 0.2274526), wk = 0.0026882 k( 223) = ( 0.5178571 0.2371260 0.2332847), wk = 0.0026882 k( 224) = ( 0.5214286 0.2268162 0.2391169), wk = 0.0026882 k( 225) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0026882 k( 226) = ( 0.5285714 0.2061965 0.2507811), wk = 0.0026882 k( 227) = ( 0.5321429 0.1958867 0.2566132), wk = 0.0026882 k( 228) = ( 0.5357143 0.1855769 0.2624453), wk = 0.0026882 k( 229) = ( 0.5392857 0.1752670 0.2682774), wk = 0.0026882 k( 230) = ( 0.5428571 0.1649572 0.2741096), wk = 0.0026882 k( 231) = ( 0.5464286 0.1546474 0.2799417), wk = 0.0026882 k( 232) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0026882 k( 233) = ( 0.5535714 0.1340277 0.2916059), wk = 0.0026882 k( 234) = ( 0.5571429 0.1237179 0.2974380), wk = 0.0026882 k( 235) = ( 0.5607143 0.1134081 0.3032702), wk = 0.0026882 k( 236) = ( 0.5642857 0.1030983 0.3091023), wk = 0.0026882 k( 237) = ( 0.5678571 0.0927884 0.3149344), wk = 0.0026882 k( 238) = ( 0.5714286 0.0824786 0.3207665), wk = 0.0026882 k( 239) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0026882 k( 240) = ( 0.5785714 0.0618590 0.3324308), wk = 0.0026882 k( 241) = ( 0.5821429 0.0515491 0.3382629), wk = 0.0026882 k( 242) = ( 0.5857143 0.0412393 0.3440950), wk = 0.0026882 k( 243) = ( 0.5892857 0.0309295 0.3499271), wk = 0.0026882 k( 244) = ( 0.5928571 0.0206196 0.3557592), wk = 0.0026882 k( 245) = ( 0.5964286 0.0103098 0.3615913), wk = 0.0026882 k( 246) = ( 0.6000000 -0.0000000 0.3674235), wk = 0.0026882 k( 247) = ( 0.6035714 -0.0103098 0.3732556), wk = 0.0026882 k( 248) = ( 0.6071429 -0.0206196 0.3790877), wk = 0.0026882 k( 249) = ( 0.6107143 -0.0309295 0.3849198), wk = 0.0026882 k( 250) = ( 0.6142857 -0.0412393 0.3907519), wk = 0.0026882 k( 251) = ( 0.6178571 -0.0515491 0.3965841), wk = 0.0026882 k( 252) = ( 0.6214286 -0.0618590 0.4024162), wk = 0.0026882 k( 253) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0026882 k( 254) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0026882 k( 255) = ( 0.6187500 -0.0685603 0.4184545), wk = 0.0026882 k( 256) = ( 0.6125000 -0.0649519 0.4286607), wk = 0.0026882 k( 257) = ( 0.6062500 -0.0613435 0.4388669), wk = 0.0026882 k( 258) = ( 0.6000000 -0.0577350 0.4490731), wk = 0.0026882 k( 259) = ( 0.5937500 -0.0541266 0.4592793), wk = 0.0026882 k( 260) = ( 0.5875000 -0.0505181 0.4694855), wk = 0.0026882 k( 261) = ( 0.5812500 -0.0469097 0.4796917), wk = 0.0026882 k( 262) = ( 0.5750000 -0.0433013 0.4898979), wk = 0.0026882 k( 263) = ( 0.5687500 -0.0396928 0.5001042), wk = 0.0026882 k( 264) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0026882 k( 265) = ( 0.5562500 -0.0324760 0.5205166), wk = 0.0026882 k( 266) = ( 0.5500000 -0.0288675 0.5307228), wk = 0.0026882 k( 267) = ( 0.5437500 -0.0252591 0.5409290), wk = 0.0026882 k( 268) = ( 0.5375000 -0.0216506 0.5511352), wk = 0.0026882 k( 269) = ( 0.5312500 -0.0180422 0.5613414), wk = 0.0026882 k( 270) = ( 0.5250000 -0.0144338 0.5715476), wk = 0.0026882 k( 271) = ( 0.5187500 -0.0108253 0.5817538), wk = 0.0026882 k( 272) = ( 0.5125000 -0.0072169 0.5919600), wk = 0.0026882 k( 273) = ( 0.5062500 -0.0036084 0.6021662), wk = 0.0026882 k( 274) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0026882 k( 275) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0026882 k( 276) = ( 0.5000000 0.0072169 0.6021662), wk = 0.0026882 k( 277) = ( 0.5000000 0.0144338 0.5919600), wk = 0.0026882 k( 278) = ( 0.5000000 0.0216506 0.5817538), wk = 0.0026882 k( 279) = ( 0.5000000 0.0288675 0.5715476), wk = 0.0026882 k( 280) = ( 0.5000000 0.0360844 0.5613414), wk = 0.0026882 k( 281) = ( 0.5000000 0.0433013 0.5511352), wk = 0.0026882 k( 282) = ( 0.5000000 0.0505181 0.5409290), wk = 0.0026882 k( 283) = ( 0.5000000 0.0577350 0.5307228), wk = 0.0026882 k( 284) = ( 0.5000000 0.0649519 0.5205166), wk = 0.0026882 k( 285) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0026882 k( 286) = ( 0.5000000 0.0793857 0.5001042), wk = 0.0026882 k( 287) = ( 0.5000000 0.0866025 0.4898979), wk = 0.0026882 k( 288) = ( 0.5000000 0.0938194 0.4796917), wk = 0.0026882 k( 289) = ( 0.5000000 0.1010363 0.4694855), wk = 0.0026882 k( 290) = ( 0.5000000 0.1082532 0.4592793), wk = 0.0026882 k( 291) = ( 0.5000000 0.1154701 0.4490731), wk = 0.0026882 k( 292) = ( 0.5000000 0.1226869 0.4388669), wk = 0.0026882 k( 293) = ( 0.5000000 0.1299038 0.4286607), wk = 0.0026882 k( 294) = ( 0.5000000 0.1371207 0.4184545), wk = 0.0026882 k( 295) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0026882 k( 296) = ( 0.5000000 0.1515544 0.3980421), wk = 0.0026882 k( 297) = ( 0.5000000 0.1587713 0.3878359), wk = 0.0026882 k( 298) = ( 0.5000000 0.1659882 0.3776297), wk = 0.0026882 k( 299) = ( 0.5000000 0.1732051 0.3674235), wk = 0.0026882 k( 300) = ( 0.5000000 0.1804220 0.3572173), wk = 0.0026882 k( 301) = ( 0.5000000 0.1876388 0.3470110), wk = 0.0026882 k( 302) = ( 0.5000000 0.1948557 0.3368048), wk = 0.0026882 k( 303) = ( 0.5000000 0.2020726 0.3265986), wk = 0.0026882 k( 304) = ( 0.5000000 0.2092895 0.3163924), wk = 0.0026882 k( 305) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0026882 k( 306) = ( 0.5000000 0.2237232 0.2959800), wk = 0.0026882 k( 307) = ( 0.5000000 0.2309401 0.2857738), wk = 0.0026882 k( 308) = ( 0.5000000 0.2381570 0.2755676), wk = 0.0026882 k( 309) = ( 0.5000000 0.2453739 0.2653614), wk = 0.0026882 k( 310) = ( 0.5000000 0.2525907 0.2551552), wk = 0.0026882 k( 311) = ( 0.5000000 0.2598076 0.2449490), wk = 0.0026882 k( 312) = ( 0.5000000 0.2670245 0.2347428), wk = 0.0026882 k( 313) = ( 0.5000000 0.2742414 0.2245366), wk = 0.0026882 k( 314) = ( 0.5000000 0.2814583 0.2143304), wk = 0.0026882 k( 315) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0026882 k( 316) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0026882 k( 317) = ( 0.4964286 0.2866132 0.2157884), wk = 0.0026882 k( 318) = ( 0.4928571 0.2845512 0.2274526), wk = 0.0026882 k( 319) = ( 0.4892857 0.2824892 0.2391169), wk = 0.0026882 k( 320) = ( 0.4857143 0.2804273 0.2507811), wk = 0.0026882 k( 321) = ( 0.4821429 0.2783653 0.2624453), wk = 0.0026882 k( 322) = ( 0.4785714 0.2763033 0.2741096), wk = 0.0026882 k( 323) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0026882 k( 324) = ( 0.4714286 0.2721794 0.2974380), wk = 0.0026882 k( 325) = ( 0.4678571 0.2701174 0.3091023), wk = 0.0026882 k( 326) = ( 0.4642857 0.2680555 0.3207665), wk = 0.0026882 k( 327) = ( 0.4607143 0.2659935 0.3324307), wk = 0.0026882 k( 328) = ( 0.4571429 0.2639316 0.3440950), wk = 0.0026882 k( 329) = ( 0.4535714 0.2618696 0.3557592), wk = 0.0026882 k( 330) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0026882 k( 331) = ( 0.4464286 0.2577457 0.3790877), wk = 0.0026882 k( 332) = ( 0.4428571 0.2556837 0.3907519), wk = 0.0026882 k( 333) = ( 0.4392857 0.2536217 0.4024162), wk = 0.0026882 k( 334) = ( 0.4357143 0.2515598 0.4140804), wk = 0.0026882 k( 335) = ( 0.4321429 0.2494978 0.4257446), wk = 0.0026882 k( 336) = ( 0.4285714 0.2474358 0.4374089), wk = 0.0026882 k( 337) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0026882 k( 338) = ( 0.4214286 0.2433119 0.4607374), wk = 0.0026882 k( 339) = ( 0.4178571 0.2412499 0.4724016), wk = 0.0026882 k( 340) = ( 0.4142857 0.2391880 0.4840658), wk = 0.0026882 k( 341) = ( 0.4107143 0.2371260 0.4957301), wk = 0.0026882 k( 342) = ( 0.4071429 0.2350640 0.5073943), wk = 0.0026882 k( 343) = ( 0.4035714 0.2330021 0.5190585), wk = 0.0026882 k( 344) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0026882 k( 345) = ( 0.3964286 0.2288781 0.5423870), wk = 0.0026882 k( 346) = ( 0.3928571 0.2268162 0.5540512), wk = 0.0026882 k( 347) = ( 0.3892857 0.2247542 0.5657155), wk = 0.0026882 k( 348) = ( 0.3857143 0.2226922 0.5773797), wk = 0.0026882 k( 349) = ( 0.3821429 0.2206303 0.5890440), wk = 0.0026882 k( 350) = ( 0.3785714 0.2185683 0.6007082), wk = 0.0026882 k( 351) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0026882 k( 352) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0026882 k( 353) = ( 0.6187500 -0.0829941 0.4082483), wk = 0.0026882 k( 354) = ( 0.6125000 -0.0938194 0.4082483), wk = 0.0026882 k( 355) = ( 0.6062500 -0.1046447 0.4082483), wk = 0.0026882 k( 356) = ( 0.6000000 -0.1154701 0.4082483), wk = 0.0026882 k( 357) = ( 0.5937500 -0.1262954 0.4082483), wk = 0.0026882 k( 358) = ( 0.5875000 -0.1371207 0.4082483), wk = 0.0026882 k( 359) = ( 0.5812500 -0.1479460 0.4082483), wk = 0.0026882 k( 360) = ( 0.5750000 -0.1587713 0.4082483), wk = 0.0026882 k( 361) = ( 0.5687500 -0.1695966 0.4082483), wk = 0.0026882 k( 362) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0026882 k( 363) = ( 0.5562500 -0.1912473 0.4082483), wk = 0.0026882 k( 364) = ( 0.5500000 -0.2020726 0.4082483), wk = 0.0026882 k( 365) = ( 0.5437500 -0.2128979 0.4082483), wk = 0.0026882 k( 366) = ( 0.5375000 -0.2237232 0.4082483), wk = 0.0026882 k( 367) = ( 0.5312500 -0.2345485 0.4082483), wk = 0.0026882 k( 368) = ( 0.5250000 -0.2453739 0.4082483), wk = 0.0026882 k( 369) = ( 0.5187500 -0.2561992 0.4082483), wk = 0.0026882 k( 370) = ( 0.5125000 -0.2670245 0.4082483), wk = 0.0026882 k( 371) = ( 0.5062500 -0.2778498 0.4082483), wk = 0.0026882 k( 372) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0026882 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 2) = ( 0.0089286 0.0000000 0.0089286), wk = 0.0026882 k( 3) = ( 0.0178571 0.0000000 0.0178571), wk = 0.0026882 k( 4) = ( 0.0267857 -0.0000000 0.0267857), wk = 0.0026882 k( 5) = ( 0.0357143 0.0000000 0.0357143), wk = 0.0026882 k( 6) = ( 0.0446429 -0.0000000 0.0446429), wk = 0.0026882 k( 7) = ( 0.0535714 -0.0000000 0.0535714), wk = 0.0026882 k( 8) = ( 0.0625000 0.0000000 0.0625000), wk = 0.0026882 k( 9) = ( 0.0714286 0.0000000 0.0714286), wk = 0.0026882 k( 10) = ( 0.0803571 -0.0000000 0.0803571), wk = 0.0026882 k( 11) = ( 0.0892857 -0.0000000 0.0892857), wk = 0.0026882 k( 12) = ( 0.0982143 -0.0000000 0.0982143), wk = 0.0026882 k( 13) = ( 0.1071429 -0.0000000 0.1071429), wk = 0.0026882 k( 14) = ( 0.1160714 -0.0000000 0.1160714), wk = 0.0026882 k( 15) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0026882 k( 16) = ( 0.1339286 0.0000000 0.1339286), wk = 0.0026882 k( 17) = ( 0.1428571 0.0000000 0.1428571), wk = 0.0026882 k( 18) = ( 0.1517857 -0.0000000 0.1517857), wk = 0.0026882 k( 19) = ( 0.1607143 -0.0000000 0.1607143), wk = 0.0026882 k( 20) = ( 0.1696429 -0.0000000 0.1696429), wk = 0.0026882 k( 21) = ( 0.1785714 -0.0000000 0.1785714), wk = 0.0026882 k( 22) = ( 0.1875000 -0.0000000 0.1875000), wk = 0.0026882 k( 23) = ( 0.1964286 -0.0000000 0.1964286), wk = 0.0026882 k( 24) = ( 0.2053571 -0.0000000 0.2053571), wk = 0.0026882 k( 25) = ( 0.2142857 -0.0000000 0.2142857), wk = 0.0026882 k( 26) = ( 0.2232143 -0.0000000 0.2232143), wk = 0.0026882 k( 27) = ( 0.2321429 -0.0000000 0.2321429), wk = 0.0026882 k( 28) = ( 0.2410714 -0.0000000 0.2410714), wk = 0.0026882 k( 29) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0026882 k( 30) = ( 0.2589286 0.0000000 0.2589286), wk = 0.0026882 k( 31) = ( 0.2678571 0.0000000 0.2678571), wk = 0.0026882 k( 32) = ( 0.2767857 0.0000000 0.2767857), wk = 0.0026882 k( 33) = ( 0.2857143 0.0000000 0.2857143), wk = 0.0026882 k( 34) = ( 0.2946429 -0.0000000 0.2946429), wk = 0.0026882 k( 35) = ( 0.3035714 0.0000000 0.3035714), wk = 0.0026882 k( 36) = ( 0.3125000 -0.0000000 0.3125000), wk = 0.0026882 k( 37) = ( 0.3214286 -0.0000000 0.3214286), wk = 0.0026882 k( 38) = ( 0.3303571 0.0000000 0.3303571), wk = 0.0026882 k( 39) = ( 0.3392857 -0.0000000 0.3392857), wk = 0.0026882 k( 40) = ( 0.3482143 -0.0000000 0.3482143), wk = 0.0026882 k( 41) = ( 0.3571429 -0.0000000 0.3571429), wk = 0.0026882 k( 42) = ( 0.3660714 -0.0000000 0.3660714), wk = 0.0026882 k( 43) = ( 0.3750000 -0.0000000 0.3750000), wk = 0.0026882 k( 44) = ( 0.3839286 -0.0000000 0.3839286), wk = 0.0026882 k( 45) = ( 0.3928571 -0.0000000 0.3928571), wk = 0.0026882 k( 46) = ( 0.4017857 -0.0000000 0.4017857), wk = 0.0026882 k( 47) = ( 0.4107143 -0.0000000 0.4107143), wk = 0.0026882 k( 48) = ( 0.4196429 -0.0000000 0.4196429), wk = 0.0026882 k( 49) = ( 0.4285714 -0.0000000 0.4285714), wk = 0.0026882 k( 50) = ( 0.4375000 -0.0000000 0.4375000), wk = 0.0026882 k( 51) = ( 0.4464286 -0.0000000 0.4464286), wk = 0.0026882 k( 52) = ( 0.4553571 -0.0000000 0.4553571), wk = 0.0026882 k( 53) = ( 0.4642857 -0.0000000 0.4642857), wk = 0.0026882 k( 54) = ( 0.4732143 0.0000000 0.4732143), wk = 0.0026882 k( 55) = ( 0.4821429 -0.0000000 0.4821429), wk = 0.0026882 k( 56) = ( 0.4910714 -0.0000000 0.4910714), wk = 0.0026882 k( 57) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026882 k( 58) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026882 k( 59) = ( 0.5000000 0.0089286 0.5089286), wk = 0.0026882 k( 60) = ( 0.5000000 0.0178571 0.5178571), wk = 0.0026882 k( 61) = ( 0.5000000 0.0267857 0.5267857), wk = 0.0026882 k( 62) = ( 0.5000000 0.0357143 0.5357143), wk = 0.0026882 k( 63) = ( 0.5000000 0.0446429 0.5446429), wk = 0.0026882 k( 64) = ( 0.5000000 0.0535714 0.5535714), wk = 0.0026882 k( 65) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0026882 k( 66) = ( 0.5000000 0.0714286 0.5714286), wk = 0.0026882 k( 67) = ( 0.5000000 0.0803571 0.5803571), wk = 0.0026882 k( 68) = ( 0.5000000 0.0892857 0.5892857), wk = 0.0026882 k( 69) = ( 0.5000000 0.0982143 0.5982143), wk = 0.0026882 k( 70) = ( 0.5000000 0.1071429 0.6071429), wk = 0.0026882 k( 71) = ( 0.5000000 0.1160714 0.6160714), wk = 0.0026882 k( 72) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0026882 k( 73) = ( 0.5000000 0.1339286 0.6339286), wk = 0.0026882 k( 74) = ( 0.5000000 0.1428571 0.6428571), wk = 0.0026882 k( 75) = ( 0.5000000 0.1517857 0.6517857), wk = 0.0026882 k( 76) = ( 0.5000000 0.1607143 0.6607143), wk = 0.0026882 k( 77) = ( 0.5000000 0.1696429 0.6696429), wk = 0.0026882 k( 78) = ( 0.5000000 0.1785714 0.6785714), wk = 0.0026882 k( 79) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0026882 k( 80) = ( 0.5000000 0.1964286 0.6964286), wk = 0.0026882 k( 81) = ( 0.5000000 0.2053571 0.7053571), wk = 0.0026882 k( 82) = ( 0.5000000 0.2142857 0.7142857), wk = 0.0026882 k( 83) = ( 0.5000000 0.2232143 0.7232143), wk = 0.0026882 k( 84) = ( 0.5000000 0.2321429 0.7321429), wk = 0.0026882 k( 85) = ( 0.5000000 0.2410714 0.7410714), wk = 0.0026882 k( 86) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0026882 k( 87) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0026882 k( 88) = ( 0.4937500 0.2562500 0.7500000), wk = 0.0026882 k( 89) = ( 0.4875000 0.2625000 0.7500000), wk = 0.0026882 k( 90) = ( 0.4812500 0.2687500 0.7500000), wk = 0.0026882 k( 91) = ( 0.4750000 0.2750000 0.7500000), wk = 0.0026882 k( 92) = ( 0.4687500 0.2812500 0.7500000), wk = 0.0026882 k( 93) = ( 0.4625000 0.2875000 0.7500000), wk = 0.0026882 k( 94) = ( 0.4562500 0.2937500 0.7500000), wk = 0.0026882 k( 95) = ( 0.4500000 0.3000000 0.7500000), wk = 0.0026882 k( 96) = ( 0.4437500 0.3062500 0.7500000), wk = 0.0026882 k( 97) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0026882 k( 98) = ( 0.4312500 0.3187500 0.7500000), wk = 0.0026882 k( 99) = ( 0.4250000 0.3250000 0.7500000), wk = 0.0026882 k( 100) = ( 0.4187500 0.3312500 0.7500000), wk = 0.0026882 k( 101) = ( 0.4125000 0.3375000 0.7500000), wk = 0.0026882 k( 102) = ( 0.4062500 0.3437500 0.7500000), wk = 0.0026882 k( 103) = ( 0.4000000 0.3500000 0.7500000), wk = 0.0026882 k( 104) = ( 0.3937500 0.3562500 0.7500000), wk = 0.0026882 k( 105) = ( 0.3875000 0.3625000 0.7500000), wk = 0.0026882 k( 106) = ( 0.3812500 0.3687500 0.7500000), wk = 0.0026882 k( 107) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0026882 k( 108) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0026882 k( 109) = ( 0.3686441 0.3686441 0.7372881), wk = 0.0026882 k( 110) = ( 0.3622881 0.3622881 0.7245763), wk = 0.0026882 k( 111) = ( 0.3559322 0.3559322 0.7118644), wk = 0.0026882 k( 112) = ( 0.3495763 0.3495763 0.6991525), wk = 0.0026882 k( 113) = ( 0.3432203 0.3432203 0.6864407), wk = 0.0026882 k( 114) = ( 0.3368644 0.3368644 0.6737288), wk = 0.0026882 k( 115) = ( 0.3305085 0.3305085 0.6610170), wk = 0.0026882 k( 116) = ( 0.3241525 0.3241525 0.6483051), wk = 0.0026882 k( 117) = ( 0.3177966 0.3177966 0.6355932), wk = 0.0026882 k( 118) = ( 0.3114407 0.3114407 0.6228814), wk = 0.0026882 k( 119) = ( 0.3050848 0.3050848 0.6101695), wk = 0.0026882 k( 120) = ( 0.2987288 0.2987288 0.5974576), wk = 0.0026882 k( 121) = ( 0.2923729 0.2923729 0.5847458), wk = 0.0026882 k( 122) = ( 0.2860169 0.2860170 0.5720339), wk = 0.0026882 k( 123) = ( 0.2796610 0.2796610 0.5593220), wk = 0.0026882 k( 124) = ( 0.2733051 0.2733051 0.5466102), wk = 0.0026882 k( 125) = ( 0.2669492 0.2669492 0.5338983), wk = 0.0026882 k( 126) = ( 0.2605932 0.2605932 0.5211864), wk = 0.0026882 k( 127) = ( 0.2542373 0.2542373 0.5084746), wk = 0.0026882 k( 128) = ( 0.2478814 0.2478814 0.4957627), wk = 0.0026882 k( 129) = ( 0.2415254 0.2415254 0.4830509), wk = 0.0026882 k( 130) = ( 0.2351695 0.2351695 0.4703390), wk = 0.0026882 k( 131) = ( 0.2288136 0.2288136 0.4576271), wk = 0.0026882 k( 132) = ( 0.2224576 0.2224576 0.4449152), wk = 0.0026882 k( 133) = ( 0.2161017 0.2161017 0.4322034), wk = 0.0026882 k( 134) = ( 0.2097458 0.2097458 0.4194915), wk = 0.0026882 k( 135) = ( 0.2033898 0.2033898 0.4067797), wk = 0.0026882 k( 136) = ( 0.1970339 0.1970339 0.3940678), wk = 0.0026882 k( 137) = ( 0.1906780 0.1906780 0.3813559), wk = 0.0026882 k( 138) = ( 0.1843220 0.1843220 0.3686441), wk = 0.0026882 k( 139) = ( 0.1779661 0.1779661 0.3559322), wk = 0.0026882 k( 140) = ( 0.1716102 0.1716102 0.3432203), wk = 0.0026882 k( 141) = ( 0.1652542 0.1652542 0.3305085), wk = 0.0026882 k( 142) = ( 0.1588983 0.1588983 0.3177966), wk = 0.0026882 k( 143) = ( 0.1525424 0.1525424 0.3050848), wk = 0.0026882 k( 144) = ( 0.1461864 0.1461864 0.2923729), wk = 0.0026882 k( 145) = ( 0.1398305 0.1398305 0.2796610), wk = 0.0026882 k( 146) = ( 0.1334746 0.1334746 0.2669492), wk = 0.0026882 k( 147) = ( 0.1271186 0.1271186 0.2542373), wk = 0.0026882 k( 148) = ( 0.1207627 0.1207627 0.2415254), wk = 0.0026882 k( 149) = ( 0.1144068 0.1144068 0.2288136), wk = 0.0026882 k( 150) = ( 0.1080509 0.1080509 0.2161017), wk = 0.0026882 k( 151) = ( 0.1016949 0.1016949 0.2033898), wk = 0.0026882 k( 152) = ( 0.0953390 0.0953390 0.1906780), wk = 0.0026882 k( 153) = ( 0.0889830 0.0889831 0.1779661), wk = 0.0026882 k( 154) = ( 0.0826271 0.0826271 0.1652542), wk = 0.0026882 k( 155) = ( 0.0762712 0.0762712 0.1525424), wk = 0.0026882 k( 156) = ( 0.0699152 0.0699152 0.1398305), wk = 0.0026882 k( 157) = ( 0.0635593 0.0635593 0.1271186), wk = 0.0026882 k( 158) = ( 0.0572034 0.0572034 0.1144068), wk = 0.0026882 k( 159) = ( 0.0508475 0.0508475 0.1016949), wk = 0.0026882 k( 160) = ( 0.0444915 0.0444915 0.0889831), wk = 0.0026882 k( 161) = ( 0.0381356 0.0381356 0.0762712), wk = 0.0026882 k( 162) = ( 0.0317797 0.0317797 0.0635593), wk = 0.0026882 k( 163) = ( 0.0254237 0.0254237 0.0508475), wk = 0.0026882 k( 164) = ( 0.0190678 0.0190678 0.0381356), wk = 0.0026882 k( 165) = ( 0.0127119 0.0127119 0.0254237), wk = 0.0026882 k( 166) = ( 0.0063559 0.0063559 0.0127119), wk = 0.0026882 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026882 k( 169) = ( 0.0102041 0.0102041 0.0102041), wk = 0.0026882 k( 170) = ( 0.0204082 0.0204082 0.0204082), wk = 0.0026882 k( 171) = ( 0.0306122 0.0306122 0.0306122), wk = 0.0026882 k( 172) = ( 0.0408163 0.0408163 0.0408163), wk = 0.0026882 k( 173) = ( 0.0510204 0.0510204 0.0510204), wk = 0.0026882 k( 174) = ( 0.0612245 0.0612245 0.0612245), wk = 0.0026882 k( 175) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0026882 k( 176) = ( 0.0816327 0.0816327 0.0816327), wk = 0.0026882 k( 177) = ( 0.0918367 0.0918367 0.0918367), wk = 0.0026882 k( 178) = ( 0.1020408 0.1020408 0.1020408), wk = 0.0026882 k( 179) = ( 0.1122449 0.1122449 0.1122449), wk = 0.0026882 k( 180) = ( 0.1224490 0.1224490 0.1224490), wk = 0.0026882 k( 181) = ( 0.1326531 0.1326531 0.1326531), wk = 0.0026882 k( 182) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0026882 k( 183) = ( 0.1530612 0.1530612 0.1530612), wk = 0.0026882 k( 184) = ( 0.1632653 0.1632653 0.1632653), wk = 0.0026882 k( 185) = ( 0.1734694 0.1734694 0.1734694), wk = 0.0026882 k( 186) = ( 0.1836735 0.1836735 0.1836735), wk = 0.0026882 k( 187) = ( 0.1938776 0.1938776 0.1938776), wk = 0.0026882 k( 188) = ( 0.2040816 0.2040816 0.2040816), wk = 0.0026882 k( 189) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0026882 k( 190) = ( 0.2244898 0.2244898 0.2244898), wk = 0.0026882 k( 191) = ( 0.2346939 0.2346939 0.2346939), wk = 0.0026882 k( 192) = ( 0.2448980 0.2448980 0.2448980), wk = 0.0026882 k( 193) = ( 0.2551020 0.2551020 0.2551020), wk = 0.0026882 k( 194) = ( 0.2653061 0.2653061 0.2653061), wk = 0.0026882 k( 195) = ( 0.2755102 0.2755102 0.2755102), wk = 0.0026882 k( 196) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0026882 k( 197) = ( 0.2959184 0.2959184 0.2959184), wk = 0.0026882 k( 198) = ( 0.3061224 0.3061224 0.3061225), wk = 0.0026882 k( 199) = ( 0.3163265 0.3163265 0.3163265), wk = 0.0026882 k( 200) = ( 0.3265306 0.3265306 0.3265306), wk = 0.0026882 k( 201) = ( 0.3367347 0.3367347 0.3367347), wk = 0.0026882 k( 202) = ( 0.3469388 0.3469388 0.3469388), wk = 0.0026882 k( 203) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0026882 k( 204) = ( 0.3673469 0.3673469 0.3673469), wk = 0.0026882 k( 205) = ( 0.3775510 0.3775510 0.3775510), wk = 0.0026882 k( 206) = ( 0.3877551 0.3877551 0.3877551), wk = 0.0026882 k( 207) = ( 0.3979592 0.3979592 0.3979592), wk = 0.0026882 k( 208) = ( 0.4081633 0.4081633 0.4081633), wk = 0.0026882 k( 209) = ( 0.4183674 0.4183674 0.4183674), wk = 0.0026882 k( 210) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0026882 k( 211) = ( 0.4387755 0.4387755 0.4387755), wk = 0.0026882 k( 212) = ( 0.4489796 0.4489796 0.4489796), wk = 0.0026882 k( 213) = ( 0.4591837 0.4591837 0.4591837), wk = 0.0026882 k( 214) = ( 0.4693878 0.4693878 0.4693878), wk = 0.0026882 k( 215) = ( 0.4795918 0.4795918 0.4795918), wk = 0.0026882 k( 216) = ( 0.4897959 0.4897959 0.4897959), wk = 0.0026882 k( 217) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026882 k( 218) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026882 k( 219) = ( 0.5035714 0.4928571 0.5035714), wk = 0.0026882 k( 220) = ( 0.5071429 0.4857143 0.5071429), wk = 0.0026882 k( 221) = ( 0.5107143 0.4785714 0.5107143), wk = 0.0026882 k( 222) = ( 0.5142857 0.4714286 0.5142857), wk = 0.0026882 k( 223) = ( 0.5178571 0.4642857 0.5178571), wk = 0.0026882 k( 224) = ( 0.5214286 0.4571429 0.5214286), wk = 0.0026882 k( 225) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0026882 k( 226) = ( 0.5285714 0.4428571 0.5285714), wk = 0.0026882 k( 227) = ( 0.5321429 0.4357143 0.5321429), wk = 0.0026882 k( 228) = ( 0.5357143 0.4285714 0.5357143), wk = 0.0026882 k( 229) = ( 0.5392857 0.4214286 0.5392857), wk = 0.0026882 k( 230) = ( 0.5428571 0.4142857 0.5428571), wk = 0.0026882 k( 231) = ( 0.5464286 0.4071429 0.5464286), wk = 0.0026882 k( 232) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0026882 k( 233) = ( 0.5535714 0.3928571 0.5535714), wk = 0.0026882 k( 234) = ( 0.5571429 0.3857143 0.5571429), wk = 0.0026882 k( 235) = ( 0.5607143 0.3785714 0.5607143), wk = 0.0026882 k( 236) = ( 0.5642857 0.3714286 0.5642857), wk = 0.0026882 k( 237) = ( 0.5678571 0.3642857 0.5678571), wk = 0.0026882 k( 238) = ( 0.5714286 0.3571429 0.5714286), wk = 0.0026882 k( 239) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0026882 k( 240) = ( 0.5785714 0.3428571 0.5785714), wk = 0.0026882 k( 241) = ( 0.5821429 0.3357143 0.5821429), wk = 0.0026882 k( 242) = ( 0.5857143 0.3285714 0.5857143), wk = 0.0026882 k( 243) = ( 0.5892857 0.3214286 0.5892857), wk = 0.0026882 k( 244) = ( 0.5928571 0.3142857 0.5928571), wk = 0.0026882 k( 245) = ( 0.5964286 0.3071429 0.5964286), wk = 0.0026882 k( 246) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0026882 k( 247) = ( 0.6035714 0.2928571 0.6035714), wk = 0.0026882 k( 248) = ( 0.6071429 0.2857143 0.6071429), wk = 0.0026882 k( 249) = ( 0.6107143 0.2785714 0.6107143), wk = 0.0026882 k( 250) = ( 0.6142857 0.2714286 0.6142857), wk = 0.0026882 k( 251) = ( 0.6178571 0.2642857 0.6178571), wk = 0.0026882 k( 252) = ( 0.6214286 0.2571429 0.6214286), wk = 0.0026882 k( 253) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0026882 k( 254) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0026882 k( 255) = ( 0.6187500 0.2500000 0.6312500), wk = 0.0026882 k( 256) = ( 0.6125000 0.2500000 0.6375000), wk = 0.0026882 k( 257) = ( 0.6062500 0.2500000 0.6437500), wk = 0.0026882 k( 258) = ( 0.6000000 0.2500000 0.6500000), wk = 0.0026882 k( 259) = ( 0.5937500 0.2500000 0.6562500), wk = 0.0026882 k( 260) = ( 0.5875000 0.2500000 0.6625000), wk = 0.0026882 k( 261) = ( 0.5812500 0.2500000 0.6687500), wk = 0.0026882 k( 262) = ( 0.5750000 0.2500000 0.6750000), wk = 0.0026882 k( 263) = ( 0.5687500 0.2500000 0.6812500), wk = 0.0026882 k( 264) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0026882 k( 265) = ( 0.5562500 0.2500000 0.6937500), wk = 0.0026882 k( 266) = ( 0.5500000 0.2500000 0.7000000), wk = 0.0026882 k( 267) = ( 0.5437500 0.2500000 0.7062500), wk = 0.0026882 k( 268) = ( 0.5375000 0.2500000 0.7125000), wk = 0.0026882 k( 269) = ( 0.5312500 0.2500000 0.7187500), wk = 0.0026882 k( 270) = ( 0.5250000 0.2500000 0.7250000), wk = 0.0026882 k( 271) = ( 0.5187500 0.2500000 0.7312500), wk = 0.0026882 k( 272) = ( 0.5125000 0.2500000 0.7375000), wk = 0.0026882 k( 273) = ( 0.5062500 0.2500000 0.7437500), wk = 0.0026882 k( 274) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0026882 k( 275) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0026882 k( 276) = ( 0.5000000 0.2562500 0.7437500), wk = 0.0026882 k( 277) = ( 0.5000000 0.2625000 0.7375000), wk = 0.0026882 k( 278) = ( 0.5000000 0.2687500 0.7312500), wk = 0.0026882 k( 279) = ( 0.5000000 0.2750000 0.7250000), wk = 0.0026882 k( 280) = ( 0.5000000 0.2812500 0.7187500), wk = 0.0026882 k( 281) = ( 0.5000000 0.2875000 0.7125000), wk = 0.0026882 k( 282) = ( 0.5000000 0.2937500 0.7062500), wk = 0.0026882 k( 283) = ( 0.5000000 0.3000000 0.7000000), wk = 0.0026882 k( 284) = ( 0.5000000 0.3062500 0.6937500), wk = 0.0026882 k( 285) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0026882 k( 286) = ( 0.5000000 0.3187500 0.6812500), wk = 0.0026882 k( 287) = ( 0.5000000 0.3250000 0.6750000), wk = 0.0026882 k( 288) = ( 0.5000000 0.3312500 0.6687500), wk = 0.0026882 k( 289) = ( 0.5000000 0.3375000 0.6625000), wk = 0.0026882 k( 290) = ( 0.5000000 0.3437500 0.6562500), wk = 0.0026882 k( 291) = ( 0.5000000 0.3500000 0.6500000), wk = 0.0026882 k( 292) = ( 0.5000000 0.3562500 0.6437500), wk = 0.0026882 k( 293) = ( 0.5000000 0.3625000 0.6375000), wk = 0.0026882 k( 294) = ( 0.5000000 0.3687500 0.6312500), wk = 0.0026882 k( 295) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0026882 k( 296) = ( 0.5000000 0.3812500 0.6187500), wk = 0.0026882 k( 297) = ( 0.5000000 0.3875000 0.6125000), wk = 0.0026882 k( 298) = ( 0.5000000 0.3937500 0.6062500), wk = 0.0026882 k( 299) = ( 0.5000000 0.4000000 0.6000000), wk = 0.0026882 k( 300) = ( 0.5000000 0.4062500 0.5937500), wk = 0.0026882 k( 301) = ( 0.5000000 0.4125000 0.5875000), wk = 0.0026882 k( 302) = ( 0.5000000 0.4187500 0.5812500), wk = 0.0026882 k( 303) = ( 0.5000000 0.4250000 0.5750000), wk = 0.0026882 k( 304) = ( 0.5000000 0.4312500 0.5687500), wk = 0.0026882 k( 305) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0026882 k( 306) = ( 0.5000000 0.4437500 0.5562500), wk = 0.0026882 k( 307) = ( 0.5000000 0.4500000 0.5500000), wk = 0.0026882 k( 308) = ( 0.5000000 0.4562500 0.5437500), wk = 0.0026882 k( 309) = ( 0.5000000 0.4625000 0.5375000), wk = 0.0026882 k( 310) = ( 0.5000000 0.4687500 0.5312500), wk = 0.0026882 k( 311) = ( 0.5000000 0.4750000 0.5250000), wk = 0.0026882 k( 312) = ( 0.5000000 0.4812500 0.5187500), wk = 0.0026882 k( 313) = ( 0.5000000 0.4875000 0.5125000), wk = 0.0026882 k( 314) = ( 0.5000000 0.4937500 0.5062500), wk = 0.0026882 k( 315) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026882 k( 316) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026882 k( 317) = ( 0.4964286 0.4964286 0.5071429), wk = 0.0026882 k( 318) = ( 0.4928571 0.4928571 0.5142857), wk = 0.0026882 k( 319) = ( 0.4892857 0.4892857 0.5214286), wk = 0.0026882 k( 320) = ( 0.4857143 0.4857143 0.5285714), wk = 0.0026882 k( 321) = ( 0.4821429 0.4821429 0.5357143), wk = 0.0026882 k( 322) = ( 0.4785714 0.4785714 0.5428571), wk = 0.0026882 k( 323) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0026882 k( 324) = ( 0.4714286 0.4714286 0.5571429), wk = 0.0026882 k( 325) = ( 0.4678571 0.4678571 0.5642857), wk = 0.0026882 k( 326) = ( 0.4642857 0.4642857 0.5714286), wk = 0.0026882 k( 327) = ( 0.4607143 0.4607143 0.5785714), wk = 0.0026882 k( 328) = ( 0.4571429 0.4571429 0.5857143), wk = 0.0026882 k( 329) = ( 0.4535714 0.4535714 0.5928571), wk = 0.0026882 k( 330) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0026882 k( 331) = ( 0.4464286 0.4464286 0.6071429), wk = 0.0026882 k( 332) = ( 0.4428571 0.4428571 0.6142857), wk = 0.0026882 k( 333) = ( 0.4392857 0.4392857 0.6214286), wk = 0.0026882 k( 334) = ( 0.4357143 0.4357143 0.6285714), wk = 0.0026882 k( 335) = ( 0.4321429 0.4321429 0.6357143), wk = 0.0026882 k( 336) = ( 0.4285714 0.4285714 0.6428571), wk = 0.0026882 k( 337) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0026882 k( 338) = ( 0.4214286 0.4214286 0.6571429), wk = 0.0026882 k( 339) = ( 0.4178571 0.4178571 0.6642857), wk = 0.0026882 k( 340) = ( 0.4142857 0.4142857 0.6714286), wk = 0.0026882 k( 341) = ( 0.4107143 0.4107143 0.6785714), wk = 0.0026882 k( 342) = ( 0.4071429 0.4071429 0.6857143), wk = 0.0026882 k( 343) = ( 0.4035714 0.4035714 0.6928571), wk = 0.0026882 k( 344) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0026882 k( 345) = ( 0.3964286 0.3964286 0.7071429), wk = 0.0026882 k( 346) = ( 0.3928571 0.3928571 0.7142857), wk = 0.0026882 k( 347) = ( 0.3892857 0.3892857 0.7214286), wk = 0.0026882 k( 348) = ( 0.3857143 0.3857143 0.7285714), wk = 0.0026882 k( 349) = ( 0.3821429 0.3821429 0.7357143), wk = 0.0026882 k( 350) = ( 0.3785714 0.3785714 0.7428571), wk = 0.0026882 k( 351) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0026882 k( 352) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0026882 k( 353) = ( 0.6187500 0.2375000 0.6187500), wk = 0.0026882 k( 354) = ( 0.6125000 0.2250000 0.6125000), wk = 0.0026882 k( 355) = ( 0.6062500 0.2125000 0.6062500), wk = 0.0026882 k( 356) = ( 0.6000000 0.2000000 0.6000000), wk = 0.0026882 k( 357) = ( 0.5937500 0.1875000 0.5937500), wk = 0.0026882 k( 358) = ( 0.5875000 0.1750000 0.5875000), wk = 0.0026882 k( 359) = ( 0.5812500 0.1625000 0.5812500), wk = 0.0026882 k( 360) = ( 0.5750000 0.1500000 0.5750000), wk = 0.0026882 k( 361) = ( 0.5687500 0.1375000 0.5687500), wk = 0.0026882 k( 362) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0026882 k( 363) = ( 0.5562500 0.1125000 0.5562500), wk = 0.0026882 k( 364) = ( 0.5500000 0.1000000 0.5500000), wk = 0.0026882 k( 365) = ( 0.5437500 0.0875000 0.5437500), wk = 0.0026882 k( 366) = ( 0.5375000 0.0750000 0.5375000), wk = 0.0026882 k( 367) = ( 0.5312500 0.0625000 0.5312500), wk = 0.0026882 k( 368) = ( 0.5250000 0.0500000 0.5250000), wk = 0.0026882 k( 369) = ( 0.5187500 0.0375000 0.5187500), wk = 0.0026882 k( 370) = ( 0.5125000 0.0250000 0.5125000), wk = 0.0026882 k( 371) = ( 0.5062500 0.0125000 0.5062500), wk = 0.0026882 k( 372) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026882 Dense grid: 18907 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 12939 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 100, 36) NL pseudopotentials 0.10 Mb ( 50, 136) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.00 Mb ( 527) G-vector shells 0.00 Mb ( 182) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.22 Mb ( 100, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.15 Mb ( 136, 2, 36) The potential is recalculated from file : ./Fe3Si.save/charge-density.dat Starting wfc are 62 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 2.9 secs Computing kpt #: 3 total cpu time spent up to now is 3.3 secs Computing kpt #: 4 total cpu time spent up to now is 3.5 secs Computing kpt #: 5 total cpu time spent up to now is 3.8 secs Computing kpt #: 6 total cpu time spent up to now is 4.2 secs Computing kpt #: 7 total cpu time spent up to now is 4.5 secs Computing kpt #: 8 total cpu time spent up to now is 4.7 secs Computing kpt #: 9 total cpu time spent up to now is 4.9 secs Computing kpt #: 10 total cpu time spent up to now is 5.2 secs Computing kpt #: 11 total cpu time spent up to now is 5.6 secs Computing kpt #: 12 total cpu time spent up to now is 5.9 secs Computing kpt #: 13 total cpu time spent up to now is 6.1 secs Computing kpt #: 14 total cpu time spent up to now is 6.4 secs Computing kpt #: 15 total cpu time spent up to now is 6.6 secs Computing kpt #: 16 total cpu time spent up to now is 6.9 secs Computing kpt #: 17 total cpu time spent up to now is 7.1 secs Computing kpt #: 18 total cpu time spent up to now is 7.3 secs Computing kpt #: 19 total cpu time spent up to now is 7.6 secs Computing kpt #: 20 total cpu time spent up to now is 7.8 secs Computing kpt #: 21 total cpu time spent up to now is 8.1 secs Computing kpt #: 22 total cpu time spent up to now is 8.3 secs Computing kpt #: 23 total cpu time spent up to now is 8.5 secs Computing kpt #: 24 total cpu time spent up to now is 8.8 secs Computing kpt #: 25 total cpu time spent up to now is 9.0 secs Computing kpt #: 26 total cpu time spent up to now is 9.2 secs Computing kpt #: 27 total cpu time spent up to now is 9.5 secs Computing kpt #: 28 total cpu time spent up to now is 9.8 secs Computing kpt #: 29 total cpu time spent up to now is 10.0 secs Computing kpt #: 30 total cpu time spent up to now is 10.2 secs Computing kpt #: 31 total cpu time spent up to now is 10.5 secs Computing kpt #: 32 total cpu time spent up to now is 10.7 secs Computing kpt #: 33 total cpu time spent up to now is 10.9 secs Computing kpt #: 34 total cpu time spent up to now is 11.1 secs Computing kpt #: 35 total cpu time spent up to now is 11.3 secs Computing kpt #: 36 total cpu time spent up to now is 11.6 secs Computing kpt #: 37 total cpu time spent up to now is 11.8 secs Computing kpt #: 38 total cpu time spent up to now is 12.0 secs Computing kpt #: 39 total cpu time spent up to now is 12.2 secs Computing kpt #: 40 total cpu time spent up to now is 12.5 secs Computing kpt #: 41 total cpu time spent up to now is 12.7 secs Computing kpt #: 42 total cpu time spent up to now is 12.9 secs Computing kpt #: 43 total cpu time spent up to now is 13.1 secs Computing kpt #: 44 total cpu time spent up to now is 13.3 secs Computing kpt #: 45 total cpu time spent up to now is 13.6 secs Computing kpt #: 46 total cpu time spent up to now is 13.9 secs Computing kpt #: 47 total cpu time spent up to now is 14.1 secs Computing kpt #: 48 total cpu time spent up to now is 14.3 secs Computing kpt #: 49 total cpu time spent up to now is 14.7 secs Computing kpt #: 50 total cpu time spent up to now is 14.9 secs Computing kpt #: 51 total cpu time spent up to now is 15.1 secs Computing kpt #: 52 total cpu time spent up to now is 15.3 secs Computing kpt #: 53 total cpu time spent up to now is 15.5 secs Computing kpt #: 54 total cpu time spent up to now is 15.7 secs Computing kpt #: 55 total cpu time spent up to now is 15.9 secs Computing kpt #: 56 total cpu time spent up to now is 16.1 secs Computing kpt #: 57 total cpu time spent up to now is 16.3 secs Computing kpt #: 58 total cpu time spent up to now is 16.5 secs Computing kpt #: 59 total cpu time spent up to now is 16.7 secs Computing kpt #: 60 total cpu time spent up to now is 16.9 secs Computing kpt #: 61 total cpu time spent up to now is 17.1 secs Computing kpt #: 62 total cpu time spent up to now is 17.3 secs Computing kpt #: 63 total cpu time spent up to now is 17.5 secs 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total cpu time spent up to now is 34.4 secs Computing kpt #: 142 total cpu time spent up to now is 34.6 secs Computing kpt #: 143 total cpu time spent up to now is 34.8 secs Computing kpt #: 144 total cpu time spent up to now is 35.0 secs Computing kpt #: 145 total cpu time spent up to now is 35.2 secs Computing kpt #: 146 total cpu time spent up to now is 35.4 secs Computing kpt #: 147 total cpu time spent up to now is 35.6 secs Computing kpt #: 148 total cpu time spent up to now is 35.8 secs Computing kpt #: 149 total cpu time spent up to now is 36.0 secs Computing kpt #: 150 total cpu time spent up to now is 36.3 secs Computing kpt #: 151 total cpu time spent up to now is 36.5 secs Computing kpt #: 152 total cpu time spent up to now is 36.7 secs Computing kpt #: 153 total cpu time spent up to now is 36.9 secs Computing kpt #: 154 total cpu time spent up to now is 37.1 secs Computing kpt #: 155 total cpu time spent up to now is 37.4 secs Computing kpt #: 156 total cpu time spent up 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Computing kpt #: 172 total cpu time spent up to now is 43.0 secs Computing kpt #: 173 total cpu time spent up to now is 43.2 secs Computing kpt #: 174 total cpu time spent up to now is 43.7 secs Computing kpt #: 175 total cpu time spent up to now is 44.1 secs Computing kpt #: 176 total cpu time spent up to now is 44.3 secs Computing kpt #: 177 total cpu time spent up to now is 44.6 secs Computing kpt #: 178 total cpu time spent up to now is 45.3 secs Computing kpt #: 179 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 46.0 secs Computing kpt #: 180 total cpu time spent up to now is 46.7 secs Computing kpt #: 181 total cpu time spent up to now is 47.0 secs Computing kpt #: 182 total cpu time spent up to now is 47.3 secs Computing kpt #: 183 total cpu time spent up to now is 47.7 secs Computing kpt #: 184 total cpu time spent up to now is 47.9 secs Computing kpt #: 185 total cpu time spent up to now is 48.3 secs Computing kpt #: 186 total cpu time spent up to now is 48.6 secs Computing kpt #: 187 total cpu time spent up to now is 49.0 secs Computing kpt #: 188 total cpu time spent up to now is 49.5 secs Computing kpt #: 189 total cpu time spent up to now is 49.8 secs Computing kpt #: 190 total cpu time spent up to now is 50.2 secs Computing kpt #: 191 total cpu time spent up to now is 50.5 secs Computing kpt #: 192 total cpu time spent up to now is 51.0 secs Computing kpt #: 193 total cpu time spent up to now is 51.3 secs Computing kpt #: 194 total cpu time spent up to now is 51.7 secs Computing kpt #: 195 total cpu time spent up to now is 52.1 secs Computing kpt #: 196 total cpu time spent up to now is 52.4 secs Computing kpt #: 197 total cpu time spent up to now is 52.7 secs Computing kpt #: 198 total cpu time spent up to now is 53.0 secs Computing kpt #: 199 total cpu time spent up to now is 53.3 secs Computing kpt #: 200 total cpu time spent up to now is 53.6 secs Computing kpt #: 201 total cpu time spent up to now is 53.8 secs Computing kpt #: 202 total cpu time spent up to now is 54.1 secs Computing kpt #: 203 total cpu time spent up to now is 54.5 secs Computing kpt #: 204 total cpu time spent up to now is 54.7 secs Computing kpt #: 205 total cpu time spent up to now is 55.0 secs Computing kpt #: 206 total cpu time spent up to now is 55.2 secs Computing kpt #: 207 total cpu time spent up to now is 55.5 secs Computing kpt #: 208 total cpu time spent up to now is 55.7 secs Computing kpt #: 209 total cpu time spent up to now is 56.0 secs Computing kpt #: 210 total cpu time spent up to now is 56.3 secs Computing kpt #: 211 total cpu time spent up to now is 56.5 secs Computing kpt #: 212 total cpu time spent up to now is 56.8 secs Computing kpt #: 213 total cpu time spent up to now is 57.0 secs Computing kpt #: 214 total cpu time spent up to now is 57.3 secs Computing kpt #: 215 total cpu time spent up to now is 57.6 secs Computing kpt #: 216 total cpu time spent up to now is 57.8 secs Computing kpt #: 217 total cpu time 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secs Computing kpt #: 233 total cpu time spent up to now is 62.1 secs Computing kpt #: 234 total cpu time spent up to now is 62.3 secs Computing kpt #: 235 total cpu time spent up to now is 62.5 secs Computing kpt #: 236 total cpu time spent up to now is 62.7 secs Computing kpt #: 237 total cpu time spent up to now is 62.9 secs Computing kpt #: 238 total cpu time spent up to now is 63.1 secs Computing kpt #: 239 total cpu time spent up to now is 63.3 secs Computing kpt #: 240 total cpu time spent up to now is 63.4 secs Computing kpt #: 241 total cpu time spent up to now is 63.6 secs Computing kpt #: 242 total cpu time spent up to now is 63.8 secs Computing kpt #: 243 total cpu time spent up to now is 64.0 secs Computing kpt #: 244 total cpu time spent up to now is 64.2 secs Computing kpt #: 245 total cpu time spent up to now is 64.4 secs Computing kpt #: 246 total cpu time spent up to now is 64.5 secs Computing kpt #: 247 total cpu time spent up to now is 64.7 secs Computing kpt #: 248 total cpu time spent up to now is 64.9 secs Computing kpt #: 249 total cpu time spent up to now is 65.1 secs Computing kpt #: 250 total cpu time spent up to now is 65.3 secs Computing kpt #: 251 total cpu time spent up to now is 65.5 secs Computing kpt #: 252 total cpu time spent up to now is 65.7 secs Computing kpt #: 253 total cpu time spent up to now is 65.8 secs Computing kpt #: 254 total cpu time spent up to now is 66.0 secs Computing kpt #: 255 total cpu time spent up to now is 66.2 secs Computing kpt #: 256 total cpu time spent up to now is 66.5 secs Computing kpt #: 257 total cpu time spent up to now is 66.7 secs Computing kpt #: 258 total cpu time spent up to now is 67.0 secs Computing kpt #: 259 total cpu time spent up to now is 67.2 secs Computing kpt #: 260 total cpu time spent up to now is 67.5 secs Computing kpt #: 261 total cpu time spent up to now is 67.7 secs Computing kpt #: 262 total cpu time spent up to now is 68.0 secs Computing kpt #: 263 total cpu time spent up to now is 68.3 secs Computing kpt #: 264 total cpu time spent up to now is 68.7 secs Computing kpt #: 265 total cpu time spent up to now is 68.9 secs Computing kpt #: 266 total cpu time spent up to now is 69.2 secs Computing kpt #: 267 total cpu time spent up to now is 69.4 secs Computing kpt #: 268 total cpu time spent up to now is 69.6 secs Computing kpt #: 269 total cpu time spent up to now is 69.8 secs Computing kpt #: 270 total cpu time spent up to now is 70.0 secs Computing kpt #: 271 total cpu time spent up to now is 70.2 secs Computing kpt #: 272 total cpu time spent up to now is 70.4 secs Computing kpt #: 273 total cpu time spent up to now is 70.6 secs Computing kpt #: 274 total cpu time spent up to now is 70.8 secs Computing kpt #: 275 total cpu time spent up to now is 71.0 secs Computing kpt #: 276 total cpu time spent up to now is 71.2 secs Computing kpt #: 277 total cpu time spent up to now is 71.4 secs Computing kpt #: 278 total cpu time spent up to now is 71.7 secs Computing kpt #: 279 total cpu time spent up to now is 71.9 secs Computing kpt #: 280 total cpu time spent up to now is 72.2 secs Computing kpt #: 281 total cpu time spent up to now is 72.4 secs Computing kpt #: 282 total cpu time spent up to now is 72.7 secs Computing kpt #: 283 total cpu time spent up to now is 72.9 secs Computing kpt #: 284 total cpu time spent up to now is 73.1 secs Computing kpt #: 285 total cpu time spent up to now is 73.3 secs Computing kpt #: 286 total cpu time spent up to now is 73.6 secs Computing kpt #: 287 total cpu time spent up to now is 73.8 secs Computing kpt #: 288 total cpu time spent up to now is 74.0 secs Computing kpt #: 289 total cpu time spent up to now is 74.2 secs Computing kpt #: 290 total cpu time spent up to now is 74.5 secs Computing kpt #: 291 total cpu time spent up to now is 74.7 secs Computing kpt #: 292 total cpu time spent up to now is 75.0 secs Computing kpt #: 293 total cpu time spent up to now is 75.2 secs Computing kpt #: 294 total cpu time spent up to now is 75.4 secs Computing kpt #: 295 total cpu time spent up to now is 75.7 secs Computing kpt #: 296 total cpu time spent up to now is 76.0 secs Computing kpt #: 297 total cpu time spent up to now is 76.3 secs Computing kpt #: 298 total cpu time spent up to now is 76.6 secs Computing kpt #: 299 total cpu time spent up to now is 76.8 secs Computing kpt #: 300 total cpu time spent up to now is 77.1 secs Computing kpt #: 301 total cpu time spent up to now is 77.4 secs Computing kpt #: 302 total cpu time spent up to now is 77.7 secs Computing kpt #: 303 total cpu time spent up to now is 78.0 secs Computing kpt #: 304 total cpu time spent up to now is 78.2 secs Computing kpt #: 305 total cpu time spent up to now is 78.4 secs Computing kpt #: 306 total cpu time spent up to now is 78.6 secs Computing kpt #: 307 total cpu time spent up to now is 78.9 secs Computing kpt #: 308 total cpu time spent up to now is 79.1 secs Computing kpt #: 309 total cpu time spent up to now is 79.3 secs Computing kpt #: 310 total cpu time spent up to now is 79.6 secs Computing kpt #: 311 total cpu time spent up to now is 79.8 secs Computing kpt #: 312 total cpu time spent up to now is 80.1 secs Computing kpt #: 313 total cpu time spent up to now is 80.4 secs Computing kpt #: 314 total cpu time spent up to now is 80.7 secs Computing kpt #: 315 total cpu time spent up to now is 81.0 secs Computing kpt #: 316 total cpu time spent up to now is 81.2 secs Computing kpt #: 317 total cpu time spent up to now is 81.6 secs Computing kpt #: 318 total cpu time spent up to now is 81.9 secs Computing kpt #: 319 total cpu time spent up to now is 82.2 secs Computing kpt #: 320 total cpu time spent up to now is 82.4 secs Computing kpt #: 321 total cpu time spent up to now is 82.7 secs Computing kpt #: 322 total cpu time spent up to now is 82.9 secs Computing kpt #: 323 total cpu time spent up to now is 83.2 secs Computing kpt #: 324 total cpu time spent up to now is 83.4 secs Computing kpt #: 325 total cpu time spent up to now is 83.6 secs Computing kpt #: 326 total cpu time spent up to now is 83.8 secs Computing kpt #: 327 total cpu time spent up to now is 84.1 secs Computing kpt #: 328 total cpu time spent up to now is 84.3 secs Computing kpt #: 329 total cpu time spent up to now is 84.5 secs Computing kpt #: 330 total cpu time spent up to now is 84.7 secs Computing kpt #: 331 total cpu time spent up to now is 84.9 secs Computing kpt #: 332 total cpu time spent up to now is 85.1 secs Computing kpt #: 333 total cpu time spent up to now is 85.2 secs Computing kpt #: 334 total cpu time spent up to now is 85.4 secs Computing kpt #: 335 total cpu time spent up to now is 85.6 secs Computing kpt #: 336 total cpu time spent up to now is 85.8 secs Computing kpt #: 337 total cpu time spent up to now is 86.0 secs Computing kpt #: 338 total cpu time spent up to now is 86.2 secs Computing kpt #: 339 total cpu time spent up to now is 86.3 secs Computing kpt #: 340 total cpu time spent up to now is 86.5 secs Computing kpt #: 341 total cpu time spent up to now is 86.7 secs Computing kpt #: 342 total cpu time spent up to now is 86.9 secs Computing kpt #: 343 total cpu time spent up to now is 87.1 secs Computing kpt #: 344 total cpu time spent up to now is 87.2 secs Computing kpt #: 345 total cpu time spent up to now is 87.4 secs Computing kpt #: 346 total cpu time spent up to now is 87.6 secs Computing kpt #: 347 total cpu time spent up to now is 87.8 secs Computing kpt #: 348 total cpu time spent up to now is 88.0 secs Computing kpt #: 349 total cpu time spent up to now is 88.2 secs Computing kpt #: 350 total cpu time spent up to now is 88.4 secs Computing kpt #: 351 total cpu time spent up to now is 88.6 secs Computing kpt #: 352 total cpu time spent up to now is 88.7 secs Computing kpt #: 353 total cpu time spent up to now is 89.1 secs Computing kpt #: 354 total cpu time spent up to now is 89.4 secs Computing kpt #: 355 total cpu time spent up to now is 89.7 secs Computing kpt #: 356 total cpu time spent up to now is 90.0 secs Computing kpt #: 357 total cpu time spent up to now is 90.2 secs Computing kpt #: 358 total cpu time spent up to now is 90.4 secs Computing kpt #: 359 total cpu time spent up to now is 90.6 secs Computing kpt #: 360 total cpu time spent up to now is 90.8 secs Computing kpt #: 361 total cpu time spent up to now is 91.0 secs Computing kpt #: 362 total cpu time spent up to now is 91.3 secs Computing kpt #: 363 total cpu time spent up to now is 91.6 secs Computing kpt #: 364 total cpu time spent up to now is 91.8 secs Computing kpt #: 365 total cpu time spent up to now is 92.0 secs Computing kpt #: 366 total cpu time spent up to now is 92.2 secs Computing kpt #: 367 total cpu time spent up to now is 92.4 secs Computing kpt #: 368 total cpu time spent up to now is 92.6 secs Computing kpt #: 369 total cpu time spent up to now is 92.8 secs Computing kpt #: 370 total cpu time spent up to now is 93.0 secs Computing kpt #: 371 total cpu time spent up to now is 93.2 secs Computing kpt #: 372 total cpu time spent up to now is 93.4 secs ethr = 3.57E-08, avg # of iterations = 23.1 total cpu time spent up to now is 93.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1639 PWs) bands (ev): 2.1323 2.1323 9.4883 9.4883 9.4883 9.4883 9.4978 9.4978 9.8589 9.8589 9.8589 9.8589 11.3970 11.3970 11.3970 11.3970 11.4344 11.4344 13.2416 13.2416 13.2416 13.2416 13.3151 13.3151 13.7661 13.7661 13.7661 13.7661 13.8196 13.8196 13.8196 13.8196 17.1816 17.1816 17.7248 17.7248 k = 0.0089-0.0052 0.0073 ( 1639 PWs) bands (ev): 2.1337 2.1337 9.4842 9.4842 9.4889 9.4889 9.4970 9.4970 9.8596 9.8596 9.8628 9.8628 11.3963 11.3963 11.3972 11.3972 11.4340 11.4340 13.2399 13.2399 13.2400 13.2400 13.3133 13.3133 13.7655 13.7655 13.7663 13.7663 13.8196 13.8196 13.8206 13.8206 17.1742 17.1742 17.7259 17.7259 k = 0.0179-0.0103 0.0146 ( 1639 PWs) bands (ev): 2.1380 2.1380 9.4696 9.4696 9.4908 9.4908 9.4978 9.4978 9.8618 9.8618 9.8738 9.8738 11.3939 11.3939 11.3976 11.3976 11.4332 11.4332 13.2348 13.2348 13.2354 13.2354 13.3080 13.3080 13.7636 13.7636 13.7667 13.7667 13.8195 13.8195 13.8234 13.8234 17.1532 17.1532 17.7239 17.7239 k = 0.0268-0.0155 0.0219 ( 1635 PWs) bands (ev): 2.1452 2.1452 9.4455 9.4455 9.4938 9.4938 9.5005 9.5005 9.8654 9.8654 9.8907 9.8907 11.3896 11.3896 11.3983 11.3983 11.4321 11.4321 13.2266 13.2266 13.2278 13.2278 13.2993 13.2993 13.7606 13.7606 13.7674 13.7674 13.8194 13.8194 13.8280 13.8280 17.1217 17.1217 17.7175 17.7177 k = 0.0357-0.0206 0.0292 ( 1627 PWs) bands (ev): 2.1552 2.1552 9.4142 9.4142 9.4981 9.4981 9.5047 9.5047 9.8707 9.8707 9.9113 9.9113 11.3829 11.3829 11.3993 11.3993 11.4313 11.4313 13.2155 13.2155 13.2175 13.2175 13.2876 13.2876 13.7563 13.7563 13.7684 13.7684 13.8193 13.8193 13.8339 13.8339 17.0831 17.0831 17.7070 17.7073 k = 0.0446-0.0258 0.0365 ( 1627 PWs) bands (ev): 2.1681 2.1681 9.3773 9.3773 9.5036 9.5036 9.5102 9.5102 9.8772 9.8772 9.9345 9.9345 11.3736 11.3736 11.4006 11.4006 11.4309 11.4309 13.2015 13.2015 13.2040 13.2040 13.2728 13.2728 13.7507 13.7507 13.7696 13.7696 13.8191 13.8191 13.8408 13.8408 17.0398 17.0398 17.6921 17.6923 k = 0.0536-0.0309 0.0437 ( 1619 PWs) bands (ev): 2.1839 2.1839 9.3361 9.3361 9.5104 9.5104 9.5170 9.5170 9.8851 9.8851 9.9591 9.9591 11.3613 11.3613 11.4022 11.4022 11.4311 11.4311 13.1852 13.1852 13.1878 13.1878 13.2553 13.2553 13.7440 13.7440 13.7712 13.7712 13.8189 13.8189 13.8490 13.8490 16.9935 16.9935 17.6720 17.6724 k = 0.0625-0.0361 0.0510 ( 1607 PWs) bands (ev): 2.2024 2.2024 9.2913 9.2913 9.5186 9.5186 9.5253 9.5253 9.8945 9.8945 9.9845 9.9845 11.3463 11.3463 11.4042 11.4042 11.4321 11.4321 13.1670 13.1670 13.1689 13.1689 13.2354 13.2354 13.7360 13.7360 13.7729 13.7729 13.8187 13.8187 13.8572 13.8572 16.9453 16.9453 17.6460 17.6485 k = 0.0714-0.0412 0.0583 ( 1599 PWs) bands (ev): 2.2238 2.2238 9.2436 9.2436 9.5277 9.5277 9.5345 9.5345 9.9057 9.9057 10.0102 10.0102 11.3283 11.3283 11.4064 11.4064 11.4333 11.4333 13.1474 13.1474 13.1477 13.1477 13.2135 13.2135 13.7268 13.7268 13.7746 13.7746 13.8184 13.8184 13.8653 13.8653 16.8956 16.8956 17.6133 17.6134 k = 0.0804-0.0464 0.0656 ( 1595 PWs) bands (ev): 2.2480 2.2480 9.1933 9.1933 9.5381 9.5381 9.5451 9.5451 9.9179 9.9179 10.0358 10.0358 11.3076 11.3076 11.4087 11.4087 11.4350 11.4350 13.1240 13.1240 13.1263 13.1263 13.1896 13.1896 13.7165 13.7165 13.7763 13.7763 13.8182 13.8182 13.8731 13.8731 16.8447 16.8447 17.5715 17.5730 k = 0.0893-0.0515 0.0729 ( 1595 PWs) bands (ev): 2.2750 2.2750 9.1409 9.1409 9.5496 9.5496 9.5567 9.5567 9.9315 9.9315 10.0612 10.0612 11.2840 11.2840 11.4114 11.4114 11.4371 11.4371 13.0982 13.0982 13.1043 13.1043 13.1642 13.1642 13.7049 13.7049 13.7782 13.7782 13.8179 13.8179 13.8805 13.8805 16.7927 16.7927 17.5221 17.5222 k = 0.0982-0.0567 0.0802 ( 1599 PWs) bands (ev): 2.3047 2.3047 9.0866 9.0866 9.5621 9.5621 9.5694 9.5694 9.9465 9.9465 10.0861 10.0861 11.2576 11.2576 11.4141 11.4141 11.4394 11.4394 13.0704 13.0704 13.0814 13.0814 13.1377 13.1377 13.6921 13.6921 13.7801 13.7801 13.8175 13.8175 13.8873 13.8873 16.7395 16.7395 17.4655 17.4655 k = 0.1071-0.0619 0.0875 ( 1591 PWs) bands (ev): 2.3371 2.3371 9.0308 9.0308 9.5760 9.5760 9.5835 9.5835 9.9629 9.9629 10.1107 10.1107 11.2286 11.2286 11.4173 11.4173 11.4422 11.4422 13.0410 13.0410 13.0577 13.0577 13.1109 13.1109 13.6781 13.6781 13.7820 13.7820 13.8173 13.8173 13.8934 13.8934 16.6848 16.6848 17.4019 17.4019 k = 0.1161-0.0670 0.0948 ( 1591 PWs) bands (ev): 2.3723 2.3723 8.9735 8.9735 9.5909 9.5909 9.5985 9.5985 9.9806 9.9806 10.1345 10.1345 11.1969 11.1969 11.4207 11.4207 11.4452 11.4452 13.0100 13.0100 13.0328 13.0328 13.0844 13.0844 13.6630 13.6630 13.7838 13.7838 13.8170 13.8170 13.8986 13.8986 16.6285 16.6285 17.3318 17.3318 k = 0.1250-0.0722 0.1021 ( 1603 PWs) bands (ev): 2.4101 2.4101 8.9150 8.9150 9.6068 9.6068 9.6147 9.6147 9.9996 9.9996 10.1576 10.1576 11.1623 11.1623 11.4239 11.4239 11.4481 11.4481 12.9775 12.9775 13.0058 13.0058 13.0592 13.0592 13.6464 13.6464 13.7854 13.7854 13.8166 13.8166 13.9028 13.9028 16.5703 16.5703 17.2559 17.2559 k = 0.1339-0.0773 0.1094 ( 1599 PWs) bands (ev): 2.4505 2.4505 8.8555 8.8555 9.6239 9.6239 9.6319 9.6319 10.0199 10.0199 10.1801 10.1801 11.1255 11.1255 11.4277 11.4277 11.4515 11.4515 12.9441 12.9441 12.9769 12.9769 13.0365 13.0365 13.6289 13.6289 13.7869 13.7869 13.8163 13.8163 13.9062 13.9062 16.5098 16.5098 17.1748 17.1748 k = 0.1429-0.0825 0.1166 ( 1603 PWs) bands (ev): 2.4935 2.4935 8.7952 8.7952 9.6420 9.6420 9.6502 9.6502 10.0416 10.0416 10.2016 10.2016 11.0861 11.0861 11.4316 11.4316 11.4551 11.4551 12.9098 12.9098 12.9458 12.9458 13.0163 13.0163 13.6102 13.6102 13.7881 13.7881 13.8161 13.8161 13.9083 13.9083 16.4467 16.4467 17.0892 17.0892 k = 0.1518-0.0876 0.1239 ( 1603 PWs) bands (ev): 2.5391 2.5391 8.7343 8.7343 9.6611 9.6611 9.6696 9.6696 10.0645 10.0645 10.2221 10.2221 11.0445 11.0445 11.4356 11.4356 11.4588 11.4588 12.8747 12.8747 12.9129 12.9129 12.9986 12.9986 13.5904 13.5904 13.7892 13.7892 13.8158 13.8158 13.9095 13.9095 16.3807 16.3807 16.9997 16.9997 k = 0.1607-0.0928 0.1312 ( 1599 PWs) bands (ev): 2.5872 2.5872 8.6729 8.6729 9.6813 9.6813 9.6900 9.6900 10.0888 10.0888 10.2416 10.2416 11.0007 11.0007 11.4400 11.4400 11.4627 11.4627 12.8392 12.8392 12.8789 12.8789 12.9832 12.9832 13.5696 13.5696 13.7900 13.7900 13.8156 13.8156 13.9097 13.9097 16.3116 16.3116 16.9069 16.9070 k = 0.1696-0.0979 0.1385 ( 1599 PWs) bands (ev): 2.6377 2.6377 8.6112 8.6112 9.7023 9.7023 9.7113 9.7113 10.1142 10.1142 10.2598 10.2598 10.9550 10.9550 11.4442 11.4442 11.4666 11.4666 12.8033 12.8033 12.8441 12.8441 12.9699 12.9699 13.5477 13.5477 13.7907 13.7907 13.8157 13.8157 13.9087 13.9087 16.2392 16.2392 16.8113 16.8113 k = 0.1786-0.1031 0.1458 ( 1607 PWs) bands (ev): 2.6906 2.6906 8.5493 8.5493 9.7245 9.7245 9.7337 9.7337 10.1408 10.1408 10.2766 10.2766 10.9075 10.9075 11.4485 11.4485 11.4704 11.4704 12.7670 12.7670 12.8086 12.8086 12.9586 12.9586 13.5245 13.5245 13.7909 13.7909 13.8155 13.8155 13.9068 13.9068 16.1634 16.1634 16.7135 16.7135 k = 0.1875-0.1083 0.1531 ( 1607 PWs) bands (ev): 2.7458 2.7458 8.4875 8.4875 9.7475 9.7475 9.7570 9.7570 10.1686 10.1686 10.2921 10.2921 10.8584 10.8584 11.4528 11.4528 11.4743 11.4743 12.7310 12.7310 12.7732 12.7732 12.9492 12.9492 13.5003 13.5003 13.7909 13.7909 13.8152 13.8152 13.9038 13.9038 16.0840 16.0840 16.6141 16.6141 k = 0.1964-0.1134 0.1604 ( 1607 PWs) bands (ev): 2.8033 2.8033 8.4259 8.4259 9.7715 9.7715 9.7812 9.7812 10.1975 10.1975 10.3060 10.3060 10.8080 10.8080 11.4571 11.4571 11.4780 11.4780 12.6953 12.6953 12.7379 12.7379 12.9416 12.9416 13.4751 13.4751 13.7906 13.7906 13.8148 13.8148 13.8999 13.8999 16.0013 16.0013 16.5134 16.5134 k = 0.2054-0.1186 0.1677 ( 1607 PWs) bands (ev): 2.8630 2.8630 8.3646 8.3646 9.7963 9.7963 9.8063 9.8063 10.2275 10.2275 10.3181 10.3181 10.7564 10.7564 11.4612 11.4612 11.4816 11.4816 12.6600 12.6600 12.7031 12.7031 12.9357 12.9357 13.4488 13.4488 13.7901 13.7901 13.8142 13.8142 13.8950 13.8950 15.9153 15.9153 16.4116 16.4117 k = 0.2143-0.1237 0.1750 ( 1607 PWs) bands (ev): 2.9248 2.9248 8.3038 8.3038 9.8220 9.8220 9.8322 9.8322 10.2586 10.2586 10.3282 10.3282 10.7039 10.7039 11.4651 11.4651 11.4850 11.4850 12.6254 12.6254 12.6689 12.6689 12.9314 12.9314 13.4215 13.4215 13.7893 13.7893 13.8135 13.8135 13.8891 13.8891 15.8265 15.8265 16.3093 16.3093 k = 0.2232-0.1289 0.1823 ( 1615 PWs) bands (ev): 2.9887 2.9887 8.2436 8.2436 9.8482 9.8482 9.8588 9.8588 10.2907 10.2907 10.3361 10.3361 10.6507 10.6507 11.4687 11.4687 11.4879 11.4879 12.5917 12.5917 12.6356 12.6356 12.9287 12.9287 13.3932 13.3932 13.7882 13.7882 13.8124 13.8124 13.8824 13.8824 15.7353 15.7353 16.2065 16.2065 k = 0.2321-0.1340 0.1895 ( 1611 PWs) bands (ev): 3.0544 3.0544 8.1842 8.1842 9.8754 9.8754 9.8862 9.8862 10.3237 10.3237 10.3417 10.3417 10.5973 10.5973 11.4720 11.4720 11.4905 11.4905 12.5590 12.5590 12.6033 12.6033 12.9275 12.9275 13.3640 13.3640 13.7870 13.7870 13.8113 13.8113 13.8750 13.8750 15.6421 15.6421 16.1037 16.1037 k = 0.2411-0.1392 0.1968 ( 1612 PWs) bands (ev): 3.1220 3.1220 8.1255 8.1255 9.9033 9.9033 9.9143 9.9143 10.3447 10.3447 10.3576 10.3576 10.5435 10.5435 11.4748 11.4748 11.4925 11.4925 12.5277 12.5277 12.5724 12.5724 12.9277 12.9277 13.3340 13.3340 13.7854 13.7854 13.8097 13.8097 13.8666 13.8666 15.5477 15.5477 16.0011 16.0016 k = 0.2500-0.1443 0.2041 ( 1612 PWs) bands (ev): 3.1914 3.1914 8.0679 8.0679 9.9318 9.9318 9.9431 9.9431 10.3449 10.3449 10.3920 10.3920 10.4902 10.4902 11.4771 11.4771 11.4939 11.4939 12.4979 12.4979 12.5430 12.5430 12.9291 12.9291 13.3031 13.3031 13.7835 13.7835 13.8080 13.8080 13.8574 13.8574 15.4527 15.4527 15.8988 15.8988 k = 0.2589-0.1495 0.2114 ( 1612 PWs) bands (ev): 3.2623 3.2623 8.0114 8.0114 9.9609 9.9609 9.9724 9.9724 10.3421 10.3421 10.4206 10.4206 10.4437 10.4437 11.4785 11.4785 11.4945 11.4945 12.4698 12.4698 12.5154 12.5154 12.9317 12.9317 13.2714 13.2714 13.7812 13.7812 13.8060 13.8060 13.8475 13.8475 15.3579 15.3579 15.7970 15.7971 k = 0.2679-0.1546 0.2187 ( 1612 PWs) bands (ev): 3.3347 3.3347 7.9560 7.9560 9.9906 9.9906 10.0023 10.0023 10.3361 10.3361 10.3803 10.3803 10.4672 10.4672 11.4792 11.4792 11.4942 11.4942 12.4436 12.4436 12.4898 12.4898 12.9354 12.9354 13.2391 13.2391 13.7784 13.7784 13.8038 13.8038 13.8370 13.8370 15.2641 15.2641 15.6961 15.6961 k = 0.2768-0.1598 0.2260 ( 1612 PWs) bands (ev): 3.4085 3.4085 7.9019 7.9019 10.0207 10.0207 10.0327 10.0327 10.3268 10.3268 10.3283 10.3283 10.5038 10.5038 11.4788 11.4788 11.4929 11.4929 12.4196 12.4196 12.4663 12.4663 12.9400 12.9400 13.2062 13.2062 13.7750 13.7750 13.8015 13.8015 13.8258 13.8258 15.1719 15.1719 15.5960 15.5960 k = 0.2857-0.1650 0.2333 ( 1612 PWs) bands (ev): 3.4834 3.4834 7.8492 7.8492 10.0512 10.0512 10.0634 10.0634 10.2765 10.2765 10.3139 10.3139 10.5417 10.5417 11.4773 11.4773 11.4903 11.4903 12.3980 12.3980 12.4452 12.4452 12.9453 12.9453 13.1728 13.1728 13.7708 13.7708 13.7991 13.7991 13.8139 13.8139 15.0823 15.0823 15.4970 15.4970 k = 0.2946-0.1701 0.2406 ( 1612 PWs) bands (ev): 3.5593 3.5593 7.7979 7.7979 10.0820 10.0820 10.0945 10.0945 10.2256 10.2256 10.2973 10.2973 10.5802 10.5802 11.4745 11.4745 11.4865 11.4865 12.3790 12.3790 12.4267 12.4267 12.9510 12.9510 13.1394 13.1394 13.7657 13.7657 13.7969 13.7969 13.8016 13.8016 14.9957 14.9957 15.3993 15.3993 k = 0.3036-0.1753 0.2479 ( 1612 PWs) bands (ev): 3.6360 3.6360 7.7482 7.7482 10.1126 10.1126 10.1259 10.1259 10.1763 10.1763 10.2770 10.2770 10.6194 10.6194 11.4703 11.4703 11.4812 11.4812 12.3627 12.3627 12.4110 12.4110 12.9567 12.9567 13.1064 13.1064 13.7595 13.7595 13.7887 13.7887 13.7947 13.7947 14.9130 14.9130 15.3029 15.3029 k = 0.3125-0.1804 0.2552 ( 1620 PWs) bands (ev): 3.7134 3.7134 7.7001 7.7001 10.1231 10.1231 10.1485 10.1485 10.1575 10.1575 10.2529 10.2529 10.6585 10.6585 11.4646 11.4646 11.4744 11.4744 12.3491 12.3491 12.3979 12.3979 12.9609 12.9609 13.0749 13.0749 13.7523 13.7523 13.7754 13.7754 13.7928 13.7928 14.8347 14.8347 15.2080 15.2086 k = 0.3214-0.1856 0.2624 ( 1616 PWs) bands (ev): 3.7911 3.7911 7.6536 7.6536 10.0782 10.0782 10.1777 10.1777 10.1893 10.1893 10.2250 10.2250 10.6985 10.6985 11.4574 11.4574 11.4662 11.4662 12.3389 12.3389 12.3881 12.3881 12.9609 12.9609 13.0481 13.0481 13.7443 13.7443 13.7617 13.7617 13.7910 13.7910 14.7611 14.7611 15.1148 15.1148 k = 0.3304-0.1907 0.2697 ( 1624 PWs) bands (ev): 3.8690 3.8690 7.6089 7.6089 10.0324 10.0324 10.1936 10.1936 10.2090 10.2090 10.2209 10.2209 10.7388 10.7388 11.4484 11.4484 11.4562 11.4562 12.3315 12.3315 12.3811 12.3811 12.9507 12.9507 13.0317 13.0317 13.7348 13.7348 13.7474 13.7474 13.7893 13.7893 14.6929 14.6929 15.0235 15.0235 k = 0.3393-0.1959 0.2770 ( 1624 PWs) bands (ev): 3.9468 3.9468 7.5661 7.5661 9.9883 9.9883 10.1586 10.1586 10.2406 10.2406 10.2527 10.2527 10.7793 10.7793 11.4380 11.4380 11.4448 11.4448 12.3272 12.3272 12.3772 12.3772 12.9277 12.9277 13.0284 13.0284 13.7243 13.7243 13.7330 13.7330 13.7878 13.7878 14.6301 14.6301 14.9342 14.9342 k = 0.3482-0.2010 0.2843 ( 1616 PWs) bands (ev): 4.0242 4.0242 7.5253 7.5253 9.9460 9.9460 10.1205 10.1205 10.2724 10.2724 10.2845 10.2845 10.8198 10.8198 11.4263 11.4263 11.4323 11.4323 12.3259 12.3259 12.3761 12.3761 12.8969 12.8969 13.0333 13.0333 13.7130 13.7130 13.7184 13.7184 13.7865 13.7865 14.5729 14.5729 14.8471 14.8471 k = 0.3571-0.2062 0.2916 ( 1616 PWs) bands (ev): 4.1008 4.1008 7.4863 7.4863 9.9054 9.9054 10.0795 10.0795 10.3038 10.3038 10.3159 10.3159 10.8603 10.8603 11.4130 11.4130 11.4181 11.4181 12.3275 12.3275 12.3778 12.3778 12.8629 12.8629 13.0419 13.0419 13.7009 13.7009 13.7036 13.7036 13.7852 13.7852 14.5212 14.5212 14.7624 14.7624 k = 0.3661-0.2114 0.2989 ( 1624 PWs) bands (ev): 4.1764 4.1764 7.4493 7.4493 9.8668 9.8668 10.0359 10.0359 10.3349 10.3349 10.3469 10.3469 10.9004 10.9004 11.3983 11.3983 11.4026 11.4026 12.3314 12.3314 12.3818 12.3818 12.8274 12.8274 13.0521 13.0521 13.6883 13.6883 13.6886 13.6886 13.7840 13.7840 14.4749 14.4749 14.6802 14.6802 k = 0.3750-0.2165 0.3062 ( 1624 PWs) bands (ev): 4.2505 4.2505 7.4143 7.4143 9.8302 9.8302 9.9904 9.9904 10.3657 10.3657 10.3775 10.3775 10.9403 10.9403 11.3826 11.3826 11.3861 11.3861 12.3382 12.3382 12.3886 12.3886 12.7915 12.7915 13.0635 13.0635 13.6735 13.6735 13.6753 13.6753 13.7829 13.7829 14.4336 14.4336 14.6008 14.6008 k = 0.3839-0.2217 0.3135 ( 1608 PWs) bands (ev): 4.3229 4.3229 7.3816 7.3816 9.7962 9.7962 9.9437 9.9437 10.3959 10.3959 10.4076 10.4076 10.9795 10.9795 11.3659 11.3659 11.3688 11.3688 12.3472 12.3472 12.3975 12.3975 12.7558 12.7558 13.0755 13.0755 13.6587 13.6587 13.6624 13.6624 13.7822 13.7822 14.3968 14.3968 14.5244 14.5244 k = 0.3929-0.2268 0.3208 ( 1608 PWs) bands (ev): 4.3928 4.3928 7.3508 7.3508 9.7641 9.7641 9.8960 9.8960 10.4255 10.4255 10.4370 10.4370 11.0180 11.0180 11.3486 11.3486 11.3508 11.3508 12.3582 12.3582 12.4084 12.4084 12.7204 12.7204 13.0879 13.0879 13.6438 13.6438 13.6495 13.6495 13.7812 13.7812 14.3634 14.3634 14.4512 14.4514 k = 0.4018-0.2320 0.3281 ( 1608 PWs) bands (ev): 4.4600 4.4600 7.3223 7.3223 9.7343 9.7343 9.8482 9.8482 10.4543 10.4543 10.4656 10.4656 11.0554 11.0554 11.3308 11.3308 11.3324 11.3324 12.3708 12.3708 12.4207 12.4207 12.6857 12.6857 13.1005 13.1005 13.6290 13.6290 13.6370 13.6370 13.7803 13.7803 14.3308 14.3308 14.3816 14.3816 k = 0.4107-0.2371 0.3353 ( 1608 PWs) bands (ev): 4.5239 4.5239 7.2960 7.2960 9.7068 9.7068 9.8010 9.8010 10.4822 10.4822 10.4931 10.4931 11.0915 11.0915 11.3128 11.3128 11.3139 11.3139 12.3847 12.3847 12.4343 12.4343 12.6520 12.6520 13.1130 13.1130 13.6146 13.6146 13.6249 13.6249 13.7793 13.7793 14.2918 14.2918 14.3159 14.3159 k = 0.4196-0.2423 0.3426 ( 1608 PWs) bands (ev): 4.5841 4.5841 7.2719 7.2719 9.6818 9.6818 9.7551 9.7551 10.5088 10.5088 10.5195 10.5195 11.1260 11.1260 11.2949 11.2949 11.2955 11.2955 12.3994 12.3994 12.4486 12.4486 12.6198 12.6198 13.1254 13.1254 13.6006 13.6006 13.6137 13.6137 13.7784 13.7784 14.2421 14.2421 14.2544 14.2544 k = 0.4286-0.2474 0.3499 ( 1608 PWs) bands (ev): 4.6399 4.6399 7.2502 7.2502 9.6593 9.6593 9.7114 9.7114 10.5341 10.5341 10.5444 10.5444 11.1584 11.1584 11.2773 11.2773 11.2775 11.2775 12.4145 12.4145 12.4631 12.4631 12.5894 12.5894 13.1374 13.1374 13.5871 13.5871 13.6034 13.6034 13.7775 13.7775 14.1898 14.1898 14.1975 14.1975 k = 0.4375-0.2526 0.3572 ( 1608 PWs) bands (ev): 4.6909 4.6909 7.2308 7.2308 9.6393 9.6393 9.6706 9.6706 10.5577 10.5577 10.5677 10.5677 11.1882 11.1882 11.2604 11.2604 11.2606 11.2606 12.4296 12.4296 12.4773 12.4773 12.5615 12.5615 13.1489 13.1489 13.5744 13.5744 13.5942 13.5942 13.7766 13.7766 14.1404 14.1404 14.1457 14.1457 k = 0.4464-0.2577 0.3645 ( 1608 PWs) bands (ev): 4.7364 4.7364 7.2139 7.2139 9.6219 9.6219 9.6334 9.6334 10.5793 10.5793 10.5889 10.5889 11.2141 11.2141 11.2445 11.2445 11.2459 11.2459 12.4441 12.4441 12.4896 12.4896 12.5372 12.5372 13.1596 13.1596 13.5627 13.5627 13.5860 13.5860 13.7757 13.7757 14.0957 14.0957 14.0994 14.0994 k = 0.4554-0.2629 0.3718 ( 1608 PWs) bands (ev): 4.7760 4.7760 7.1995 7.1995 9.6006 9.6006 9.6072 9.6072 10.5985 10.5985 10.6079 10.6079 11.2235 11.2235 11.2301 11.2301 11.2460 11.2460 12.4576 12.4576 12.4949 12.4949 12.5220 12.5220 13.1693 13.1693 13.5521 13.5521 13.5790 13.5790 13.7748 13.7748 14.0566 14.0566 14.0590 14.0590 k = 0.4643-0.2681 0.3791 ( 1604 PWs) bands (ev): 4.8092 4.8092 7.1876 7.1876 9.5729 9.5729 9.5951 9.5951 10.6151 10.6151 10.6241 10.6241 11.2136 11.2136 11.2176 11.2176 11.2638 11.2638 12.4695 12.4695 12.4847 12.4847 12.5242 12.5242 13.1778 13.1778 13.5430 13.5430 13.5732 13.5732 13.7740 13.7740 14.0240 14.0240 14.0252 14.0252 k = 0.4732-0.2732 0.3864 ( 1604 PWs) bands (ev): 4.8355 4.8355 7.1783 7.1783 9.5507 9.5507 9.5856 9.5856 10.6286 10.6286 10.6373 10.6373 11.2034 11.2034 11.2072 11.2072 11.2800 11.2800 12.4709 12.4709 12.4794 12.4794 12.5318 12.5318 13.1848 13.1848 13.5354 13.5354 13.5686 13.5686 13.7732 13.7732 13.9981 13.9981 13.9983 13.9983 k = 0.4821-0.2784 0.3937 ( 1596 PWs) bands (ev): 4.8546 4.8546 7.1716 7.1716 9.5344 9.5344 9.5789 9.5789 10.6385 10.6385 10.6471 10.6471 11.1957 11.1957 11.1995 11.1995 11.2920 11.2920 12.4599 12.4599 12.4867 12.4867 12.5383 12.5383 13.1900 13.1900 13.5301 13.5301 13.5655 13.5655 13.7725 13.7725 13.9789 13.9789 13.9796 13.9796 k = 0.4911-0.2835 0.4010 ( 1596 PWs) bands (ev): 4.8661 4.8661 7.1676 7.1676 9.5245 9.5245 9.5748 9.5748 10.6446 10.6446 10.6531 10.6531 11.1908 11.1908 11.1947 11.1947 11.2994 11.2994 12.4531 12.4531 12.4913 12.4913 12.5425 12.5425 13.1933 13.1933 13.5266 13.5266 13.5635 13.5635 13.7721 13.7721 13.9671 13.9671 13.9683 13.9683 k = 0.5000-0.2887 0.4082 ( 1604 PWs) bands (ev): 4.8700 4.8700 7.1662 7.1662 9.5212 9.5212 9.5735 9.5735 10.6466 10.6466 10.6550 10.6550 11.1891 11.1891 11.1930 11.1930 11.3019 11.3019 12.4507 12.4507 12.4926 12.4926 12.5438 12.5438 13.1943 13.1943 13.5254 13.5254 13.5628 13.5628 13.7719 13.7719 13.9630 13.9630 13.9645 13.9645 k = 0.5000-0.2887 0.4082 ( 1604 PWs) bands (ev): 4.8700 4.8700 7.1662 7.1662 9.5212 9.5212 9.5735 9.5735 10.6466 10.6466 10.6550 10.6550 11.1891 11.1891 11.1930 11.1930 11.3019 11.3019 12.4507 12.4507 12.4926 12.4926 12.5438 12.5438 13.1943 13.1943 13.5254 13.5254 13.5628 13.5628 13.7719 13.7719 13.9630 13.9630 13.9645 13.9645 k = 0.5000-0.2784 0.4155 ( 1596 PWs) bands (ev): 4.8704 4.8704 7.1675 7.1675 9.5204 9.5204 9.5690 9.5690 10.6466 10.6466 10.6565 10.6565 11.1879 11.1879 11.1927 11.1927 11.3049 11.3049 12.4519 12.4519 12.4923 12.4923 12.5434 12.5434 13.1921 13.1921 13.5255 13.5255 13.5629 13.5629 13.7735 13.7735 13.9629 13.9629 13.9658 13.9658 k = 0.5000-0.2681 0.4228 ( 1596 PWs) bands (ev): 4.8714 4.8714 7.1713 7.1713 9.5177 9.5177 9.5556 9.5556 10.6421 10.6421 10.6649 10.6649 11.1829 11.1829 11.1934 11.1934 11.3134 11.3134 12.4546 12.4546 12.4902 12.4902 12.5430 12.5430 13.1853 13.1853 13.5255 13.5255 13.5632 13.5632 13.7782 13.7782 13.9610 13.9610 13.9710 13.9710 k = 0.5000-0.2577 0.4301 ( 1604 PWs) bands (ev): 4.8730 4.8730 7.1777 7.1777 9.5132 9.5132 9.5338 9.5338 10.6326 10.6326 10.6804 10.6804 11.1750 11.1750 11.1955 11.1955 11.3259 11.3259 12.4565 12.4565 12.4852 12.4852 12.5461 12.5461 13.1743 13.1743 13.5253 13.5253 13.5635 13.5635 13.7857 13.7857 13.9577 13.9577 13.9795 13.9795 k = 0.5000-0.2474 0.4374 ( 1612 PWs) bands (ev): 4.8752 4.8752 7.1866 7.1866 9.5043 9.5043 9.5069 9.5069 10.6196 10.6196 10.7013 10.7013 11.1658 11.1658 11.1984 11.1984 11.3412 11.3412 12.4545 12.4545 12.4771 12.4771 12.5565 12.5565 13.1595 13.1595 13.5250 13.5250 13.5640 13.5640 13.7961 13.7961 13.9531 13.9531 13.9910 13.9910 k = 0.5000-0.2371 0.4447 ( 1612 PWs) bands (ev): 4.8781 4.8781 7.1980 7.1980 9.4685 9.4685 9.4990 9.4990 10.6036 10.6036 10.7267 10.7267 11.1564 11.1564 11.2025 11.2025 11.3586 11.3586 12.4443 12.4443 12.4691 12.4691 12.5751 12.5751 13.1413 13.1413 13.5245 13.5245 13.5645 13.5645 13.8087 13.8087 13.9474 13.9474 14.0052 14.0052 k = 0.5000-0.2268 0.4520 ( 1616 PWs) bands (ev): 4.8816 4.8816 7.2119 7.2119 9.4269 9.4269 9.4893 9.4893 10.5853 10.5853 10.7553 10.7553 11.1472 11.1472 11.2073 11.2073 11.3775 11.3775 12.4254 12.4254 12.4630 12.4630 12.6006 12.6006 13.1202 13.1202 13.5236 13.5236 13.5649 13.5649 13.8231 13.8231 13.9406 13.9406 14.0213 14.0213 k = 0.5000-0.2165 0.4593 ( 1616 PWs) bands (ev): 4.8857 4.8857 7.2282 7.2282 9.3806 9.3806 9.4780 9.4780 10.5654 10.5654 10.7864 10.7864 11.1386 11.1386 11.2130 11.2130 11.3975 11.3975 12.4010 12.4010 12.4571 12.4571 12.6314 12.6314 13.0967 13.0967 13.5224 13.5224 13.5654 13.5654 13.8385 13.8385 13.9335 13.9335 14.0392 14.0392 k = 0.5000-0.2062 0.4666 ( 1614 PWs) bands (ev): 4.8903 4.8903 7.2471 7.2471 9.3302 9.3302 9.4651 9.4651 10.5444 10.5444 10.8190 10.8190 11.1307 11.1307 11.2195 11.2195 11.4184 11.4184 12.3732 12.3732 12.4508 12.4508 12.6662 12.6662 13.0714 13.0714 13.5209 13.5209 13.5656 13.5656 13.8535 13.8535 13.9268 13.9268 14.0583 14.0583 k = 0.5000-0.1959 0.4739 ( 1622 PWs) bands (ev): 4.8953 4.8953 7.2684 7.2684 9.2764 9.2764 9.4505 9.4505 10.5229 10.5229 10.8524 10.8524 11.1236 11.1236 11.2267 11.2267 11.4400 11.4400 12.3433 12.3433 12.4438 12.4438 12.7039 12.7039 13.0446 13.0446 13.5190 13.5190 13.5655 13.5655 13.8652 13.8652 13.9228 13.9228 14.0782 14.0782 k = 0.5000-0.1856 0.4811 ( 1620 PWs) bands (ev): 4.9007 4.9007 7.2921 7.2921 9.2198 9.2198 9.4346 9.4346 10.5015 10.5015 10.8860 10.8860 11.1175 11.1175 11.2346 11.2346 11.4621 11.4621 12.3118 12.3118 12.4363 12.4363 12.7436 12.7436 13.0169 13.0169 13.5172 13.5172 13.5653 13.5653 13.8692 13.8692 13.9262 13.9262 14.0987 14.0987 k = 0.5000-0.1753 0.4884 ( 1620 PWs) bands (ev): 4.9064 4.9064 7.3182 7.3182 9.1610 9.1610 9.4172 9.4172 10.4805 10.4805 10.9191 10.9191 11.1124 11.1124 11.2430 11.2430 11.4846 11.4846 12.2795 12.2795 12.4283 12.4283 12.7847 12.7847 12.9886 12.9886 13.5151 13.5151 13.5646 13.5646 13.8640 13.8640 13.9380 13.9380 14.1193 14.1193 k = 0.5000-0.1650 0.4957 ( 1620 PWs) bands (ev): 4.9124 4.9124 7.3466 7.3466 9.1003 9.1003 9.3988 9.3988 10.4603 10.4603 10.9513 10.9513 11.1085 11.1085 11.2519 11.2519 11.5075 11.5075 12.2468 12.2468 12.4202 12.4202 12.8262 12.8262 12.9603 12.9603 13.5131 13.5131 13.5634 13.5634 13.8534 13.8534 13.9543 13.9543 14.1399 14.1399 k = 0.5000-0.1546 0.5030 ( 1622 PWs) bands (ev): 4.9186 4.9186 7.3774 7.3774 9.0381 9.0381 9.3794 9.3794 10.4412 10.4412 10.9821 10.9821 11.1055 11.1055 11.2612 11.2612 11.5305 11.5305 12.2142 12.2142 12.4117 12.4117 12.8663 12.8663 12.9339 12.9339 13.5112 13.5112 13.5617 13.5617 13.8399 13.8399 13.9721 13.9721 14.1601 14.1601 k = 0.5000-0.1443 0.5103 ( 1626 PWs) bands (ev): 4.9250 4.9250 7.4104 7.4104 8.9747 8.9747 9.3593 9.3593 10.4233 10.4233 11.0112 11.0112 11.1035 11.1035 11.2709 11.2709 11.5535 11.5535 12.1820 12.1820 12.4031 12.4031 12.8882 12.8882 12.9257 12.9257 13.5096 13.5096 13.5593 13.5593 13.8247 13.8247 13.9904 13.9904 14.1798 14.1798 k = 0.5000-0.1340 0.5176 ( 1618 PWs) bands (ev): 4.9313 4.9313 7.4457 7.4457 8.9105 8.9105 9.3388 9.3388 10.4069 10.4069 11.0382 11.0382 11.1026 11.1026 11.2808 11.2808 11.5767 11.5767 12.1507 12.1507 12.3947 12.3947 12.8687 12.8687 12.9595 12.9595 13.5084 13.5084 13.5563 13.5563 13.8085 13.8085 14.0085 14.0085 14.1988 14.1988 k = 0.5000-0.1237 0.5249 ( 1618 PWs) bands (ev): 4.9377 4.9377 7.4831 7.4831 8.8457 8.8457 9.3182 9.3182 10.3919 10.3919 11.0629 11.0629 11.1027 11.1027 11.2908 11.2908 11.5996 11.5996 12.1203 12.1203 12.3864 12.3864 12.8428 12.8428 12.9993 12.9993 13.5078 13.5078 13.5525 13.5525 13.7915 13.7915 14.0261 14.0261 14.2168 14.2168 k = 0.5000-0.1134 0.5322 ( 1618 PWs) bands (ev): 4.9439 4.9439 7.5227 7.5227 8.7803 8.7803 9.2978 9.2978 10.3785 10.3785 11.0850 11.0850 11.1039 11.1039 11.3007 11.3007 11.6223 11.6223 12.0912 12.0912 12.3782 12.3782 12.8171 12.8171 13.0389 13.0389 13.5078 13.5078 13.5479 13.5479 13.7738 13.7738 14.0430 14.0430 14.2221 14.2221 k = 0.5000-0.1031 0.5395 ( 1614 PWs) bands (ev): 4.9499 4.9499 7.5643 7.5643 8.7148 8.7148 9.2780 9.2780 10.3665 10.3665 11.1043 11.1043 11.1062 11.1062 11.3105 11.3105 11.6446 11.6446 12.0635 12.0635 12.3705 12.3705 12.7923 12.7923 13.0774 13.0774 13.5086 13.5086 13.5426 13.5426 13.7557 13.7557 14.0592 14.0592 14.2199 14.2199 k = 0.5000-0.0928 0.5468 ( 1618 PWs) bands (ev): 4.9556 4.9556 7.6079 7.6079 8.6491 8.6491 9.2589 9.2589 10.3560 10.3560 11.1088 11.1088 11.1210 11.1210 11.3200 11.3200 11.6666 11.6666 12.0373 12.0373 12.3632 12.3632 12.7688 12.7688 13.1144 13.1144 13.5100 13.5100 13.5365 13.5365 13.7374 13.7374 14.0745 14.0745 14.2173 14.2173 k = 0.5000-0.0825 0.5541 ( 1618 PWs) bands (ev): 4.9610 4.9610 7.6535 7.6535 8.5836 8.5836 9.2410 9.2410 10.3468 10.3468 11.1126 11.1126 11.1346 11.1346 11.3290 11.3290 11.6880 11.6880 12.0127 12.0127 12.3564 12.3564 12.7472 12.7472 13.1496 13.1496 13.5118 13.5118 13.5302 13.5302 13.7189 13.7189 14.0887 14.0887 14.2145 14.2145 k = 0.5000-0.0722 0.5613 ( 1622 PWs) bands (ev): 4.9659 4.9659 7.7010 7.7010 8.5184 8.5184 9.2244 9.2244 10.3389 10.3389 11.1169 11.1169 11.1453 11.1453 11.3371 11.3371 11.7088 11.7088 11.9897 11.9897 12.3502 12.3502 12.7274 12.7274 13.1829 13.1829 13.5119 13.5119 13.5258 13.5258 13.7006 13.7006 14.1021 14.1021 14.2113 14.2113 k = 0.5000-0.0619 0.5686 ( 1618 PWs) bands (ev): 4.9703 4.9703 7.7503 7.7503 8.4535 8.4535 9.2095 9.2095 10.3324 10.3324 11.1220 11.1220 11.1534 11.1534 11.3448 11.3448 11.7289 11.7289 11.9682 11.9682 12.3447 12.3447 12.7099 12.7099 13.2140 13.2140 13.5065 13.5065 13.5273 13.5273 13.6825 13.6825 14.1145 14.1145 14.2077 14.2077 k = 0.5000-0.0515 0.5759 ( 1616 PWs) bands (ev): 4.9742 4.9742 7.8014 7.8014 8.3892 8.3892 9.1966 9.1966 10.3269 10.3269 11.1275 11.1275 11.1587 11.1587 11.3515 11.3515 11.7484 11.7484 11.9481 11.9481 12.3400 12.3400 12.6947 12.6947 13.2426 13.2426 13.4978 13.4978 13.5328 13.5328 13.6647 13.6647 14.1259 14.1259 14.2038 14.2038 k = 0.5000-0.0412 0.5832 ( 1616 PWs) bands (ev): 4.9774 4.9774 7.8541 7.8541 8.3256 8.3256 9.1856 9.1856 10.3225 10.3225 11.1333 11.1333 11.1617 11.1617 11.3572 11.3572 11.7668 11.7668 11.9295 11.9295 12.3360 12.3360 12.6819 12.6819 13.2682 13.2682 13.4879 13.4879 13.5404 13.5404 13.6473 13.6473 14.1364 14.1364 14.1996 14.1996 k = 0.5000-0.0309 0.5905 ( 1616 PWs) bands (ev): 4.9800 4.9800 7.9084 7.9084 8.2628 8.2628 9.1770 9.1770 10.3191 10.3191 11.1391 11.1391 11.1626 11.1626 11.3618 11.3618 11.7840 11.7840 11.9124 11.9124 12.3329 12.3329 12.6718 12.6718 13.2904 13.2904 13.4779 13.4779 13.5495 13.5495 13.6306 13.6306 14.1457 14.1457 14.1950 14.1950 k = 0.5000-0.0206 0.5978 ( 1616 PWs) bands (ev): 4.9818 4.9818 7.9642 7.9642 8.2009 8.2009 9.1707 9.1707 10.3168 10.3168 11.1447 11.1447 11.1616 11.1616 11.3651 11.3651 11.7992 11.7992 11.8974 11.8974 12.3306 12.3306 12.6646 12.6646 13.3080 13.3080 13.4689 13.4689 13.5600 13.5600 13.6146 13.6146 14.1539 14.1539 14.1903 14.1903 k = 0.5000-0.0103 0.6051 ( 1610 PWs) bands (ev): 4.9830 4.9830 8.0213 8.0213 8.1402 8.1402 9.1669 9.1669 10.3155 10.3155 11.1500 11.1500 11.1593 11.1593 11.3673 11.3673 11.8109 11.8109 11.8861 11.8861 12.3293 12.3293 12.6602 12.6602 13.3198 13.3198 13.4624 13.4624 13.5718 13.5718 13.5996 13.5996 14.1602 14.1602 14.1861 14.1861 k = 0.5000-0.0000 0.6124 ( 1604 PWs) bands (ev): 4.9834 4.9834 8.0746 8.0746 8.0857 8.0857 9.1657 9.1657 10.3150 10.3150 11.1532 11.1532 11.1571 11.1571 11.3681 11.3681 11.8157 11.8157 11.8815 11.8815 12.3289 12.3289 12.6588 12.6588 13.3240 13.3240 13.4600 13.4600 13.5825 13.5825 13.5879 13.5879 14.1628 14.1628 14.1842 14.1842 k = 0.5000-0.0000 0.6124 ( 1604 PWs) bands (ev): 4.9834 4.9834 8.0746 8.0746 8.0857 8.0857 9.1657 9.1657 10.3150 10.3150 11.1532 11.1532 11.1571 11.1571 11.3681 11.3681 11.8157 11.8157 11.8815 11.8815 12.3289 12.3289 12.6588 12.6588 13.3240 13.3240 13.4600 13.4600 13.5825 13.5825 13.5879 13.5879 14.1628 14.1628 14.1842 14.1842 k = 0.4938 0.0108 0.6124 ( 1611 PWs) bands (ev): 4.9826 4.9826 8.0392 8.0392 8.1201 8.1201 9.1686 9.1686 10.3144 10.3144 11.1508 11.1508 11.1589 11.1589 11.3681 11.3681 11.8136 11.8136 11.8841 11.8841 12.3280 12.3280 12.6587 12.6587 13.3218 13.3218 13.4607 13.4607 13.5771 13.5771 13.5965 13.5965 14.1623 14.1623 14.1851 14.1851 k = 0.4875 0.0217 0.6124 ( 1611 PWs) bands (ev): 4.9805 4.9805 8.0007 8.0007 8.1553 8.1553 9.1777 9.1777 10.3127 10.3127 11.1458 11.1458 11.1628 11.1628 11.3687 11.3687 11.8082 11.8082 11.8913 11.8913 12.3254 12.3254 12.6585 12.6585 13.3159 13.3159 13.4617 13.4617 13.5745 13.5745 13.6094 13.6094 14.1626 14.1626 14.1863 14.1863 k = 0.4813 0.0325 0.6124 ( 1611 PWs) bands (ev): 4.9773 4.9773 7.9639 7.9639 8.1859 8.1859 9.1933 9.1933 10.3095 10.3095 11.1392 11.1392 11.1676 11.1676 11.3701 11.3701 11.8008 11.8008 11.9015 11.9015 12.3213 12.3213 12.6579 12.6579 13.3073 13.3073 13.4615 13.4615 13.5766 13.5766 13.6246 13.6246 14.1646 14.1646 14.1873 14.1873 k = 0.4750 0.0433 0.6124 ( 1615 PWs) bands (ev): 4.9731 4.9731 7.9290 7.9290 8.2114 8.2114 9.2152 9.2152 10.3047 10.3047 11.1312 11.1312 11.1734 11.1734 11.3722 11.3722 11.7925 11.7925 11.9135 11.9135 12.3158 12.3158 12.6566 12.6566 13.2969 13.2969 13.4593 13.4593 13.5833 13.5833 13.6419 13.6419 14.1684 14.1684 14.1881 14.1881 k = 0.4688 0.0541 0.6124 ( 1613 PWs) bands (ev): 4.9683 4.9683 7.8961 7.8961 8.2320 8.2320 9.2431 9.2431 10.2981 10.2981 11.1221 11.1221 11.1802 11.1802 11.3755 11.3755 11.7839 11.7839 11.9266 11.9266 12.3093 12.3093 12.6548 12.6548 13.2855 13.2855 13.4551 13.4551 13.5936 13.5936 13.6610 13.6610 14.1726 14.1726 14.1904 14.1904 k = 0.4625 0.0650 0.6124 ( 1609 PWs) bands (ev): 4.9630 4.9630 7.8652 7.8652 8.2478 8.2478 9.2766 9.2766 10.2897 10.2897 11.1121 11.1121 11.1877 11.1877 11.3797 11.3797 11.7753 11.7753 11.9404 11.9404 12.3019 12.3019 12.6524 12.6524 13.2736 13.2736 13.4493 13.4493 13.6065 13.6065 13.6818 13.6818 14.1743 14.1743 14.1971 14.1971 k = 0.4562 0.0758 0.6124 ( 1609 PWs) bands (ev): 4.9574 4.9574 7.8362 7.8362 8.2593 8.2593 9.3147 9.3147 10.2793 10.2793 11.1015 11.1015 11.1960 11.1960 11.3847 11.3847 11.7668 11.7668 11.9546 11.9546 12.2937 12.2937 12.6494 12.6494 13.2614 13.2614 13.4422 13.4422 13.6210 13.6210 13.7041 13.7041 14.1728 14.1728 14.2086 14.2086 k = 0.4500 0.0866 0.6124 ( 1611 PWs) bands (ev): 4.9516 4.9516 7.8093 7.8093 8.2671 8.2671 9.3568 9.3568 10.2667 10.2667 11.0907 11.0907 11.2048 11.2048 11.3903 11.3903 11.7584 11.7584 11.9690 11.9690 12.2852 12.2852 12.6458 12.6458 13.2492 13.2492 13.4342 13.4342 13.6364 13.6364 13.7277 13.7277 14.1694 14.1694 14.2235 14.2235 k = 0.4437 0.0974 0.6124 ( 1613 PWs) bands (ev): 4.9458 4.9458 7.7844 7.7844 8.2719 8.2719 9.4018 9.4018 10.2521 10.2521 11.0798 11.0798 11.2139 11.2139 11.3965 11.3965 11.7503 11.7503 11.9835 11.9835 12.2764 12.2764 12.6418 12.6418 13.2372 13.2372 13.4256 13.4256 13.6522 13.6522 13.7522 13.7522 14.1648 14.1648 14.2409 14.2409 k = 0.4375 0.1083 0.6124 ( 1607 PWs) bands (ev): 4.9400 4.9400 7.7617 7.7617 8.2743 8.2743 9.4488 9.4488 10.2355 10.2355 11.0692 11.0692 11.2232 11.2232 11.4030 11.4030 11.7426 11.7426 11.9978 11.9978 12.2676 12.2676 12.6376 12.6376 13.2258 13.2258 13.4168 13.4168 13.6680 13.6680 13.7777 13.7777 14.1592 14.1592 14.2600 14.2600 k = 0.4313 0.1191 0.6124 ( 1610 PWs) bands (ev): 4.9345 4.9345 7.7410 7.7410 8.2749 8.2749 9.4972 9.4972 10.2166 10.2166 11.0590 11.0590 11.2324 11.2324 11.4096 11.4096 11.7353 11.7353 12.0118 12.0118 12.2589 12.2589 12.6331 12.6331 13.2148 13.2148 13.4077 13.4077 13.6831 13.6831 13.8036 13.8036 14.1525 14.1525 14.2802 14.2802 k = 0.4250 0.1299 0.6124 ( 1612 PWs) bands (ev): 4.9293 4.9293 7.7224 7.7224 8.2742 8.2742 9.5461 9.5461 10.1958 10.1958 11.0494 11.0494 11.2413 11.2413 11.4162 11.4162 11.7283 11.7283 12.0254 12.0254 12.2504 12.2504 12.6286 12.6286 13.2046 13.2046 13.3988 13.3988 13.6975 13.6975 13.8297 13.8297 14.1447 14.1447 14.3006 14.3006 k = 0.4188 0.1407 0.6124 ( 1610 PWs) bands (ev): 4.9246 4.9246 7.7060 7.7060 8.2727 8.2727 9.5948 9.5948 10.1730 10.1730 11.0407 11.0407 11.2496 11.2496 11.4225 11.4225 11.7220 11.7220 12.0384 12.0384 12.2422 12.2422 12.6244 12.6244 13.1953 13.1953 13.3902 13.3902 13.7108 13.7108 13.8557 13.8557 14.1359 14.1359 14.3189 14.3189 k = 0.4125 0.1516 0.6124 ( 1618 PWs) bands (ev): 4.9203 4.9203 7.6918 7.6918 8.2707 8.2707 9.6428 9.6428 10.1482 10.1482 11.0328 11.0328 11.2572 11.2572 11.4285 11.4285 11.7161 11.7161 12.0506 12.0506 12.2345 12.2345 12.6202 12.6202 13.1869 13.1869 13.3822 13.3822 13.7229 13.7229 13.8812 13.8812 14.1259 14.1259 14.3266 14.3266 k = 0.4062 0.1624 0.6124 ( 1614 PWs) bands (ev): 4.9166 4.9166 7.6797 7.6797 8.2686 8.2686 9.6895 9.6895 10.1220 10.1220 11.0260 11.0260 11.2639 11.2639 11.4340 11.4340 11.7110 11.7110 12.0620 12.0620 12.2273 12.2273 12.6167 12.6167 13.1797 13.1797 13.3750 13.3750 13.7334 13.7334 13.9062 13.9062 14.1148 14.1148 14.3268 14.3268 k = 0.4000 0.1732 0.6124 ( 1613 PWs) bands (ev): 4.9134 4.9134 7.6698 7.6698 8.2666 8.2666 9.7339 9.7339 10.0946 10.0946 11.0203 11.0203 11.2696 11.2696 11.4387 11.4387 11.7067 11.7067 12.0721 12.0721 12.2208 12.2208 12.6135 12.6135 13.1737 13.1737 13.3688 13.3688 13.7421 13.7421 13.9301 13.9301 14.1027 14.1027 14.3257 14.3257 k = 0.3937 0.1840 0.6124 ( 1616 PWs) bands (ev): 4.9109 4.9109 7.6621 7.6621 8.2649 8.2649 9.7751 9.7751 10.0668 10.0668 11.0159 11.0159 11.2741 11.2741 11.4425 11.4425 11.7032 11.7032 12.0805 12.0805 12.2152 12.2152 12.6110 12.6110 13.1688 13.1688 13.3638 13.3638 13.7491 13.7491 13.9523 13.9523 14.0898 14.0898 14.3244 14.3244 k = 0.3875 0.1949 0.6124 ( 1616 PWs) bands (ev): 4.9091 4.9091 7.6566 7.6566 8.2635 8.2635 9.8111 9.8111 10.0406 10.0406 11.0126 11.0126 11.2774 11.2774 11.4454 11.4454 11.7007 11.7007 12.0871 12.0871 12.2108 12.2108 12.6091 12.6091 13.1654 13.1654 13.3601 13.3601 13.7542 13.7542 13.9721 13.9721 14.0768 14.0768 14.3234 14.3234 k = 0.3812 0.2057 0.6124 ( 1616 PWs) bands (ev): 4.9080 4.9080 7.6533 7.6533 8.2626 8.2626 9.8379 9.8379 10.0197 10.0197 11.0107 11.0107 11.2794 11.2794 11.4471 11.4471 11.6991 11.6991 12.0913 12.0913 12.2080 12.2080 12.6080 12.6080 13.1633 13.1633 13.3579 13.3579 13.7572 13.7572 13.9874 13.9874 14.0658 14.0658 14.3228 14.3228 k = 0.3750 0.2165 0.6124 ( 1608 PWs) bands (ev): 4.9077 4.9077 7.6522 7.6522 8.2624 8.2624 9.8486 9.8486 10.0112 10.0112 11.0101 11.0101 11.2801 11.2801 11.4477 11.4477 11.6986 11.6986 12.0928 12.0928 12.2071 12.2071 12.6076 12.6076 13.1627 13.1627 13.3572 13.3572 13.7583 13.7583 13.9937 13.9937 14.0610 14.0610 14.3225 14.3226 k = 0.3750 0.2165 0.6124 ( 1608 PWs) bands (ev): 4.9077 4.9077 7.6522 7.6522 8.2624 8.2624 9.8486 9.8486 10.0112 10.0112 11.0101 11.0101 11.2801 11.2801 11.4477 11.4477 11.6986 11.6986 12.0928 12.0928 12.2071 12.2071 12.6076 12.6076 13.1627 13.1627 13.3572 13.3572 13.7583 13.7583 13.9937 13.9937 14.0610 14.0610 14.3225 14.3225 k = 0.3686 0.2128 0.6020 ( 1612 PWs) bands (ev): 4.8997 4.8997 7.7014 7.7014 8.1867 8.1867 9.8770 9.8770 9.9688 9.9688 11.0052 11.0052 11.3105 11.3105 11.4649 11.4649 11.7256 11.7256 12.0592 12.0592 12.1945 12.1945 12.5699 12.5699 13.1999 13.1999 13.3431 13.3431 13.7826 13.7826 13.9967 13.9967 14.0544 14.0544 14.3411 14.3411 k = 0.3623 0.2092 0.5916 ( 1620 PWs) bands (ev): 4.8887 4.8887 7.7526 7.7526 8.1147 8.1147 9.9050 9.9050 9.9276 9.9276 11.0010 11.0010 11.3395 11.3395 11.4803 11.4803 11.7528 11.7528 12.0250 12.0250 12.1829 12.1829 12.5345 12.5345 13.2355 13.2355 13.3298 13.3298 13.8088 13.8088 13.9994 13.9994 14.0466 14.0466 14.3611 14.3611 k = 0.3559 0.2055 0.5812 ( 1604 PWs) bands (ev): 4.8745 4.8745 7.8058 7.8058 8.0472 8.0472 9.8853 9.8853 9.9357 9.9357 10.9976 10.9976 11.3672 11.3672 11.4934 11.4934 11.7803 11.7803 11.9902 11.9902 12.1722 12.1722 12.5023 12.5023 13.2693 13.2693 13.3181 13.3181 13.8367 13.8367 14.0022 14.0022 14.0384 14.0384 14.3826 14.3826 k = 0.3496 0.2018 0.5709 ( 1608 PWs) bands (ev): 4.8566 4.8566 7.8609 7.8609 7.9846 7.9846 9.8452 9.8452 9.9651 9.9651 10.9946 10.9946 11.3935 11.3935 11.5033 11.5033 11.8076 11.8076 11.9550 11.9550 12.1616 12.1616 12.4733 12.4733 13.2983 13.2983 13.3105 13.3105 13.8660 13.8660 14.0045 14.0045 14.0298 14.0298 14.4054 14.4054 k = 0.3432 0.1982 0.5605 ( 1608 PWs) bands (ev): 4.8349 4.8349 7.9154 7.9154 7.9299 7.9299 9.8058 9.8058 9.9948 9.9948 10.9924 10.9924 11.4185 11.4185 11.5094 11.5094 11.8339 11.8339 11.9205 11.9205 12.1512 12.1512 12.4487 12.4487 13.2968 13.2968 13.3333 13.3333 13.8962 13.8962 14.0055 14.0055 14.0232 14.0232 14.4296 14.4296 k = 0.3369 0.1945 0.5501 ( 1608 PWs) bands (ev): 4.8090 4.8090 7.8750 7.8750 7.9777 7.9777 9.7674 9.7674 10.0245 10.0245 10.9909 10.9909 11.4424 11.4424 11.5112 11.5112 11.8519 11.8519 11.8938 11.8938 12.1408 12.1408 12.4289 12.4289 13.2900 13.2900 13.3615 13.3615 13.9249 13.9249 14.0046 14.0046 14.0217 14.0217 14.4551 14.4551 k = 0.3305 0.1908 0.5397 ( 1612 PWs) bands (ev): 4.7787 4.7787 7.8298 7.8298 8.0383 8.0383 9.7299 9.7299 10.0540 10.0540 10.9901 10.9901 11.4652 11.4652 11.5079 11.5079 11.8335 11.8335 11.9030 11.9030 12.1303 12.1303 12.4144 12.4144 13.2848 13.2848 13.3883 13.3883 13.9448 13.9448 14.0065 14.0065 14.0280 14.0280 14.4821 14.4821 k = 0.3242 0.1871 0.5293 ( 1608 PWs) bands (ev): 4.7440 4.7440 7.7908 7.7908 8.1007 8.1007 9.6937 9.6937 10.0831 10.0831 10.9900 10.9900 11.4870 11.4870 11.4997 11.4997 11.7985 11.7985 11.9285 11.9285 12.1197 12.1197 12.4056 12.4056 13.2817 13.2817 13.4136 13.4136 13.9480 13.9480 14.0129 14.0129 14.0487 14.0487 14.5106 14.5107 k = 0.3178 0.1835 0.5190 ( 1608 PWs) bands (ev): 4.7047 4.7047 7.7583 7.7583 8.1646 8.1646 9.6585 9.6585 10.1117 10.1117 10.9905 10.9905 11.4860 11.4860 11.5082 11.5082 11.7608 11.7608 11.9557 11.9557 12.1092 12.1092 12.4024 12.4024 13.2807 13.2807 13.4375 13.4375 13.9402 13.9402 14.0174 14.0174 14.0845 14.0845 14.5407 14.5407 k = 0.3114 0.1798 0.5086 ( 1608 PWs) bands (ev): 4.6610 4.6610 7.7326 7.7326 8.2301 8.2301 9.6245 9.6245 10.1395 10.1395 10.9918 10.9918 11.4674 11.4674 11.5284 11.5284 11.7221 11.7221 11.9822 11.9822 12.0996 12.0996 12.4047 12.4047 13.2817 13.2817 13.4599 13.4599 13.9283 13.9283 14.0206 14.0206 14.1285 14.1285 14.5724 14.5724 k = 0.3051 0.1761 0.4982 ( 1604 PWs) bands (ev): 4.6128 4.6128 7.7135 7.7135 8.2970 8.2970 9.5916 9.5916 10.1665 10.1665 10.9937 10.9937 11.4442 11.4442 11.5478 11.5478 11.6831 11.6831 12.0059 12.0059 12.0930 12.0930 12.4121 12.4121 13.2846 13.2846 13.4812 13.4812 13.9146 13.9146 14.0233 14.0233 14.1775 14.1775 14.6059 14.6059 k = 0.2987 0.1725 0.4878 ( 1604 PWs) bands (ev): 4.5605 4.5605 7.7009 7.7009 8.3651 8.3651 9.5600 9.5600 10.1924 10.1924 10.9963 10.9963 11.4168 11.4168 11.5653 11.5653 11.6446 11.6446 12.0216 12.0216 12.0943 12.0943 12.4238 12.4238 13.2895 13.2895 13.5010 13.5010 13.9002 13.9002 14.0256 14.0256 14.2306 14.2306 14.6412 14.6412 k = 0.2924 0.1688 0.4774 ( 1610 PWs) bands (ev): 4.5041 4.5041 7.6948 7.6948 8.4342 8.4342 9.5297 9.5297 10.2170 10.2170 10.9995 10.9995 11.3860 11.3860 11.5752 11.5752 11.6122 11.6122 12.0246 12.0246 12.1084 12.1084 12.4391 12.4391 13.2959 13.2959 13.5196 13.5196 13.8854 13.8854 14.0276 14.0276 14.2875 14.2875 14.6784 14.6784 k = 0.2860 0.1651 0.4671 ( 1610 PWs) bands (ev): 4.4441 4.4441 7.6949 7.6949 8.5044 8.5044 9.5007 9.5007 10.2403 10.2403 11.0034 11.0034 11.3524 11.3524 11.5527 11.5527 11.6110 11.6110 12.0191 12.0191 12.1321 12.1321 12.4575 12.4575 13.3040 13.3040 13.5371 13.5371 13.8706 13.8706 14.0293 14.0293 14.3480 14.3480 14.7177 14.7177 k = 0.2797 0.1615 0.4567 ( 1610 PWs) bands (ev): 4.3807 4.3807 7.7009 7.7009 8.5753 8.5753 9.4731 9.4731 10.2619 10.2619 11.0080 11.0080 11.3168 11.3168 11.5142 11.5142 11.6240 11.6240 12.0107 12.0107 12.1599 12.1599 12.4782 12.4782 13.3136 13.3136 13.5535 13.5535 13.8559 13.8559 14.0308 14.0308 14.4120 14.4120 14.7593 14.7593 k = 0.2733 0.1578 0.4463 ( 1608 PWs) bands (ev): 4.3144 4.3144 7.7125 7.7125 8.6468 8.6468 9.4469 9.4469 10.2819 10.2819 11.0131 11.0131 11.2797 11.2797 11.4733 11.4733 11.6372 11.6372 12.0028 12.0028 12.1896 12.1896 12.5005 12.5005 13.3243 13.3243 13.5688 13.5688 13.8416 13.8416 14.0321 14.0321 14.4793 14.4793 14.8031 14.8031 k = 0.2669 0.1541 0.4359 ( 1602 PWs) bands (ev): 4.2455 4.2455 7.7294 7.7294 8.7187 8.7187 9.4221 9.4221 10.3000 10.3000 11.0189 11.0189 11.2417 11.2417 11.4317 11.4317 11.6483 11.6483 11.9971 11.9971 12.2203 12.2203 12.5239 12.5239 13.3360 13.3360 13.5832 13.5832 13.8281 13.8281 14.0332 14.0332 14.5499 14.5499 14.8494 14.8494 k = 0.2606 0.1505 0.4255 ( 1606 PWs) bands (ev): 4.1744 4.1744 7.7511 7.7511 8.7907 8.7907 9.3986 9.3986 10.3161 10.3161 11.0253 11.0253 11.2034 11.2034 11.3894 11.3894 11.6561 11.6561 11.9950 11.9950 12.2514 12.2514 12.5476 12.5476 13.3484 13.3484 13.5964 13.5964 13.8150 13.8150 14.0340 14.0340 14.6236 14.6236 14.8982 14.8982 k = 0.2542 0.1468 0.4152 ( 1604 PWs) bands (ev): 4.1014 4.1014 7.7774 7.7774 8.8626 8.8626 9.3765 9.3765 10.3302 10.3302 11.0322 11.0322 11.1655 11.1655 11.3469 11.3469 11.6603 11.6603 11.9977 11.9977 12.2829 12.2829 12.5713 12.5713 13.3615 13.3615 13.6088 13.6088 13.8030 13.8030 14.0344 14.0344 14.7002 14.7002 14.9497 14.9497 k = 0.2479 0.1431 0.4048 ( 1604 PWs) bands (ev): 4.0271 4.0271 7.8078 7.8078 8.9341 8.9341 9.3558 9.3558 10.3419 10.3419 11.0396 11.0396 11.1282 11.1282 11.3040 11.3040 11.6603 11.6603 12.0058 12.0058 12.3147 12.3147 12.5946 12.5946 13.3751 13.3751 13.6204 13.6204 13.7920 13.7920 14.0346 14.0346 14.7796 14.7796 15.0040 15.0040 k = 0.2415 0.1394 0.3944 ( 1604 PWs) bands (ev): 3.9516 3.9516 7.8421 7.8421 9.0049 9.0049 9.3366 9.3366 10.3514 10.3514 11.0470 11.0470 11.0926 11.0926 11.2609 11.2609 11.6562 11.6562 12.0194 12.0194 12.3466 12.3466 12.6171 12.6171 13.3891 13.3891 13.6312 13.6312 13.7823 13.7823 14.0344 14.0344 14.8614 14.8614 15.0612 15.0612 k = 0.2352 0.1358 0.3840 ( 1602 PWs) bands (ev): 3.8755 3.8755 7.8798 7.8798 9.0745 9.0745 9.3189 9.3189 10.3585 10.3585 11.0483 11.0483 11.0651 11.0651 11.2177 11.2177 11.6487 11.6487 12.0383 12.0383 12.3786 12.3786 12.6386 12.6386 13.4034 13.4034 13.6412 13.6412 13.7739 13.7739 14.0338 14.0338 14.9455 14.9455 15.1214 15.1214 k = 0.2288 0.1321 0.3737 ( 1594 PWs) bands (ev): 3.7989 3.7989 7.9206 7.9206 9.1425 9.1425 9.3027 9.3027 10.3635 10.3635 11.0219 11.0219 11.0680 11.0680 11.1743 11.1743 11.6384 11.6384 12.0619 12.0619 12.4107 12.4107 12.6589 12.6589 13.4179 13.4179 13.6504 13.6504 13.7669 13.7669 14.0332 14.0332 15.0315 15.0315 15.1848 15.1848 k = 0.2225 0.1284 0.3633 ( 1594 PWs) bands (ev): 3.7221 3.7221 7.9643 7.9643 9.2084 9.2084 9.2881 9.2881 10.3658 10.3658 10.9925 10.9925 11.0769 11.0769 11.1308 11.1308 11.6261 11.6261 12.0893 12.0893 12.4428 12.4428 12.6774 12.6774 13.4325 13.4325 13.6587 13.6587 13.7615 13.7615 14.0321 14.0321 15.1192 15.1192 15.2512 15.2512 k = 0.2161 0.1248 0.3529 ( 1594 PWs) bands (ev): 3.6455 3.6455 8.0105 8.0105 9.2671 9.2671 9.2796 9.2796 10.3658 10.3658 10.9656 10.9656 11.0826 11.0826 11.0912 11.0912 11.6126 11.6126 12.1202 12.1202 12.4749 12.4749 12.6943 12.6943 13.4471 13.4471 13.6665 13.6665 13.7576 13.7576 14.0305 14.0305 15.2081 15.2081 15.3207 15.3207 k = 0.2097 0.1211 0.3425 ( 1602 PWs) bands (ev): 3.5693 3.5693 8.0588 8.0588 9.2616 9.2616 9.3335 9.3335 10.3634 10.3634 10.9418 10.9418 11.0425 11.0425 11.0980 11.0980 11.5985 11.5985 12.1540 12.1540 12.5068 12.5068 12.7096 12.7096 13.4616 13.4616 13.6737 13.6737 13.7549 13.7549 14.0286 14.0286 15.2980 15.2980 15.3933 15.3933 k = 0.2034 0.1174 0.3321 ( 1600 PWs) bands (ev): 3.4937 3.4937 8.1092 8.1092 9.2513 9.2513 9.3900 9.3900 10.3587 10.3587 10.9222 10.9222 10.9988 10.9988 11.1087 11.1087 11.5844 11.5844 12.1902 12.1902 12.5387 12.5387 12.7235 12.7235 13.4762 13.4762 13.6804 13.6804 13.7538 13.7538 14.0263 14.0263 15.3885 15.3885 15.4693 15.4693 k = 0.1970 0.1138 0.3218 ( 1608 PWs) bands (ev): 3.4190 3.4190 8.1612 8.1612 9.2423 9.2423 9.4425 9.4425 10.3518 10.3518 10.9068 10.9068 10.9550 10.9550 11.1200 11.1200 11.5703 11.5703 12.2284 12.2284 12.5703 12.5703 12.7359 12.7359 13.4907 13.4907 13.6866 13.6866 13.7539 13.7539 14.0235 14.0235 15.4791 15.4791 15.5484 15.5484 k = 0.1907 0.1101 0.3114 ( 1604 PWs) bands (ev): 3.3453 3.3453 8.2148 8.2148 9.2348 9.2348 9.4901 9.4901 10.3429 10.3429 10.8954 10.8954 10.9125 10.9125 11.1318 11.1318 11.5568 11.5568 12.2684 12.2684 12.6019 12.6019 12.7471 12.7471 13.5050 13.5050 13.6926 13.6926 13.7551 13.7551 14.0204 14.0204 15.5694 15.5694 15.6305 15.6305 k = 0.1843 0.1064 0.3010 ( 1604 PWs) bands (ev): 3.2728 3.2728 8.2695 8.2695 9.2286 9.2286 9.5323 9.5323 10.3321 10.3321 10.8652 10.8652 10.8941 10.8941 11.1437 11.1437 11.5439 11.5439 12.3098 12.3098 12.6332 12.6332 12.7574 12.7574 13.5192 13.5192 13.6984 13.6984 13.7573 13.7573 14.0169 14.0169 15.6590 15.6590 15.7155 15.7155 k = 0.1780 0.1027 0.2906 ( 1604 PWs) bands (ev): 3.2017 3.2017 8.3252 8.3252 9.2239 9.2239 9.5687 9.5687 10.3194 10.3194 10.8220 10.8220 10.8945 10.8945 11.1560 11.1560 11.5318 11.5318 12.3524 12.3524 12.6641 12.6641 12.7671 12.7671 13.5332 13.5332 13.7040 13.7040 13.7601 13.7601 14.0130 14.0130 15.7473 15.7473 15.8034 15.8034 k = 0.1716 0.0991 0.2802 ( 1604 PWs) bands (ev): 3.1320 3.1320 8.3817 8.3817 9.2206 9.2206 9.5990 9.5990 10.3051 10.3051 10.7782 10.7782 10.9010 10.9010 11.1684 11.1684 11.5205 11.5205 12.3961 12.3961 12.6947 12.6947 12.7766 12.7766 13.5469 13.5469 13.7095 13.7095 13.7636 13.7636 14.0086 14.0086 15.8338 15.8338 15.8939 15.8939 k = 0.1653 0.0954 0.2699 ( 1604 PWs) bands (ev): 3.0641 3.0641 8.4387 8.4387 9.2187 9.2187 9.6231 9.6231 10.2894 10.2894 10.7345 10.7345 10.9132 10.9132 11.1811 11.1811 11.5100 11.5100 12.4405 12.4405 12.7245 12.7245 12.7864 12.7864 13.5604 13.5604 13.7148 13.7148 13.7676 13.7676 14.0039 14.0039 15.9178 15.9178 15.9871 15.9871 k = 0.1589 0.0917 0.2595 ( 1604 PWs) bands (ev): 2.9979 2.9979 8.4961 8.4961 9.2182 9.2182 9.6413 9.6413 10.2724 10.2724 10.6909 10.6909 10.9307 10.9307 11.1938 11.1938 11.5003 11.5003 12.4854 12.4854 12.7532 12.7532 12.7974 12.7974 13.5737 13.5737 13.7199 13.7199 13.7719 13.7719 13.9987 13.9987 15.9990 15.9990 16.0827 16.0827 k = 0.1525 0.0881 0.2491 ( 1600 PWs) bands (ev): 2.9336 2.9336 8.5537 8.5537 9.2191 9.2191 9.6538 9.6538 10.2543 10.2543 10.6474 10.6474 10.9529 10.9529 11.2067 11.2067 11.4915 11.4915 12.5307 12.5307 12.7792 12.7792 12.8113 12.8113 13.5866 13.5866 13.7248 13.7248 13.7765 13.7765 13.9930 13.9930 16.0768 16.0768 16.1806 16.1806 k = 0.1462 0.0844 0.2387 ( 1600 PWs) bands (ev): 2.8713 2.8713 8.6111 8.6111 9.2214 9.2214 9.6612 9.6612 10.2353 10.2353 10.6042 10.6042 10.9789 10.9789 11.2194 11.2194 11.4834 11.4834 12.5762 12.5762 12.8001 12.8001 12.8308 12.8308 13.5992 13.5992 13.7293 13.7293 13.7813 13.7813 13.9870 13.9870 16.1507 16.1507 16.2803 16.2803 k = 0.1398 0.0807 0.2283 ( 1600 PWs) bands (ev): 2.8111 2.8111 8.6683 8.6683 9.2250 9.2250 9.6641 9.6641 10.2156 10.2156 10.5612 10.5612 11.0079 11.0079 11.2323 11.2323 11.4761 11.4761 12.6216 12.6216 12.8167 12.8167 12.8556 12.8556 13.6115 13.6115 13.7336 13.7336 13.7863 13.7863 13.9805 13.9805 16.2206 16.2206 16.3816 16.3816 k = 0.1335 0.0771 0.2180 ( 1600 PWs) bands (ev): 2.7531 2.7531 8.7250 8.7250 9.2299 9.2299 9.6631 9.6631 10.1953 10.1953 10.5184 10.5184 11.0389 11.0389 11.2450 11.2450 11.4694 11.4694 12.6667 12.6667 12.8323 12.8323 12.8827 12.8827 13.6234 13.6234 13.7375 13.7375 13.7913 13.7913 13.9736 13.9736 16.2864 16.2864 16.4841 16.4841 k = 0.1271 0.0734 0.2076 ( 1596 PWs) bands (ev): 2.6973 2.6973 8.7811 8.7811 9.2361 9.2361 9.6589 9.6589 10.1745 10.1745 10.4760 10.4760 11.0713 11.0713 11.2578 11.2578 11.4633 11.4633 12.7112 12.7112 12.8489 12.8489 12.9105 12.9105 13.6351 13.6351 13.7411 13.7411 13.7963 13.7963 13.9664 13.9664 16.3479 16.3479 16.5873 16.5873 k = 0.1208 0.0697 0.1972 ( 1600 PWs) bands (ev): 2.6438 2.6438 8.8365 8.8365 9.2435 9.2435 9.6520 9.6520 10.1535 10.1535 10.4339 10.4339 11.1041 11.1041 11.2702 11.2702 11.4577 11.4577 12.7548 12.7548 12.8671 12.8671 12.9382 12.9382 13.6462 13.6462 13.7443 13.7443 13.8009 13.8009 13.9587 13.9587 16.4056 16.4056 16.6907 16.6907 k = 0.1144 0.0661 0.1868 ( 1600 PWs) bands (ev): 2.5928 2.5928 8.8908 8.8908 9.2522 9.2522 9.6433 9.6433 10.1324 10.1324 10.3923 10.3923 11.1366 11.1366 11.2825 11.2825 11.4527 11.4527 12.7971 12.7971 12.8875 12.8875 12.9656 12.9656 13.6570 13.6570 13.7472 13.7472 13.8055 13.8055 13.9507 13.9507 16.4595 16.4595 16.7936 16.7936 k = 0.1081 0.0624 0.1764 ( 1596 PWs) bands (ev): 2.5442 2.5442 8.9439 8.9439 9.2622 9.2622 9.6330 9.6330 10.1113 10.1113 10.3512 10.3512 11.1681 11.1681 11.2945 11.2945 11.4481 11.4481 12.8378 12.8378 12.9106 12.9106 12.9927 12.9927 13.6674 13.6674 13.7498 13.7498 13.8098 13.8098 13.9423 13.9423 16.5102 16.5102 16.8954 16.8954 k = 0.1017 0.0587 0.1661 ( 1592 PWs) bands (ev): 2.4981 2.4981 8.9958 8.9958 9.2732 9.2732 9.6218 9.6218 10.0903 10.0903 10.3106 10.3106 11.1983 11.1983 11.3061 11.3061 11.4440 11.4440 12.8762 12.8762 12.9364 12.9364 13.0194 13.0194 13.6773 13.6773 13.7522 13.7522 13.8138 13.8138 13.9338 13.9338 16.5581 16.5581 16.9952 16.9952 k = 0.0953 0.0550 0.1557 ( 1592 PWs) bands (ev): 2.4546 2.4546 9.0460 9.0460 9.2854 9.2854 9.6098 9.6098 10.0695 10.0695 10.2706 10.2706 11.2265 11.2265 11.3174 11.3174 11.4402 11.4402 12.9121 12.9121 12.9648 12.9648 13.0456 13.0456 13.6869 13.6869 13.7543 13.7543 13.8174 13.8174 13.9249 13.9249 16.6038 16.6038 17.0921 17.0921 k = 0.0890 0.0514 0.1453 ( 1588 PWs) bands (ev): 2.4137 2.4137 9.0947 9.0947 9.2986 9.2986 9.5977 9.5977 10.0491 10.0491 10.2313 10.2313 11.2527 11.2527 11.3282 11.3282 11.4369 11.4369 12.9459 12.9459 12.9952 12.9952 13.0713 13.0713 13.6960 13.6960 13.7561 13.7561 13.8205 13.8205 13.9158 13.9158 16.6480 16.6480 17.1850 17.1850 k = 0.0826 0.0477 0.1349 ( 1592 PWs) bands (ev): 2.3754 2.3754 9.1414 9.1414 9.3127 9.3127 9.5854 9.5854 10.0290 10.0290 10.1927 10.1927 11.2764 11.2764 11.3386 11.3386 11.4339 11.4339 12.9780 12.9780 13.0264 13.0264 13.0965 13.0965 13.7046 13.7046 13.7577 13.7577 13.8229 13.8229 13.9064 13.9064 16.6911 16.6911 17.2729 17.2729 k = 0.0763 0.0440 0.1246 ( 1593 PWs) bands (ev): 2.3398 2.3398 9.1862 9.1862 9.3278 9.3278 9.5733 9.5733 10.0094 10.0094 10.1550 10.1550 11.2978 11.2978 11.3484 11.3484 11.4311 11.4311 13.0091 13.0091 13.0571 13.0571 13.1212 13.1212 13.7128 13.7128 13.7592 13.7592 13.8249 13.8249 13.8971 13.8971 16.7338 16.7338 17.3545 17.3545 k = 0.0699 0.0404 0.1142 ( 1589 PWs) bands (ev): 2.3070 2.3070 9.2288 9.2288 9.3437 9.3437 9.5616 9.5616 9.9904 9.9904 10.1183 10.1183 11.3168 11.3168 11.3578 11.3578 11.4289 11.4289 13.0396 13.0396 13.0863 13.0863 13.1456 13.1456 13.7205 13.7205 13.7606 13.7606 13.8262 13.8262 13.8878 13.8878 16.7765 16.7765 17.4288 17.4288 k = 0.0636 0.0367 0.1038 ( 1589 PWs) bands (ev): 2.2769 2.2769 9.2691 9.2691 9.3602 9.3602 9.5505 9.5505 9.9720 9.9720 10.0827 10.0827 11.3332 11.3332 11.3663 11.3663 11.4270 11.4270 13.0692 13.0692 13.1134 13.1134 13.1695 13.1695 13.7278 13.7278 13.7617 13.7617 13.8271 13.8271 13.8785 13.8785 16.8195 16.8195 17.4948 17.4948 k = 0.0572 0.0330 0.0934 ( 1599 PWs) bands (ev): 2.2496 2.2496 9.3067 9.3067 9.3771 9.3771 9.5400 9.5400 9.9544 9.9544 10.0483 10.0483 11.3473 11.3473 11.3740 11.3740 11.4258 11.4258 13.0979 13.0979 13.1380 13.1380 13.1927 13.1927 13.7345 13.7345 13.7626 13.7626 13.8272 13.8272 13.8692 13.8692 16.8631 16.8631 17.5519 17.5519 k = 0.0508 0.0294 0.0830 ( 1605 PWs) bands (ev): 2.2250 2.2250 9.3416 9.3416 9.3942 9.3942 9.5304 9.5304 9.9375 9.9375 10.0155 10.0155 11.3591 11.3591 11.3807 11.3807 11.4253 11.4253 13.1253 13.1253 13.1599 13.1599 13.2150 13.2150 13.7407 13.7407 13.7633 13.7633 13.8269 13.8269 13.8602 13.8602 16.9072 16.9072 17.5999 17.5999 k = 0.0445 0.0257 0.0727 ( 1603 PWs) bands (ev): 2.2034 2.2034 9.3737 9.3737 9.4116 9.4116 9.5217 9.5217 9.9218 9.9218 9.9844 9.9844 11.3690 11.3690 11.3863 11.3863 11.4255 11.4255 13.1506 13.1506 13.1791 13.1791 13.2361 13.2361 13.7464 13.7464 13.7641 13.7641 13.8262 13.8262 13.8520 13.8520 16.9519 16.9519 17.6389 17.6389 k = 0.0381 0.0220 0.0623 ( 1615 PWs) bands (ev): 2.1846 2.1846 9.4026 9.4026 9.4287 9.4287 9.5140 9.5140 9.9070 9.9070 9.9552 9.9552 11.3769 11.3769 11.3905 11.3905 11.4264 11.4264 13.1735 13.1735 13.1955 13.1955 13.2553 13.2553 13.7514 13.7514 13.7646 13.7646 13.8252 13.8252 13.8440 13.8440 16.9967 16.9967 17.6696 17.6696 k = 0.0318 0.0183 0.0519 ( 1629 PWs) bands (ev): 2.1686 2.1686 9.4278 9.4278 9.4451 9.4451 9.5071 9.5071 9.8936 9.8936 9.9288 9.9288 11.3833 11.3833 11.3933 11.3933 11.4278 11.4278 13.1936 13.1936 13.2095 13.2095 13.2725 13.2725 13.7557 13.7557 13.7650 13.7650 13.8239 13.8239 13.8369 13.8369 17.0409 17.0409 17.6927 17.6927 k = 0.0254 0.0147 0.0415 ( 1633 PWs) bands (ev): 2.1555 2.1555 9.4493 9.4493 9.4602 9.4602 9.5018 9.5018 9.8820 9.8820 9.9055 9.9055 11.3884 11.3884 11.3951 11.3951 11.4297 11.4297 13.2105 13.2105 13.2210 13.2210 13.2872 13.2872 13.7594 13.7594 13.7654 13.7654 13.8226 13.8226 13.8310 13.8310 17.0831 17.0831 17.7094 17.7094 k = 0.0191 0.0110 0.0311 ( 1633 PWs) bands (ev): 2.1454 2.1454 9.4663 9.4663 9.4734 9.4734 9.4979 9.4979 9.8723 9.8723 9.8862 9.8862 11.3922 11.3922 11.3962 11.3962 11.4315 11.4315 13.2240 13.2240 13.2300 13.2300 13.2992 13.2992 13.7623 13.7623 13.7657 13.7657 13.8214 13.8214 13.8262 13.8262 17.1214 17.1214 17.7201 17.7201 k = 0.0127 0.0073 0.0208 ( 1639 PWs) bands (ev): 2.1381 2.1381 9.4785 9.4785 9.4833 9.4833 9.4958 9.4958 9.8649 9.8649 9.8713 9.8713 11.3949 11.3949 11.3967 11.3967 11.4330 11.4330 13.2336 13.2336 13.2364 13.2364 13.3079 13.3079 13.7644 13.7644 13.7659 13.7659 13.8205 13.8205 13.8226 13.8226 17.1529 17.1529 17.7255 17.7255 k = 0.0064 0.0037 0.0104 ( 1639 PWs) bands (ev): 2.1337 2.1337 9.4859 9.4859 9.4877 9.4877 9.4966 9.4966 9.8604 9.8604 9.8620 9.8620 11.3965 11.3965 11.3969 11.3969 11.4340 11.4340 13.2396 13.2396 13.2403 13.2403 13.3133 13.3133 13.7657 13.7657 13.7661 13.7661 13.8199 13.8199 13.8204 13.8204 17.1741 17.1741 17.7262 17.7262 k = 0.0000 0.0000 0.0000 ( 1639 PWs) bands (ev): 2.1323 2.1323 9.4883 9.4883 9.4883 9.4883 9.4978 9.4978 9.8589 9.8589 9.8589 9.8589 11.3970 11.3970 11.3970 11.3970 11.4344 11.4344 13.2416 13.2416 13.2416 13.2416 13.3151 13.3151 13.7661 13.7661 13.7661 13.7661 13.8196 13.8196 13.8196 13.8196 17.1816 17.1816 17.7248 17.7248 k = 0.0000 0.0000 0.0000 ( 1639 PWs) bands (ev): 2.1323 2.1323 9.4883 9.4883 9.4883 9.4883 9.4978 9.4978 9.8589 9.8589 9.8589 9.8589 11.3970 11.3970 11.3970 11.3970 11.4344 11.4344 13.2416 13.2416 13.2416 13.2416 13.3151 13.3151 13.7661 13.7661 13.7661 13.7661 13.8196 13.8196 13.8196 13.8196 17.1816 17.1816 17.7248 17.7248 k = 0.0102 0.0059 0.0042 ( 1639 PWs) bands (ev): 2.1337 2.1337 9.4868 9.4868 9.4871 9.4871 9.4964 9.4964 9.8611 9.8611 9.8612 9.8612 11.3967 11.3967 11.3968 11.3968 11.4340 11.4340 13.2396 13.2396 13.2403 13.2403 13.3134 13.3134 13.7659 13.7659 13.7659 13.7659 13.8200 13.8200 13.8202 13.8202 17.1743 17.1743 17.7263 17.7263 k = 0.0204 0.0118 0.0083 ( 1639 PWs) bands (ev): 2.1379 2.1379 9.4822 9.4822 9.4835 9.4835 9.4923 9.4923 9.8678 9.8678 9.8680 9.8680 11.3956 11.3956 11.3961 11.3961 11.4330 11.4330 13.2337 13.2337 13.2367 13.2367 13.3081 13.3081 13.7651 13.7651 13.7653 13.7653 13.8212 13.8212 13.8218 13.8218 17.1538 17.1538 17.7267 17.7267 k = 0.0306 0.0177 0.0125 ( 1633 PWs) bands (ev): 2.1449 2.1449 9.4743 9.4743 9.4778 9.4778 9.4859 9.4859 9.8787 9.8787 9.8791 9.8791 11.3939 11.3939 11.3949 11.3949 11.4314 11.4314 13.2241 13.2241 13.2308 13.2308 13.2997 13.2997 13.7638 13.7638 13.7643 13.7643 13.8231 13.8231 13.8243 13.8243 17.1232 17.1232 17.7247 17.7247 k = 0.0408 0.0236 0.0167 ( 1630 PWs) bands (ev): 2.1548 2.1548 9.4632 9.4632 9.4703 9.4703 9.4778 9.4778 9.8933 9.8933 9.8939 9.8939 11.3913 11.3913 11.3934 11.3934 11.4291 11.4291 13.2105 13.2105 13.2227 13.2227 13.2883 13.2883 13.7621 13.7621 13.7630 13.7630 13.8256 13.8256 13.8277 13.8277 17.0858 17.0858 17.7212 17.7213 k = 0.0510 0.0295 0.0208 ( 1630 PWs) bands (ev): 2.1674 2.1674 9.4486 9.4486 9.4616 9.4616 9.4685 9.4685 9.9112 9.9112 9.9120 9.9120 11.3878 11.3878 11.3913 11.3913 11.4261 11.4261 13.1931 13.1931 13.2122 13.2122 13.2740 13.2740 13.7599 13.7599 13.7613 13.7613 13.8286 13.8286 13.8317 13.8317 17.0444 17.0444 17.7166 17.7169 k = 0.0612 0.0353 0.0250 ( 1615 PWs) bands (ev): 2.1828 2.1828 9.4310 9.4310 9.4521 9.4521 9.4586 9.4586 9.9321 9.9321 9.9332 9.9332 11.3834 11.3834 11.3889 11.3889 11.4225 11.4225 13.1722 13.1722 13.1998 13.1998 13.2575 13.2575 13.7573 13.7573 13.7594 13.7594 13.8322 13.8322 13.8363 13.8363 17.0006 17.0006 17.7109 17.7111 k = 0.0714 0.0412 0.0292 ( 1603 PWs) bands (ev): 2.2010 2.2010 9.4098 9.4098 9.4419 9.4419 9.4482 9.4482 9.9554 9.9554 9.9569 9.9569 11.3778 11.3778 11.3862 11.3862 11.4183 11.4183 13.1479 13.1479 13.1854 13.1854 13.2389 13.2389 13.7543 13.7543 13.7573 13.7573 13.8364 13.8364 13.8414 13.8414 16.9554 16.9554 17.7046 17.7049 k = 0.0816 0.0471 0.0333 ( 1600 PWs) bands (ev): 2.2220 2.2220 9.3852 9.3852 9.4315 9.4315 9.4377 9.4377 9.9808 9.9808 9.9826 9.9826 11.3705 11.3705 11.3830 11.3830 11.4136 11.4136 13.1206 13.1206 13.1691 13.1691 13.2184 13.2184 13.7509 13.7509 13.7549 13.7549 13.8405 13.8405 13.8466 13.8466 16.9091 16.9091 17.6974 17.6977 k = 0.0918 0.0530 0.0375 ( 1600 PWs) bands (ev): 2.2456 2.2456 9.3573 9.3573 9.4211 9.4211 9.4271 9.4271 10.0080 10.0080 10.0102 10.0102 11.3617 11.3617 11.3794 11.3794 11.4084 11.4084 13.0910 13.0910 13.1510 13.1510 13.1963 13.1963 13.7472 13.7472 13.7523 13.7523 13.8446 13.8446 13.8515 13.8515 16.8616 16.8616 17.6882 17.6895 k = 0.1020 0.0589 0.0417 ( 1606 PWs) bands (ev): 2.2720 2.2720 9.3263 9.3263 9.4108 9.4108 9.4168 9.4168 10.0369 10.0369 10.0394 10.0394 11.3510 11.3510 11.3754 11.3754 11.4028 11.4028 13.0595 13.0595 13.1314 13.1314 13.1727 13.1727 13.7429 13.7429 13.7493 13.7493 13.8487 13.8487 13.8563 13.8563 16.8124 16.8124 17.6769 17.6787 k = 0.1122 0.0648 0.0458 ( 1606 PWs) bands (ev): 2.3012 2.3012 9.2920 9.2920 9.4008 9.4008 9.4068 9.4068 10.0672 10.0672 10.0701 10.0701 11.3384 11.3384 11.3712 11.3712 11.3971 11.3971 13.0268 13.0268 13.1103 13.1103 13.1480 13.1480 13.7385 13.7385 13.7463 13.7463 13.8526 13.8526 13.8608 13.8608 16.7609 16.7609 17.6655 17.6662 k = 0.1224 0.0707 0.0500 ( 1594 PWs) bands (ev): 2.3329 2.3329 9.2547 9.2547 9.3915 9.3915 9.3975 9.3975 10.0989 10.0989 10.1022 10.1022 11.3237 11.3237 11.3668 11.3668 11.3915 11.3915 12.9933 12.9933 13.0880 13.0880 13.1221 13.1221 13.7341 13.7341 13.7433 13.7433 13.8564 13.8564 13.8651 13.8651 16.7061 16.7061 17.6537 17.6540 k = 0.1327 0.0766 0.0542 ( 1594 PWs) bands (ev): 2.3673 2.3673 9.2141 9.2141 9.3825 9.3825 9.3886 9.3886 10.1316 10.1316 10.1353 10.1353 11.3067 11.3067 11.3622 11.3622 11.3856 11.3856 12.9596 12.9596 13.0644 13.0644 13.0951 13.0951 13.7293 13.7293 13.7401 13.7401 13.8598 13.8598 13.8687 13.8687 16.6470 16.6470 17.6417 17.6418 k = 0.1429 0.0825 0.0583 ( 1594 PWs) bands (ev): 2.4044 2.4044 9.1703 9.1703 9.3742 9.3742 9.3804 9.3804 10.1652 10.1652 10.1694 10.1694 11.2877 11.2877 11.3573 11.3573 11.3796 11.3796 12.9263 12.9263 13.0396 13.0396 13.0672 13.0672 13.7243 13.7243 13.7368 13.7368 13.8627 13.8627 13.8717 13.8717 16.5826 16.5826 17.6296 17.6296 k = 0.1531 0.0884 0.0625 ( 1588 PWs) bands (ev): 2.4439 2.4439 9.1233 9.1233 9.3665 9.3665 9.3728 9.3728 10.1998 10.1998 10.2044 10.2044 11.2666 11.2666 11.3523 11.3523 11.3737 11.3737 12.8937 12.8937 13.0139 13.0139 13.0384 13.0384 13.7193 13.7193 13.7336 13.7336 13.8654 13.8654 13.8742 13.8742 16.5123 16.5123 17.6175 17.6176 k = 0.1633 0.0943 0.0667 ( 1591 PWs) bands (ev): 2.4861 2.4861 9.0728 9.0728 9.3594 9.3594 9.3659 9.3659 10.2350 10.2350 10.2401 10.2401 11.2437 11.2437 11.3473 11.3473 11.3677 11.3677 12.8623 12.8623 12.9873 12.9873 13.0090 13.0090 13.7142 13.7142 13.7302 13.7302 13.8673 13.8673 13.8758 13.8758 16.4352 16.4352 17.6055 17.6056 k = 0.1735 0.1002 0.0708 ( 1591 PWs) bands (ev): 2.5307 2.5307 9.0192 9.0192 9.3531 9.3531 9.3597 9.3597 10.2709 10.2709 10.2765 10.2765 11.2192 11.2192 11.3422 11.3422 11.3618 11.3618 12.8322 12.8322 12.9597 12.9597 12.9789 12.9789 13.7090 13.7090 13.7269 13.7269 13.8688 13.8688 13.8767 13.8767 16.3517 16.3517 17.5937 17.5937 k = 0.1837 0.1060 0.0750 ( 1594 PWs) bands (ev): 2.5777 2.5777 8.9623 8.9623 9.3474 9.3474 9.3542 9.3542 10.3073 10.3073 10.3134 10.3134 11.1933 11.1933 11.3371 11.3371 11.3559 11.3559 12.8035 12.8035 12.9314 12.9314 12.9482 12.9482 13.7037 13.7037 13.7236 13.7236 13.8695 13.8695 13.8767 13.8767 16.2619 16.2619 17.5823 17.5823 k = 0.1939 0.1119 0.0792 ( 1600 PWs) bands (ev): 2.6272 2.6272 8.9021 8.9021 9.3425 9.3425 9.3495 9.3495 10.3440 10.3440 10.3507 10.3507 11.1666 11.1666 11.3318 11.3318 11.3500 11.3500 12.7764 12.7764 12.9023 12.9023 12.9170 12.9170 13.6985 13.6985 13.7203 13.7203 13.8696 13.8696 13.8759 13.8759 16.1663 16.1663 17.5704 17.5711 k = 0.2041 0.1178 0.0833 ( 1606 PWs) bands (ev): 2.6789 2.6789 8.8385 8.8385 9.3382 9.3382 9.3454 9.3454 10.3810 10.3810 10.3883 10.3883 11.1393 11.1393 11.3269 11.3269 11.3445 11.3445 12.7507 12.7507 12.8727 12.8727 12.8857 12.8857 13.6934 13.6934 13.7171 13.7171 13.8692 13.8692 13.8743 13.8743 16.0657 16.0657 17.5466 17.5466 k = 0.2143 0.1237 0.0875 ( 1606 PWs) bands (ev): 2.7330 2.7330 8.7715 8.7715 9.3346 9.3346 9.3420 9.3420 10.4183 10.4183 10.4261 10.4261 11.1121 11.1121 11.3221 11.3221 11.3392 11.3392 12.7265 12.7265 12.8427 12.8427 12.8543 12.8543 13.6883 13.6883 13.7140 13.7140 13.8681 13.8681 13.8719 13.8719 15.9612 15.9612 17.5288 17.5288 k = 0.2245 0.1296 0.0916 ( 1606 PWs) bands (ev): 2.7892 2.7892 8.7013 8.7013 9.3317 9.3317 9.3394 9.3394 10.4557 10.4557 10.4640 10.4640 11.0852 11.0852 11.3176 11.3176 11.3342 11.3342 12.7035 12.7035 12.8123 12.8123 12.8231 12.8231 13.6833 13.6833 13.7111 13.7111 13.8663 13.8663 13.8687 13.8687 15.8538 15.8538 17.5153 17.5153 k = 0.2347 0.1355 0.0958 ( 1603 PWs) bands (ev): 2.8476 2.8476 8.6278 8.6278 9.3295 9.3295 9.3374 9.3374 10.4930 10.4930 10.5019 10.5019 11.0592 11.0592 11.3134 11.3134 11.3296 11.3296 12.6815 12.6815 12.7817 12.7817 12.7923 12.7923 13.6785 13.6785 13.7082 13.7082 13.8639 13.8639 13.8645 13.8645 15.7446 15.7446 17.5057 17.5057 k = 0.2449 0.1414 0.1000 ( 1603 PWs) bands (ev): 2.9080 2.9080 8.5512 8.5512 9.3279 9.3279 9.3360 9.3360 10.5302 10.5302 10.5396 10.5396 11.0343 11.0343 11.3095 11.3095 11.3254 11.3254 12.6597 12.6597 12.7508 12.7508 12.7621 12.7621 13.6737 13.6737 13.7054 13.7054 13.8597 13.8597 13.8608 13.8608 15.6342 15.6342 17.4994 17.5228 k = 0.2551 0.1473 0.1041 ( 1609 PWs) bands (ev): 2.9704 2.9704 8.4715 8.4715 9.3268 9.3268 9.3352 9.3352 10.5670 10.5670 10.5769 10.5769 11.0111 11.0111 11.3061 11.3061 11.3218 11.3218 12.6378 12.6378 12.7196 12.7196 12.7327 12.7327 13.6691 13.6691 13.7028 13.7028 13.8539 13.8539 13.8571 13.8571 15.5237 15.5237 17.4956 17.4956 k = 0.2653 0.1532 0.1083 ( 1606 PWs) bands (ev): 3.0347 3.0347 8.3891 8.3891 9.3263 9.3263 9.3350 9.3350 10.6034 10.6034 10.6138 10.6138 10.9902 10.9902 11.3032 11.3032 11.3187 11.3187 12.6153 12.6153 12.6885 12.6885 12.7049 12.7049 13.6646 13.6646 13.7003 13.7003 13.8474 13.8474 13.8529 13.8529 15.4139 15.4139 17.4941 17.4941 k = 0.2755 0.1591 0.1125 ( 1606 PWs) bands (ev): 3.1006 3.1006 8.3040 8.3040 9.3263 9.3263 9.3353 9.3353 10.6392 10.6392 10.6501 10.6501 10.9711 10.9711 11.3008 11.3008 11.3164 11.3164 12.5917 12.5917 12.6575 12.6575 12.6788 12.6788 13.6603 13.6603 13.6979 13.6979 13.8403 13.8403 13.8482 13.8482 15.3053 15.3053 17.4942 17.4943 k = 0.2857 0.1650 0.1166 ( 1615 PWs) bands (ev): 3.1682 3.1682 8.2165 8.2165 9.3267 9.3267 9.3360 9.3360 10.6743 10.6743 10.6855 10.6855 10.9545 10.9545 11.2990 11.2990 11.3147 11.3147 12.5665 12.5665 12.6266 12.6266 12.6542 12.6542 13.6559 13.6559 13.6955 13.6955 13.8325 13.8325 13.8429 13.8429 15.1988 15.1988 17.4956 17.4956 k = 0.2959 0.1708 0.1208 ( 1615 PWs) bands (ev): 3.2372 3.2372 8.1270 8.1270 9.3276 9.3276 9.3372 9.3372 10.7085 10.7085 10.7199 10.7199 10.9405 10.9405 11.2980 11.2980 11.3140 11.3140 12.5401 12.5401 12.5960 12.5960 12.6315 12.6315 13.6518 13.6518 13.6934 13.6934 13.8241 13.8241 13.8372 13.8372 15.0948 15.0948 17.4905 17.4905 k = 0.3061 0.1767 0.1250 ( 1609 PWs) bands (ev): 3.3076 3.3076 8.0357 8.0357 9.3290 9.3290 9.3388 9.3388 10.7417 10.7417 10.7532 10.7532 10.9294 10.9294 11.2978 11.2978 11.3144 11.3144 12.5126 12.5126 12.5659 12.5659 12.6099 12.6099 13.6479 13.6479 13.6913 13.6913 13.8152 13.8152 13.8312 13.8312 14.9940 14.9940 17.4862 17.4864 k = 0.3163 0.1826 0.1291 ( 1609 PWs) bands (ev): 3.3791 3.3791 7.9429 7.9429 9.3306 9.3306 9.3407 9.3407 10.7737 10.7737 10.7851 10.7851 10.9211 10.9211 11.2983 11.2983 11.3156 11.3156 12.4844 12.4844 12.5362 12.5362 12.5889 12.5889 13.6441 13.6441 13.6894 13.6894 13.8059 13.8059 13.8248 13.8248 14.8968 14.8968 17.4826 17.4827 k = 0.3265 0.1885 0.1333 ( 1609 PWs) bands (ev): 3.4515 3.4515 7.8491 7.8491 9.3325 9.3325 9.3429 9.3429 10.8044 10.8044 10.8152 10.8152 10.9157 10.9157 11.2997 11.2997 11.3179 11.3179 12.4559 12.4559 12.5072 12.5072 12.5682 12.5682 13.6404 13.6404 13.6875 13.6875 13.7962 13.7962 13.8182 13.8182 14.8037 14.8037 17.4798 17.4798 k = 0.3367 0.1944 0.1375 ( 1609 PWs) bands (ev): 3.5247 3.5247 7.7548 7.7548 9.3346 9.3346 9.3453 9.3453 10.8335 10.8335 10.8434 10.8434 10.9133 10.9133 11.3020 11.3020 11.3214 11.3214 12.4275 12.4275 12.4789 12.4789 12.5473 12.5473 13.6367 13.6367 13.6857 13.6857 13.7863 13.7863 13.8114 13.8114 14.7151 14.7151 17.4776 17.4776 k = 0.3469 0.2003 0.1416 ( 1610 PWs) bands (ev): 3.5982 3.5982 7.6602 7.6602 9.3369 9.3369 9.3479 9.3479 10.8610 10.8610 10.8689 10.8689 10.9143 10.9143 11.3051 11.3051 11.3260 11.3260 12.3993 12.3993 12.4515 12.4515 12.5258 12.5258 13.6332 13.6332 13.6838 13.6838 13.7763 13.7763 13.8046 13.8046 14.6313 14.6313 17.4761 17.4761 k = 0.3571 0.2062 0.1458 ( 1610 PWs) bands (ev): 3.6719 3.6719 7.5660 7.5660 9.3393 9.3393 9.3506 9.3506 10.8866 10.8866 10.8902 10.8902 10.9200 10.9200 11.3092 11.3092 11.3317 11.3317 12.3718 12.3718 12.4250 12.4250 12.5038 12.5038 13.6298 13.6298 13.6820 13.6820 13.7662 13.7662 13.7977 13.7977 14.5527 14.5527 17.4752 17.4752 k = 0.3673 0.2121 0.1500 ( 1610 PWs) bands (ev): 3.7453 3.7453 7.4726 7.4726 9.3419 9.3419 9.3534 9.3534 10.9054 10.9054 10.9104 10.9104 10.9322 10.9322 11.3141 11.3141 11.3386 11.3386 12.3449 12.3449 12.3997 12.3997 12.4811 12.4811 13.6264 13.6264 13.6800 13.6800 13.7564 13.7564 13.7910 13.7910 14.4795 14.4795 17.4750 17.4751 k = 0.3776 0.2180 0.1541 ( 1607 PWs) bands (ev): 3.8181 3.8181 7.3807 7.3807 9.3445 9.3445 9.3563 9.3563 10.9161 10.9161 10.9321 10.9321 10.9488 10.9488 11.3199 11.3199 11.3465 11.3465 12.3190 12.3190 12.3756 12.3756 12.4577 12.4577 13.6232 13.6232 13.6780 13.6780 13.7468 13.7468 13.7844 13.7844 14.4119 14.4119 17.4753 17.4754 k = 0.3878 0.2239 0.1583 ( 1607 PWs) bands (ev): 3.8898 3.8898 7.2909 7.2909 9.3470 9.3470 9.3591 9.3591 10.9260 10.9260 10.9518 10.9518 10.9659 10.9659 11.3263 11.3263 11.3551 11.3551 12.2942 12.2942 12.3529 12.3529 12.4338 12.4338 13.6200 13.6200 13.6758 13.6758 13.7377 13.7377 13.7780 13.7780 14.3501 14.3501 17.4761 17.4762 k = 0.3980 0.2298 0.1625 ( 1601 PWs) bands (ev): 3.9598 3.9598 7.2038 7.2038 9.3495 9.3495 9.3618 9.3618 10.9365 10.9365 10.9696 10.9696 10.9818 10.9818 11.3332 11.3332 11.3644 11.3644 12.2706 12.2706 12.3317 12.3317 12.4100 12.4100 13.6170 13.6170 13.6733 13.6733 13.7294 13.7294 13.7720 13.7720 14.2942 14.2942 17.4774 17.4774 k = 0.4082 0.2357 0.1666 ( 1601 PWs) bands (ev): 4.0274 4.0274 7.1203 7.1203 9.3519 9.3519 9.3645 9.3645 10.9478 10.9478 10.9852 10.9852 10.9960 10.9960 11.3404 11.3404 11.3740 11.3740 12.2482 12.2482 12.3120 12.3120 12.3860 12.3860 13.6140 13.6140 13.6705 13.6705 13.7219 13.7219 13.7664 13.7664 14.2440 14.2440 17.4790 17.4791 k = 0.4184 0.2415 0.1708 ( 1601 PWs) bands (ev): 4.0920 4.0920 7.0413 7.0413 9.3542 9.3542 9.3669 9.3669 10.9596 10.9596 10.9989 10.9989 11.0086 11.0086 11.3477 11.3477 11.3836 11.3836 12.2273 12.2273 12.2940 12.2940 12.3628 12.3628 13.6112 13.6112 13.6672 13.6672 13.7153 13.7153 13.7613 13.7613 14.1997 14.1997 17.4809 17.4810 k = 0.4286 0.2474 0.1750 ( 1607 PWs) bands (ev): 4.1527 4.1527 6.9676 6.9676 9.3563 9.3563 9.3692 9.3692 10.9714 10.9714 11.0106 11.0106 11.0194 11.0194 11.3549 11.3549 11.3930 11.3930 12.2078 12.2078 12.2778 12.2778 12.3406 12.3406 13.6085 13.6085 13.6637 13.6637 13.7097 13.7097 13.7565 13.7565 14.1611 14.1611 17.4829 17.4830 k = 0.4388 0.2533 0.1791 ( 1601 PWs) bands (ev): 4.2084 4.2084 6.9003 6.9003 9.3582 9.3582 9.3713 9.3713 10.9831 10.9831 11.0206 11.0206 11.0287 11.0287 11.3617 11.3617 11.4019 11.4019 12.1903 12.1903 12.2637 12.2637 12.3201 12.3201 13.6060 13.6060 13.6600 13.6600 13.7054 13.7054 13.7526 13.7526 14.1280 14.1280 17.4850 17.4850 k = 0.4490 0.2592 0.1833 ( 1610 PWs) bands (ev): 4.2583 4.2583 6.8405 6.8405 9.3599 9.3599 9.3731 9.3731 10.9940 10.9940 11.0288 11.0288 11.0364 11.0364 11.3678 11.3678 11.4098 11.4098 12.1745 12.1745 12.2514 12.2514 12.3017 12.3017 13.6037 13.6037 13.6563 13.6563 13.7019 13.7019 13.7491 13.7491 14.1003 14.1003 17.4871 17.4871 k = 0.4592 0.2651 0.1875 ( 1604 PWs) bands (ev): 4.3012 4.3012 6.7895 6.7895 9.3613 9.3613 9.3746 9.3746 11.0039 11.0039 11.0354 11.0354 11.0429 11.0429 11.3732 11.3732 11.4167 11.4167 12.1612 12.1612 12.2414 12.2414 12.2864 12.2864 13.6018 13.6018 13.6529 13.6529 13.6994 13.6994 13.7463 13.7463 14.0781 14.0781 17.4889 17.4889 k = 0.4694 0.2710 0.1916 ( 1604 PWs) bands (ev): 4.3359 4.3359 6.7483 6.7483 9.3624 9.3624 9.3758 9.3758 11.0118 11.0118 11.0405 11.0405 11.0480 11.0480 11.3776 11.3776 11.4223 11.4223 12.1502 12.1502 12.2335 12.2335 12.2738 12.2738 13.6003 13.6003 13.6501 13.6501 13.6975 13.6975 13.7441 13.7441 14.0609 14.0609 17.4905 17.4905 k = 0.4796 0.2769 0.1958 ( 1604 PWs) bands (ev): 4.3616 4.3616 6.7181 6.7181 9.3632 9.3632 9.3767 9.3767 11.0177 11.0177 11.0441 11.0441 11.0518 11.0518 11.3808 11.3808 11.4265 11.4265 12.1421 12.1421 12.2278 12.2278 12.2647 12.2647 13.5992 13.5992 13.6479 13.6479 13.6962 13.6962 13.7425 13.7425 14.0488 14.0488 17.4917 17.4917 k = 0.4898 0.2828 0.2000 ( 1616 PWs) bands (ev): 4.3774 4.3774 6.6995 6.6995 9.3636 9.3636 9.3772 9.3772 11.0212 11.0212 11.0459 11.0459 11.0538 11.0538 11.3827 11.3827 11.4290 11.4290 12.1369 12.1369 12.2241 12.2241 12.2590 12.2590 13.5983 13.5983 13.6464 13.6464 13.6953 13.6953 13.7415 13.7415 14.0415 14.0415 17.4924 17.4924 k = 0.5000 0.2887 0.2041 ( 1622 PWs) bands (ev): 4.3827 4.3827 6.6932 6.6932 9.3638 9.3638 9.3774 9.3774 11.0224 11.0224 11.0465 11.0465 11.0546 11.0546 11.3834 11.3834 11.4298 11.4298 12.1352 12.1352 12.2229 12.2229 12.2571 12.2571 13.5980 13.5980 13.6460 13.6460 13.6951 13.6951 13.7411 13.7411 14.0388 14.0388 17.4927 17.4927 k = 0.5000 0.2887 0.2041 ( 1622 PWs) bands (ev): 4.3827 4.3827 6.6932 6.6932 9.3638 9.3638 9.3774 9.3774 11.0224 11.0224 11.0465 11.0465 11.0546 11.0546 11.3834 11.3834 11.4298 11.4298 12.1352 12.1352 12.2229 12.2229 12.2571 12.2571 13.5980 13.5980 13.6460 13.6460 13.6951 13.6951 13.7411 13.7411 14.0388 14.0388 17.4927 17.4927 k = 0.5036 0.2784 0.2100 ( 1615 PWs) bands (ev): 4.3834 4.3834 6.6945 6.6945 9.3631 9.3631 9.3769 9.3769 11.0196 11.0196 11.0463 11.0463 11.0537 11.0537 11.3857 11.3857 11.4319 11.4319 12.1351 12.1351 12.2223 12.2223 12.2575 12.2575 13.5984 13.5984 13.6465 13.6465 13.6944 13.6944 13.7406 13.7406 14.0388 14.0388 17.4324 17.4325 k = 0.5071 0.2681 0.2158 ( 1605 PWs) bands (ev): 4.3855 4.3855 6.6984 6.6984 9.3598 9.3598 9.3767 9.3767 11.0103 11.0103 11.0457 11.0457 11.0521 11.0521 11.3919 11.3919 11.4382 11.4382 12.1349 12.1349 12.2205 12.2205 12.2586 12.2586 13.5993 13.5993 13.6478 13.6478 13.6922 13.6922 13.7390 13.7390 14.0388 14.0388 17.3274 17.3274 k = 0.5107 0.2577 0.2216 ( 1601 PWs) bands (ev): 4.3891 4.3891 6.7048 6.7048 9.3520 9.3520 9.3786 9.3786 10.9940 10.9940 11.0439 11.0439 11.0516 11.0516 11.4007 11.4007 11.4485 11.4485 12.1342 12.1342 12.2172 12.2172 12.2608 12.2608 13.6003 13.6003 13.6499 13.6499 13.6884 13.6884 13.7366 13.7366 14.0390 14.0390 17.2093 17.2093 k = 0.5143 0.2474 0.2275 ( 1601 PWs) bands (ev): 4.3941 4.3941 6.7138 6.7138 9.3398 9.3398 9.3826 9.3826 10.9715 10.9715 11.0411 11.0411 11.0528 11.0528 11.4112 11.4112 11.4626 11.4626 12.1326 12.1326 12.2126 12.2126 12.2642 12.2642 13.6015 13.6015 13.6528 13.6528 13.6828 13.6828 13.7338 13.7338 14.0390 14.0390 17.0836 17.0836 k = 0.5179 0.2371 0.2333 ( 1608 PWs) bands (ev): 4.4005 4.4005 6.7253 6.7253 9.3235 9.3235 9.3882 9.3882 10.9443 10.9443 11.0376 11.0376 11.0554 11.0554 11.4226 11.4226 11.4797 11.4797 12.1299 12.1299 12.2068 12.2068 12.2692 12.2692 13.6025 13.6025 13.6564 13.6564 13.6753 13.6753 13.7309 13.7309 14.0390 14.0390 16.9533 16.9533 k = 0.5214 0.2268 0.2391 ( 1609 PWs) bands (ev): 4.4083 4.4083 6.7394 6.7394 9.3036 9.3036 9.3954 9.3954 10.9137 10.9137 11.0337 11.0337 11.0592 11.0592 11.4351 11.4351 11.4988 11.4988 12.1258 12.1258 12.1999 12.1999 12.2759 12.2759 13.6031 13.6031 13.6599 13.6599 13.6667 13.6667 13.7285 13.7285 14.0392 14.0392 16.8201 16.8201 k = 0.5250 0.2165 0.2449 ( 1607 PWs) bands (ev): 4.4174 4.4174 6.7559 6.7559 9.2802 9.2802 9.4041 9.4041 10.8804 10.8804 11.0294 11.0294 11.0642 11.0642 11.4487 11.4487 11.5188 11.5188 12.1203 12.1203 12.1922 12.1922 12.2844 12.2844 13.6027 13.6027 13.6527 13.6527 13.6676 13.6676 13.7271 13.7271 14.0394 14.0394 16.6856 16.6856 k = 0.5286 0.2062 0.2508 ( 1605 PWs) bands (ev): 4.4279 4.4279 6.7750 6.7750 9.2535 9.2535 9.4142 9.4142 10.8451 10.8451 11.0249 11.0249 11.0704 11.0704 11.4633 11.4633 11.5390 11.5390 12.1133 12.1133 12.1837 12.1837 12.2947 12.2947 13.6010 13.6010 13.6393 13.6393 13.6736 13.6736 13.7270 13.7270 14.0398 14.0398 16.5506 16.5506 k = 0.5321 0.1959 0.2566 ( 1609 PWs) bands (ev): 4.4396 4.4396 6.7965 6.7965 9.2234 9.2234 9.4253 9.4253 10.8080 10.8080 11.0202 11.0202 11.0776 11.0776 11.4787 11.4787 11.5584 11.5584 12.1051 12.1051 12.1745 12.1745 12.3065 12.3065 13.5974 13.5974 13.6241 13.6241 13.6806 13.6806 13.7282 13.7282 14.0404 14.0404 16.4159 16.4159 k = 0.5357 0.1856 0.2624 ( 1605 PWs) bands (ev): 4.4527 4.4527 6.8204 6.8204 9.1903 9.1903 9.4379 9.4379 10.7696 10.7696 11.0156 11.0156 11.0862 11.0862 11.4952 11.4952 11.5768 11.5768 12.0960 12.0960 12.1648 12.1648 12.3196 12.3196 13.5910 13.5910 13.6085 13.6085 13.6885 13.6885 13.7311 13.7311 14.0412 14.0412 16.2822 16.2822 k = 0.5393 0.1753 0.2683 ( 1605 PWs) bands (ev): 4.4669 4.4669 6.8468 6.8468 9.1542 9.1542 9.4517 9.4517 10.7301 10.7301 11.0110 11.0110 11.0959 11.0959 11.5126 11.5126 11.5935 11.5935 12.0863 12.0863 12.1547 12.1547 12.3336 12.3336 13.5798 13.5798 13.5946 13.5946 13.6970 13.6970 13.7356 13.7356 14.0419 14.0419 16.1502 16.1502 k = 0.5429 0.1650 0.2741 ( 1599 PWs) bands (ev): 4.4823 4.4823 6.8755 6.8755 9.1154 9.1154 9.4668 9.4668 10.6897 10.6897 11.0066 11.0066 11.1070 11.1070 11.5307 11.5307 11.6083 11.6083 12.0763 12.0763 12.1444 12.1444 12.3484 12.3484 13.5630 13.5630 13.5836 13.5836 13.7060 13.7060 13.7416 13.7416 14.0428 14.0428 16.0202 16.0202 k = 0.5464 0.1546 0.2799 ( 1595 PWs) bands (ev): 4.4988 4.4988 6.9064 6.9064 9.0739 9.0739 9.4830 9.4830 10.6485 10.6485 11.0025 11.0025 11.1193 11.1193 11.5494 11.5494 11.6209 11.6209 12.0663 12.0663 12.1342 12.1342 12.3635 12.3635 13.5436 13.5436 13.5731 13.5731 13.7155 13.7155 13.7488 13.7488 14.0438 14.0438 15.8929 15.8929 k = 0.5500 0.1443 0.2858 ( 1594 PWs) bands (ev): 4.5164 4.5164 6.9397 6.9397 9.0300 9.0300 9.5003 9.5003 10.6066 10.6066 10.9986 10.9986 11.1327 11.1327 11.5681 11.5681 11.6311 11.6311 12.0563 12.0563 12.1242 12.1242 12.3787 12.3787 13.5232 13.5232 13.5616 13.5616 13.7254 13.7254 13.7572 13.7572 14.0446 14.0446 15.7685 15.7685 k = 0.5536 0.1340 0.2916 ( 1594 PWs) bands (ev): 4.5349 4.5349 6.9751 6.9751 8.9838 8.9838 9.5187 9.5187 10.5640 10.5640 10.9951 10.9951 11.1473 11.1473 11.5863 11.5863 11.6395 11.6395 12.0464 12.0464 12.1151 12.1151 12.3938 12.3938 13.5025 13.5025 13.5491 13.5491 13.7354 13.7354 13.7666 13.7666 14.0454 14.0454 15.6474 15.6474 k = 0.5571 0.1237 0.2974 ( 1598 PWs) bands (ev): 4.5544 4.5544 7.0126 7.0126 8.9354 8.9354 9.5381 9.5381 10.5211 10.5211 10.9919 10.9919 11.1628 11.1628 11.6022 11.6022 11.6474 11.6474 12.0364 12.0364 12.1073 12.1073 12.4084 12.4084 13.4818 13.4818 13.5354 13.5354 13.7456 13.7456 13.7767 13.7767 14.0461 14.0461 15.5300 15.5300 k = 0.5607 0.1134 0.3033 ( 1598 PWs) bands (ev): 4.5747 4.5747 7.0522 7.0522 8.8853 8.8853 9.5585 9.5585 10.4780 10.4780 10.9891 10.9891 11.1792 11.1792 11.6129 11.6129 11.6578 11.6578 12.0258 12.0258 12.1014 12.1014 12.4225 12.4225 13.4616 13.4616 13.5208 13.5208 13.7559 13.7559 13.7877 13.7877 14.0466 14.0466 15.4168 15.4168 k = 0.5643 0.1031 0.3091 ( 1598 PWs) bands (ev): 4.5957 4.5957 7.0938 7.0938 8.8336 8.8336 9.5799 9.5799 10.4346 10.4346 10.9868 10.9868 11.1964 11.1964 11.6160 11.6160 11.6731 11.6731 12.0144 12.0144 12.0977 12.0977 12.4359 12.4359 13.4421 13.4421 13.5053 13.5053 13.7661 13.7661 13.7993 13.7993 14.0469 14.0469 15.3080 15.3080 k = 0.5679 0.0928 0.3149 ( 1598 PWs) bands (ev): 4.6173 4.6173 7.1371 7.1371 8.7804 8.7804 9.6021 9.6021 10.3912 10.3912 10.9851 10.9851 11.2141 11.2141 11.6131 11.6131 11.6920 11.6920 12.0022 12.0022 12.0964 12.0964 12.4483 12.4483 13.4236 13.4236 13.4890 13.4890 13.7761 13.7761 13.8114 13.8114 14.0469 14.0469 15.2038 15.2038 k = 0.5714 0.0825 0.3208 ( 1599 PWs) bands (ev): 4.6395 4.6395 7.1822 7.1822 8.7260 8.7260 9.6251 9.6251 10.3480 10.3480 10.9837 10.9837 11.2320 11.2320 11.6061 11.6061 11.7126 11.7126 11.9891 11.9891 12.0973 12.0973 12.4597 12.4597 13.4064 13.4064 13.4719 13.4719 13.7858 13.7858 13.8239 13.8239 14.0467 14.0467 15.1046 15.1046 k = 0.5750 0.0722 0.3266 ( 1601 PWs) bands (ev): 4.6620 4.6620 7.2288 7.2288 8.6707 8.6707 9.6489 9.6489 10.3050 10.3050 10.9827 10.9827 11.2500 11.2500 11.5964 11.5964 11.7337 11.7337 11.9756 11.9756 12.1001 12.1001 12.4700 12.4700 13.3906 13.3906 13.4541 13.4541 13.7949 13.7949 13.8368 13.8368 14.0463 14.0463 15.0106 15.0106 k = 0.5786 0.0619 0.3324 ( 1603 PWs) bands (ev): 4.6847 4.6847 7.2768 7.2768 8.6147 8.6147 9.6733 9.6733 10.2624 10.2624 10.9823 10.9823 11.2677 11.2677 11.5847 11.5847 11.7547 11.7547 11.9621 11.9621 12.1043 12.1043 12.4791 12.4791 13.3764 13.3764 13.4358 13.4358 13.8035 13.8035 13.8501 13.8501 14.0457 14.0457 14.9221 14.9221 k = 0.5821 0.0515 0.3383 ( 1607 PWs) bands (ev): 4.7075 4.7075 7.3259 7.3259 8.5585 8.5585 9.6984 9.6984 10.2206 10.2206 10.9823 10.9823 11.2845 11.2845 11.5719 11.5719 11.7744 11.7744 11.9495 11.9495 12.1097 12.1097 12.4874 12.4874 13.3638 13.3638 13.4169 13.4169 13.8109 13.8109 13.8636 13.8636 14.0449 14.0449 14.8393 14.8393 k = 0.5857 0.0412 0.3441 ( 1607 PWs) bands (ev): 4.7302 4.7302 7.3759 7.3759 8.5023 8.5023 9.7240 9.7240 10.1797 10.1797 10.9828 10.9828 11.3002 11.3002 11.5585 11.5585 11.7919 11.7919 11.9391 11.9391 12.1160 12.1160 12.4948 12.4948 13.3531 13.3531 13.3976 13.3976 13.8171 13.8171 13.8774 13.8774 14.0441 14.0441 14.7625 14.7625 k = 0.5893 0.0309 0.3499 ( 1609 PWs) bands (ev): 4.7527 4.7527 7.4262 7.4262 8.4468 8.4468 9.7500 9.7500 10.1399 10.1399 10.9838 10.9838 11.3143 11.3143 11.5449 11.5449 11.8050 11.8050 11.9327 11.9327 12.1230 12.1230 12.5014 12.5014 13.3441 13.3441 13.3781 13.3781 13.8219 13.8219 13.8912 13.8912 14.0434 14.0434 14.6918 14.6918 k = 0.5929 0.0206 0.3558 ( 1613 PWs) bands (ev): 4.7746 4.7746 7.4763 7.4763 8.3927 8.3927 9.7763 9.7763 10.1013 10.1013 10.9852 10.9852 11.3260 11.3260 11.5318 11.5318 11.8113 11.8113 11.9328 11.9328 12.1305 12.1305 12.5075 12.5075 13.3363 13.3363 13.3588 13.3588 13.8249 13.8249 13.9051 13.9051 14.0429 14.0429 14.6273 14.6273 k = 0.5964 0.0103 0.3616 ( 1611 PWs) bands (ev): 4.7959 4.7959 7.5253 7.5253 8.3410 8.3410 9.8029 9.8029 10.0643 10.0643 10.9871 10.9871 11.3348 11.3348 11.5195 11.5195 11.8100 11.8100 11.9405 11.9405 12.1385 12.1385 12.5135 12.5135 13.3275 13.3275 13.3423 13.3423 13.8258 13.8258 13.9191 13.9191 14.0429 14.0429 14.5693 14.5693 k = 0.6000-0.0000 0.3674 ( 1617 PWs) bands (ev): 4.8162 4.8162 7.5722 7.5722 8.2929 8.2929 9.8296 9.8296 10.0291 10.0291 10.9892 10.9892 11.3401 11.3401 11.5084 11.5084 11.8021 11.8021 11.9543 11.9543 12.1468 12.1468 12.5197 12.5197 13.3114 13.3114 13.3343 13.3343 13.8243 13.8243 13.9327 13.9327 14.0432 14.0432 14.5176 14.5176 k = 0.6036-0.0103 0.3733 ( 1615 PWs) bands (ev): 4.8353 4.8353 7.6150 7.6150 8.2505 8.2505 9.8563 9.8563 9.9958 9.9958 10.9918 10.9918 11.3416 11.3416 11.4985 11.4985 11.7904 11.7904 11.9720 11.9720 12.1555 12.1555 12.5266 12.5266 13.2915 13.2915 13.3320 13.3320 13.8205 13.8205 13.9459 13.9459 14.0444 14.0444 14.4723 14.4723 k = 0.6071-0.0206 0.3791 ( 1612 PWs) bands (ev): 4.8529 4.8529 7.6512 7.6512 8.2166 8.2166 9.8829 9.8829 9.9649 9.9649 10.9946 10.9946 11.3390 11.3390 11.4900 11.4900 11.7763 11.7763 11.9918 11.9918 12.1645 12.1645 12.5347 12.5347 13.2705 13.2705 13.3323 13.3323 13.8143 13.8143 13.9585 13.9585 14.0461 14.0461 14.4334 14.4334 k = 0.6107-0.0309 0.3849 ( 1610 PWs) bands (ev): 4.8687 4.8687 7.6776 7.6776 8.1946 8.1946 9.9090 9.9090 9.9366 9.9366 10.9976 10.9976 11.3328 11.3328 11.4821 11.4821 11.7611 11.7611 12.0124 12.0124 12.1735 12.1735 12.5444 12.5444 13.2492 13.2492 13.3344 13.3344 13.8059 13.8059 13.9701 13.9701 14.0486 14.0486 14.4005 14.4005 k = 0.6143-0.0412 0.3908 ( 1614 PWs) bands (ev): 4.8825 4.8825 7.6909 7.6909 8.1878 8.1878 9.9091 9.9091 9.9365 9.9365 11.0006 11.0006 11.3233 11.3233 11.4744 11.4744 11.7454 11.7454 12.0331 12.0331 12.1825 12.1825 12.5561 12.5561 13.2275 13.2275 13.3380 13.3380 13.7957 13.7957 13.9801 13.9801 14.0513 14.0513 14.3733 14.3733 k = 0.6179-0.0515 0.3966 ( 1614 PWs) bands (ev): 4.8937 4.8937 7.6898 7.6898 8.1980 8.1980 9.8861 9.8861 9.9618 9.9618 11.0039 11.0039 11.3111 11.3111 11.4663 11.4663 11.7296 11.7296 12.0537 12.0537 12.1911 12.1911 12.5703 12.5703 13.2059 13.2059 13.3431 13.3431 13.7840 13.7840 13.9880 13.9880 14.0544 14.0544 14.3515 14.3515 k = 0.6214-0.0619 0.4024 ( 1614 PWs) bands (ev): 4.9023 4.9023 7.6758 7.6758 8.2239 8.2239 9.8658 9.8658 9.9868 9.9868 11.0071 11.0071 11.2966 11.2966 11.4574 11.4574 11.7139 11.7139 12.0737 12.0737 12.1994 12.1994 12.5875 12.5875 13.1842 13.1842 13.3495 13.3495 13.7714 13.7714 13.9929 13.9929 14.0577 14.0577 14.3347 14.3347 k = 0.6250-0.0722 0.4082 ( 1608 PWs) bands (ev): 4.9077 4.9077 7.6522 7.6522 8.2624 8.2624 9.8486 9.8486 10.0112 10.0112 11.0101 11.0101 11.2801 11.2801 11.4477 11.4477 11.6986 11.6986 12.0928 12.0928 12.2071 12.2071 12.6076 12.6076 13.1627 13.1627 13.3572 13.3572 13.7583 13.7583 13.9937 13.9937 14.0610 14.0610 14.3225 14.3225 k = 0.6250-0.0722 0.4082 ( 1608 PWs) bands (ev): 4.9077 4.9077 7.6522 7.6522 8.2624 8.2624 9.8486 9.8486 10.0112 10.0112 11.0101 11.0101 11.2801 11.2801 11.4477 11.4477 11.6986 11.6986 12.0928 12.0928 12.2071 12.2071 12.6076 12.6076 13.1627 13.1627 13.3572 13.3572 13.7583 13.7583 13.9937 13.9937 14.0610 14.0610 14.3226 14.3226 k = 0.6188-0.0686 0.4185 ( 1616 PWs) bands (ev): 4.9080 4.9080 7.6533 7.6533 8.2626 8.2626 9.8379 9.8379 10.0197 10.0197 11.0107 11.0107 11.2794 11.2794 11.4471 11.4471 11.6991 11.6991 12.0913 12.0913 12.2080 12.2080 12.6080 12.6080 13.1633 13.1633 13.3579 13.3579 13.7572 13.7572 13.9874 13.9874 14.0658 14.0658 14.3228 14.3228 k = 0.6125-0.0650 0.4287 ( 1616 PWs) bands (ev): 4.9091 4.9091 7.6566 7.6566 8.2635 8.2635 9.8111 9.8111 10.0406 10.0406 11.0126 11.0126 11.2774 11.2774 11.4454 11.4454 11.7006 11.7006 12.0871 12.0871 12.2108 12.2108 12.6091 12.6091 13.1654 13.1654 13.3601 13.3601 13.7542 13.7542 13.9721 13.9721 14.0769 14.0769 14.3234 14.3234 k = 0.6062-0.0613 0.4389 ( 1616 PWs) bands (ev): 4.9109 4.9109 7.6621 7.6621 8.2648 8.2648 9.7751 9.7751 10.0668 10.0668 11.0159 11.0159 11.2741 11.2741 11.4425 11.4425 11.7032 11.7032 12.0805 12.0805 12.2152 12.2152 12.6110 12.6110 13.1688 13.1688 13.3638 13.3638 13.7491 13.7491 13.9523 13.9523 14.0898 14.0898 14.3244 14.3245 k = 0.6000-0.0577 0.4491 ( 1613 PWs) bands (ev): 4.9134 4.9134 7.6698 7.6698 8.2666 8.2666 9.7339 9.7339 10.0946 10.0946 11.0203 11.0203 11.2696 11.2696 11.4387 11.4387 11.7066 11.7066 12.0721 12.0721 12.2208 12.2208 12.6135 12.6135 13.1737 13.1737 13.3689 13.3689 13.7421 13.7421 13.9301 13.9301 14.1027 14.1027 14.3256 14.3256 k = 0.5938-0.0541 0.4593 ( 1614 PWs) bands (ev): 4.9166 4.9166 7.6797 7.6797 8.2686 8.2686 9.6895 9.6895 10.1220 10.1220 11.0260 11.0260 11.2639 11.2639 11.4340 11.4340 11.7110 11.7110 12.0619 12.0619 12.2273 12.2273 12.6167 12.6167 13.1797 13.1797 13.3750 13.3750 13.7334 13.7334 13.9062 13.9062 14.1148 14.1148 14.3268 14.3268 k = 0.5875-0.0505 0.4695 ( 1618 PWs) bands (ev): 4.9203 4.9203 7.6918 7.6918 8.2707 8.2707 9.6428 9.6428 10.1482 10.1482 11.0328 11.0328 11.2572 11.2572 11.4285 11.4285 11.7161 11.7161 12.0506 12.0506 12.2345 12.2345 12.6202 12.6202 13.1869 13.1869 13.3822 13.3822 13.7228 13.7228 13.8812 13.8812 14.1259 14.1259 14.3266 14.3266 k = 0.5813-0.0469 0.4797 ( 1610 PWs) bands (ev): 4.9246 4.9246 7.7060 7.7060 8.2727 8.2727 9.5948 9.5948 10.1730 10.1730 11.0407 11.0407 11.2496 11.2496 11.4226 11.4226 11.7220 11.7220 12.0384 12.0384 12.2422 12.2422 12.6244 12.6244 13.1953 13.1953 13.3903 13.3903 13.7108 13.7108 13.8557 13.8557 14.1359 14.1359 14.3189 14.3189 k = 0.5750-0.0433 0.4899 ( 1612 PWs) bands (ev): 4.9293 4.9293 7.7224 7.7224 8.2742 8.2742 9.5461 9.5461 10.1958 10.1958 11.0494 11.0494 11.2413 11.2413 11.4162 11.4162 11.7283 11.7283 12.0254 12.0254 12.2504 12.2504 12.6287 12.6287 13.2046 13.2046 13.3988 13.3988 13.6975 13.6975 13.8297 13.8297 14.1447 14.1447 14.3006 14.3006 k = 0.5687-0.0397 0.5001 ( 1610 PWs) bands (ev): 4.9345 4.9345 7.7410 7.7410 8.2749 8.2749 9.4972 9.4972 10.2166 10.2166 11.0590 11.0590 11.2324 11.2324 11.4096 11.4096 11.7353 11.7353 12.0118 12.0118 12.2589 12.2589 12.6331 12.6331 13.2148 13.2148 13.4077 13.4077 13.6831 13.6831 13.8036 13.8036 14.1525 14.1525 14.2802 14.2802 k = 0.5625-0.0361 0.5103 ( 1607 PWs) bands (ev): 4.9400 4.9400 7.7617 7.7617 8.2743 8.2743 9.4488 9.4488 10.2355 10.2355 11.0692 11.0692 11.2232 11.2232 11.4030 11.4030 11.7426 11.7426 11.9978 11.9978 12.2676 12.2676 12.6376 12.6376 13.2258 13.2258 13.4168 13.4168 13.6680 13.6680 13.7777 13.7777 14.1592 14.1592 14.2600 14.2600 k = 0.5563-0.0325 0.5205 ( 1613 PWs) bands (ev): 4.9458 4.9458 7.7844 7.7844 8.2719 8.2719 9.4018 9.4018 10.2521 10.2521 11.0798 11.0798 11.2139 11.2139 11.3965 11.3965 11.7503 11.7503 11.9834 11.9834 12.2764 12.2764 12.6418 12.6418 13.2372 13.2372 13.4256 13.4256 13.6522 13.6522 13.7522 13.7522 14.1648 14.1648 14.2409 14.2409 k = 0.5500-0.0289 0.5307 ( 1611 PWs) bands (ev): 4.9516 4.9516 7.8093 7.8093 8.2671 8.2671 9.3568 9.3568 10.2667 10.2667 11.0907 11.0907 11.2048 11.2048 11.3903 11.3903 11.7584 11.7584 11.9690 11.9690 12.2852 12.2852 12.6458 12.6458 13.2492 13.2492 13.4342 13.4342 13.6364 13.6364 13.7277 13.7277 14.1694 14.1694 14.2235 14.2235 k = 0.5437-0.0253 0.5409 ( 1609 PWs) bands (ev): 4.9574 4.9574 7.8362 7.8362 8.2593 8.2593 9.3147 9.3147 10.2793 10.2793 11.1015 11.1015 11.1960 11.1960 11.3847 11.3847 11.7668 11.7668 11.9546 11.9546 12.2937 12.2937 12.6494 12.6494 13.2614 13.2614 13.4422 13.4422 13.6210 13.6210 13.7041 13.7041 14.1728 14.1728 14.2086 14.2086 k = 0.5375-0.0217 0.5511 ( 1609 PWs) bands (ev): 4.9630 4.9630 7.8652 7.8652 8.2478 8.2478 9.2766 9.2766 10.2897 10.2897 11.1121 11.1121 11.1877 11.1877 11.3797 11.3797 11.7753 11.7753 11.9404 11.9404 12.3019 12.3019 12.6524 12.6524 13.2736 13.2736 13.4493 13.4493 13.6065 13.6065 13.6818 13.6818 14.1743 14.1743 14.1971 14.1971 k = 0.5312-0.0180 0.5613 ( 1613 PWs) bands (ev): 4.9683 4.9683 7.8961 7.8961 8.2320 8.2320 9.2431 9.2431 10.2981 10.2981 11.1221 11.1221 11.1802 11.1802 11.3755 11.3755 11.7839 11.7839 11.9266 11.9266 12.3093 12.3093 12.6548 12.6548 13.2855 13.2855 13.4551 13.4551 13.5936 13.5936 13.6610 13.6610 14.1726 14.1726 14.1904 14.1904 k = 0.5250-0.0144 0.5715 ( 1615 PWs) bands (ev): 4.9731 4.9731 7.9290 7.9290 8.2114 8.2114 9.2152 9.2152 10.3046 10.3046 11.1312 11.1312 11.1734 11.1734 11.3722 11.3722 11.7925 11.7925 11.9135 11.9135 12.3158 12.3158 12.6566 12.6566 13.2969 13.2969 13.4593 13.4593 13.5832 13.5832 13.6419 13.6419 14.1684 14.1684 14.1881 14.1881 k = 0.5188-0.0108 0.5818 ( 1611 PWs) bands (ev): 4.9773 4.9773 7.9639 7.9639 8.1859 8.1859 9.1933 9.1933 10.3095 10.3095 11.1392 11.1392 11.1676 11.1676 11.3701 11.3701 11.8008 11.8008 11.9015 11.9015 12.3213 12.3213 12.6579 12.6579 13.3073 13.3073 13.4615 13.4615 13.5766 13.5766 13.6246 13.6246 14.1646 14.1646 14.1873 14.1873 k = 0.5125-0.0072 0.5920 ( 1611 PWs) bands (ev): 4.9805 4.9805 8.0007 8.0007 8.1553 8.1553 9.1777 9.1777 10.3127 10.3127 11.1458 11.1458 11.1628 11.1628 11.3687 11.3687 11.8082 11.8082 11.8913 11.8913 12.3254 12.3254 12.6585 12.6585 13.3159 13.3159 13.4617 13.4617 13.5745 13.5745 13.6094 13.6094 14.1626 14.1626 14.1863 14.1863 k = 0.5062-0.0036 0.6022 ( 1611 PWs) bands (ev): 4.9826 4.9826 8.0392 8.0392 8.1201 8.1201 9.1686 9.1686 10.3144 10.3144 11.1508 11.1508 11.1589 11.1589 11.3681 11.3681 11.8136 11.8136 11.8841 11.8841 12.3280 12.3280 12.6587 12.6587 13.3218 13.3218 13.4607 13.4607 13.5771 13.5771 13.5965 13.5965 14.1623 14.1623 14.1851 14.1851 k = 0.5000-0.0000 0.6124 ( 1604 PWs) bands (ev): 4.9834 4.9834 8.0746 8.0746 8.0857 8.0857 9.1657 9.1657 10.3150 10.3150 11.1532 11.1532 11.1571 11.1571 11.3681 11.3681 11.8157 11.8157 11.8815 11.8815 12.3289 12.3289 12.6588 12.6588 13.3240 13.3240 13.4600 13.4600 13.5825 13.5825 13.5879 13.5879 14.1628 14.1628 14.1842 14.1842 k = 0.5000-0.0000 0.6124 ( 1604 PWs) bands (ev): 4.9834 4.9834 8.0746 8.0746 8.0857 8.0857 9.1657 9.1657 10.3150 10.3150 11.1532 11.1532 11.1571 11.1571 11.3681 11.3681 11.8157 11.8157 11.8815 11.8815 12.3289 12.3289 12.6588 12.6588 13.3240 13.3240 13.4600 13.4600 13.5825 13.5825 13.5879 13.5879 14.1628 14.1628 14.1842 14.1842 k = 0.5000 0.0072 0.6022 ( 1610 PWs) bands (ev): 4.9821 4.9821 8.0721 8.0721 8.0853 8.0853 9.1701 9.1701 10.3135 10.3135 11.1531 11.1531 11.1571 11.1571 11.3687 11.3687 11.8163 11.8163 11.8821 11.8821 12.3266 12.3266 12.6574 12.6574 13.3235 13.3235 13.4594 13.4594 13.5835 13.5835 13.5922 13.5922 14.1637 14.1637 14.1847 14.1847 k = 0.5000 0.0144 0.5920 ( 1610 PWs) bands (ev): 4.9785 4.9785 8.0593 8.0593 8.0898 8.0898 9.1833 9.1833 10.3092 10.3092 11.1528 11.1528 11.1576 11.1576 11.3711 11.3711 11.8183 11.8183 11.8843 11.8843 12.3199 12.3199 12.6534 12.6534 13.3223 13.3223 13.4578 13.4578 13.5874 13.5874 13.6042 13.6042 14.1663 14.1663 14.1865 14.1865 k = 0.5000 0.0217 0.5818 ( 1610 PWs) bands (ev): 4.9724 4.9724 8.0363 8.0363 8.1000 8.1000 9.2043 9.2043 10.3023 10.3023 11.1519 11.1519 11.1586 11.1586 11.3751 11.3751 11.8214 11.8214 11.8880 11.8880 12.3087 12.3087 12.6474 12.6474 13.3206 13.3206 13.4551 13.4551 13.5938 13.5938 13.6227 13.6227 14.1699 14.1700 14.1903 14.1903 k = 0.5000 0.0289 0.5715 ( 1610 PWs) bands (ev): 4.9640 4.9640 8.0051 8.0051 8.1148 8.1148 9.2319 9.2319 10.2931 10.2931 11.1503 11.1503 11.1599 11.1599 11.3809 11.3809 11.8257 11.8257 11.8931 11.8931 12.2931 12.2931 12.6400 12.6400 13.3190 13.3190 13.4517 13.4517 13.6020 13.6020 13.6465 13.6465 14.1732 14.1732 14.1977 14.1977 k = 0.5000 0.0361 0.5613 ( 1608 PWs) bands (ev): 4.9535 4.9535 7.9673 7.9673 8.1337 8.1337 9.2646 9.2646 10.2821 10.2821 11.1482 11.1482 11.1611 11.1611 11.3885 11.3885 11.8307 11.8307 11.8997 11.8997 12.2733 12.2733 12.6319 12.6319 13.3177 13.3177 13.4480 13.4480 13.6112 13.6112 13.6738 13.6738 14.1749 14.1749 14.2105 14.2105 k = 0.5000 0.0433 0.5511 ( 1604 PWs) bands (ev): 4.9409 4.9409 7.9243 7.9243 8.1565 8.1565 9.3011 9.3011 10.2698 10.2698 11.1455 11.1455 11.1620 11.1620 11.3983 11.3983 11.8365 11.8365 11.9075 11.9075 12.2496 12.2496 12.6238 12.6238 13.3170 13.3170 13.4445 13.4445 13.6210 13.6210 13.7027 13.7027 14.1751 14.1751 14.2295 14.2295 k = 0.5000 0.0505 0.5409 ( 1602 PWs) bands (ev): 4.9263 4.9263 7.8772 7.8772 8.1830 8.1830 9.3398 9.3398 10.2569 10.2569 11.1423 11.1423 11.1621 11.1621 11.4098 11.4098 11.8428 11.8428 11.9165 11.9165 12.2226 12.2226 12.6159 12.6159 13.3170 13.3170 13.4414 13.4414 13.6310 13.6310 13.7310 13.7310 14.1738 14.1738 14.2553 14.2553 k = 0.5000 0.0577 0.5307 ( 1596 PWs) bands (ev): 4.9100 4.9100 7.8271 7.8271 8.2129 8.2129 9.3794 9.3794 10.2441 10.2441 11.1386 11.1386 11.1616 11.1616 11.4232 11.4232 11.8495 11.8495 11.9264 11.9264 12.1929 12.1929 12.6083 12.6083 13.3179 13.3179 13.4391 13.4391 13.6409 13.6409 13.7570 13.7570 14.1714 14.1714 14.2885 14.2885 k = 0.5000 0.0650 0.5205 ( 1602 PWs) bands (ev): 4.8922 4.8922 7.7747 7.7747 8.2461 8.2461 9.4188 9.4188 10.2321 10.2321 11.1344 11.1344 11.1599 11.1599 11.4382 11.4382 11.8563 11.8563 11.9367 11.9367 12.1611 12.1611 12.6008 12.6008 13.3196 13.3196 13.4377 13.4377 13.6504 13.6504 13.7793 13.7793 14.1679 14.1679 14.3297 14.3297 k = 0.5000 0.0722 0.5103 ( 1604 PWs) bands (ev): 4.8729 4.8729 7.7209 7.7209 8.2822 8.2822 9.4566 9.4566 10.2219 10.2219 11.1299 11.1299 11.1576 11.1576 11.4545 11.4545 11.8634 11.8634 11.9472 11.9472 12.1282 12.1282 12.5936 12.5936 13.3224 13.3224 13.4376 13.4376 13.6595 13.6595 13.7971 13.7971 14.1635 14.1635 14.3791 14.3791 k = 0.5000 0.0794 0.5001 ( 1602 PWs) bands (ev): 4.8525 4.8525 7.6661 7.6661 8.3210 8.3210 9.4917 9.4917 10.2144 10.2144 11.1249 11.1249 11.1546 11.1546 11.4718 11.4718 11.8706 11.8706 11.9574 11.9574 12.0952 12.0952 12.5863 12.5863 13.3263 13.3263 13.4387 13.4387 13.6682 13.6682 13.8103 13.8103 14.1584 14.1584 14.4364 14.4364 k = 0.5000 0.0866 0.4899 ( 1606 PWs) bands (ev): 4.8310 4.8310 7.6109 7.6109 8.3621 8.3621 9.5229 9.5229 10.2105 10.2105 11.1196 11.1196 11.1509 11.1509 11.4899 11.4899 11.8772 11.8772 11.9661 11.9661 12.0635 12.0635 12.5787 12.5787 13.3314 13.3314 13.4410 13.4410 13.6763 13.6763 13.8193 13.8193 14.1526 14.1526 14.5007 14.5007 k = 0.5000 0.0938 0.4797 ( 1608 PWs) bands (ev): 4.8088 4.8088 7.5558 7.5558 8.4055 8.4055 9.5494 9.5494 10.2113 10.2113 11.1140 11.1140 11.1466 11.1466 11.5083 11.5083 11.8828 11.8828 11.9711 11.9711 12.0365 12.0365 12.5706 12.5706 13.3378 13.3378 13.4446 13.4446 13.6837 13.6837 13.8244 13.8244 14.1461 14.1461 14.5716 14.5716 k = 0.5000 0.1010 0.4695 ( 1608 PWs) bands (ev): 4.7859 4.7859 7.5009 7.5009 8.4506 8.4506 9.5702 9.5702 10.2173 10.2173 11.1082 11.1082 11.1420 11.1420 11.5268 11.5268 11.8852 11.8852 11.9676 11.9676 12.0212 12.0212 12.5619 12.5619 13.3455 13.3455 13.4495 13.4495 13.6906 13.6906 13.8262 13.8262 14.1392 14.1392 14.6481 14.6481 k = 0.5000 0.1083 0.4593 ( 1606 PWs) bands (ev): 4.7626 4.7626 7.4467 7.4467 8.4973 8.4973 9.5850 9.5850 10.2291 10.2291 11.1022 11.1022 11.1370 11.1370 11.5450 11.5450 11.8807 11.8807 11.9574 11.9574 12.0199 12.0199 12.5524 12.5524 13.3547 13.3547 13.4557 13.4557 13.6968 13.6968 13.8253 13.8253 14.1320 14.1320 14.7297 14.7297 k = 0.5000 0.1155 0.4491 ( 1606 PWs) bands (ev): 4.7390 4.7390 7.3934 7.3934 8.5453 8.5453 9.5938 9.5938 10.2466 10.2466 11.0961 11.0961 11.1318 11.1318 11.5624 11.5624 11.8650 11.8650 11.9522 11.9522 12.0252 12.0252 12.5419 12.5419 13.3652 13.3652 13.4630 13.4630 13.7024 13.7024 13.8221 13.8221 14.1244 14.1244 14.8155 14.8155 k = 0.5000 0.1227 0.4389 ( 1608 PWs) bands (ev): 4.7153 4.7153 7.3411 7.3411 8.5942 8.5942 9.5969 9.5969 10.2695 10.2695 11.0899 11.0899 11.1264 11.1264 11.5788 11.5788 11.8405 11.8405 11.9545 11.9545 12.0323 12.0323 12.5304 12.5304 13.3770 13.3770 13.4713 13.4713 13.7072 13.7072 13.8171 13.8171 14.1167 14.1167 14.9053 14.9053 k = 0.5000 0.1299 0.4287 ( 1602 PWs) bands (ev): 4.6917 4.6917 7.2902 7.2902 8.6437 8.6437 9.5951 9.5951 10.2972 10.2972 11.0838 11.0838 11.1210 11.1210 11.5937 11.5937 11.8122 11.8122 11.9612 11.9612 12.0402 12.0402 12.5180 12.5180 13.3903 13.3903 13.4807 13.4807 13.7115 13.7115 13.8107 13.8107 14.1089 14.1089 14.9987 14.9987 k = 0.5000 0.1371 0.4185 ( 1604 PWs) bands (ev): 4.6682 4.6682 7.2407 7.2407 8.6937 8.6937 9.5891 9.5891 10.3287 10.3287 11.0777 11.0777 11.1155 11.1155 11.6066 11.6066 11.7827 11.7827 11.9698 11.9698 12.0482 12.0482 12.5045 12.5045 13.4048 13.4048 13.4907 13.4907 13.7150 13.7150 13.8030 13.8030 14.1011 14.1011 15.0953 15.0953 k = 0.5000 0.1443 0.4082 ( 1614 PWs) bands (ev): 4.6450 4.6450 7.1927 7.1927 8.7437 8.7437 9.5798 9.5798 10.3634 10.3634 11.0718 11.0718 11.1099 11.1099 11.6170 11.6170 11.7534 11.7534 11.9794 11.9794 12.0565 12.0565 12.4900 12.4900 13.4202 13.4202 13.5013 13.5013 13.7178 13.7178 13.7941 13.7941 14.0934 14.0934 15.1948 15.1948 k = 0.5000 0.1516 0.3980 ( 1606 PWs) bands (ev): 4.6223 4.6223 7.1465 7.1465 8.7937 8.7937 9.5682 9.5682 10.4006 10.4006 11.0661 11.0661 11.1045 11.1045 11.6244 11.6244 11.7253 11.7253 11.9899 11.9899 12.0654 12.0654 12.4747 12.4747 13.4370 13.4370 13.5124 13.5124 13.7201 13.7201 13.7847 13.7847 14.0861 14.0861 15.2975 15.2975 k = 0.5000 0.1588 0.3878 ( 1604 PWs) bands (ev): 4.6002 4.6002 7.1021 7.1021 8.8431 8.8431 9.5548 9.5548 10.4394 10.4394 11.0608 11.0608 11.0991 11.0991 11.6278 11.6278 11.6992 11.6992 12.0008 12.0008 12.0746 12.0746 12.4587 12.4587 13.4547 13.4547 13.5237 13.5237 13.7217 13.7217 13.7747 13.7747 14.0791 14.0791 15.4026 15.4026 k = 0.5000 0.1660 0.3776 ( 1602 PWs) bands (ev): 4.5787 4.5787 7.0597 7.0597 8.8917 8.8917 9.5402 9.5402 10.4795 10.4795 11.0559 11.0559 11.0939 11.0939 11.6256 11.6256 11.6767 11.6767 12.0121 12.0121 12.0844 12.0844 12.4420 12.4420 13.4731 13.4731 13.5351 13.5351 13.7226 13.7226 13.7643 13.7643 14.0725 14.0725 15.5103 15.5103 k = 0.5000 0.1732 0.3674 ( 1600 PWs) bands (ev): 4.5580 4.5580 7.0192 7.0192 8.9394 8.9394 9.5250 9.5250 10.5204 10.5204 11.0514 11.0514 11.0889 11.0889 11.6156 11.6156 11.6599 11.6599 12.0238 12.0238 12.0947 12.0947 12.4249 12.4249 13.4920 13.4920 13.5462 13.5462 13.7230 13.7230 13.7538 13.7538 14.0665 14.0665 15.6205 15.6206 k = 0.5000 0.1804 0.3572 ( 1598 PWs) bands (ev): 4.5381 4.5381 6.9809 6.9809 8.9856 8.9856 9.5095 9.5095 10.5616 10.5616 11.0475 11.0475 11.0840 11.0840 11.5985 11.5985 11.6481 11.6481 12.0357 12.0357 12.1055 12.1055 12.4074 12.4074 13.5112 13.5112 13.5571 13.5571 13.7226 13.7226 13.7434 13.7434 14.0610 14.0610 15.7330 15.7330 k = 0.5000 0.1876 0.3470 ( 1602 PWs) bands (ev): 4.5191 4.5191 6.9447 6.9447 9.0303 9.0303 9.4941 9.4941 10.6030 10.6030 11.0441 11.0441 11.0794 11.0794 11.5782 11.5782 11.6375 11.6375 12.0477 12.0477 12.1166 12.1166 12.3899 12.3899 13.5305 13.5305 13.5673 13.5673 13.7211 13.7211 13.7337 13.7337 14.0562 14.0562 15.8477 15.8477 k = 0.5000 0.1949 0.3368 ( 1602 PWs) bands (ev): 4.5012 4.5012 6.9108 6.9108 9.0732 9.0732 9.4789 9.4789 10.6442 10.6442 11.0414 11.0414 11.0750 11.0750 11.5574 11.5574 11.6259 11.6259 12.0598 12.0598 12.1279 12.1279 12.3725 12.3725 13.5494 13.5494 13.5770 13.5770 13.7167 13.7167 13.7269 13.7269 14.0521 14.0521 15.9645 15.9646 k = 0.5000 0.2021 0.3266 ( 1606 PWs) bands (ev): 4.4843 4.4843 6.8792 6.8792 9.1140 9.1140 9.4643 9.4643 10.6852 10.6852 11.0393 11.0393 11.0708 11.0708 11.5368 11.5368 11.6123 11.6123 12.0717 12.0717 12.1392 12.1392 12.3555 12.3555 13.5675 13.5675 13.5862 13.5862 13.7085 13.7085 13.7242 13.7242 14.0486 14.0486 16.0834 16.0834 k = 0.5000 0.2093 0.3164 ( 1604 PWs) bands (ev): 4.4686 4.4686 6.8499 6.8499 9.1525 9.1525 9.4504 9.4504 10.7256 10.7256 11.0380 11.0380 11.0669 11.0669 11.5173 11.5173 11.5969 11.5969 12.0831 12.0831 12.1504 12.1504 12.3392 12.3392 13.5828 13.5828 13.5963 13.5963 13.6993 13.6993 13.7231 13.7231 14.0458 14.0458 16.2042 16.2042 k = 0.5000 0.2165 0.3062 ( 1606 PWs) bands (ev): 4.4541 4.4541 6.8231 6.8231 9.1884 9.1884 9.4374 9.4374 10.7653 10.7653 11.0374 11.0374 11.0634 11.0634 11.4987 11.4987 11.5796 11.5796 12.0940 12.0940 12.1614 12.1614 12.3238 12.3238 13.5926 13.5926 13.6098 13.6098 13.6904 13.6904 13.7227 13.7227 14.0435 14.0435 16.3268 16.3268 k = 0.5000 0.2237 0.2960 ( 1610 PWs) bands (ev): 4.4408 4.4408 6.7986 6.7986 9.2215 9.2215 9.4252 9.4252 10.8039 10.8039 11.0374 11.0374 11.0601 11.0601 11.4812 11.4812 11.5608 11.5608 12.1038 12.1038 12.1719 12.1719 12.3096 12.3096 13.5981 13.5981 13.6249 13.6249 13.6820 13.6820 13.7228 13.7228 14.0419 14.0419 16.4510 16.4510 k = 0.5000 0.2309 0.2858 ( 1606 PWs) bands (ev): 4.4288 4.4288 6.7767 6.7767 9.2518 9.2518 9.4142 9.4142 10.8415 10.8415 11.0380 11.0380 11.0573 11.0573 11.4650 11.4650 11.5410 11.5410 12.1125 12.1125 12.1818 12.1818 12.2969 12.2969 13.6013 13.6013 13.6396 13.6396 13.6746 13.6746 13.7238 13.7238 14.0407 14.0407 16.5767 16.5767 k = 0.5000 0.2382 0.2756 ( 1606 PWs) bands (ev): 4.4181 4.4181 6.7572 6.7572 9.2788 9.2788 9.4044 9.4044 10.8774 10.8774 11.0390 11.0390 11.0548 11.0548 11.4500 11.4500 11.5205 11.5205 12.1198 12.1198 12.1909 12.1909 12.2859 12.2859 13.6028 13.6028 13.6527 13.6527 13.6681 13.6681 13.7254 13.7254 14.0399 14.0399 16.7035 16.7035 k = 0.5000 0.2454 0.2654 ( 1606 PWs) bands (ev): 4.4088 4.4088 6.7403 6.7403 9.3025 9.3025 9.3958 9.3958 10.9113 10.9113 11.0403 11.0403 11.0528 11.0528 11.4361 11.4361 11.5001 11.5001 12.1255 12.1255 12.1991 12.1991 12.2767 12.2767 13.6032 13.6032 13.6604 13.6604 13.6664 13.6664 13.7277 13.7277 14.0393 14.0393 16.8309 16.8309 k = 0.5000 0.2526 0.2552 ( 1606 PWs) bands (ev): 4.4009 4.4009 6.7260 6.7260 9.3227 9.3227 9.3884 9.3884 10.9425 10.9425 11.0419 11.0419 11.0513 11.0513 11.4233 11.4233 11.4807 11.4807 12.1297 12.1297 12.2063 12.2063 12.2696 12.2696 13.6026 13.6026 13.6567 13.6567 13.6750 13.6750 13.7305 13.7305 14.0391 14.0391 16.9583 16.9583 k = 0.5000 0.2598 0.2449 ( 1600 PWs) bands (ev): 4.3944 4.3944 6.7142 6.7142 9.3393 9.3393 9.3828 9.3828 10.9703 10.9703 11.0434 11.0434 11.0506 11.0506 11.4116 11.4116 11.4633 11.4633 12.1325 12.1325 12.2123 12.2123 12.2645 12.2645 13.6016 13.6016 13.6530 13.6530 13.6826 13.6826 13.7336 13.7336 14.0390 14.0390 17.0846 17.0846 k = 0.5000 0.2670 0.2347 ( 1602 PWs) bands (ev): 4.3893 4.3893 6.7051 6.7051 9.3517 9.3517 9.3787 9.3787 10.9933 10.9933 11.0447 11.0447 11.0508 11.0508 11.4010 11.4010 11.4489 11.4489 12.1341 12.1341 12.2170 12.2170 12.2609 12.2609 13.6004 13.6004 13.6500 13.6500 13.6883 13.6883 13.7365 13.7365 14.0389 14.0389 17.2081 17.2081 k = 0.5000 0.2742 0.2245 ( 1610 PWs) bands (ev): 4.3856 4.3856 6.6985 6.6985 9.3597 9.3597 9.3767 9.3767 11.0100 11.0100 11.0456 11.0456 11.0519 11.0519 11.3920 11.3920 11.4383 11.4383 12.1348 12.1348 12.2203 12.2203 12.2587 12.2587 13.5992 13.5992 13.6478 13.6478 13.6921 13.6921 13.7390 13.7390 14.0388 14.0388 17.3257 17.3257 k = 0.5000 0.2815 0.2143 ( 1618 PWs) bands (ev): 4.3834 4.3834 6.6946 6.6946 9.3631 9.3631 9.3769 9.3769 11.0195 11.0195 11.0463 11.0463 11.0536 11.0536 11.3857 11.3857 11.4319 11.4319 12.1351 12.1351 12.2223 12.2223 12.2575 12.2575 13.5983 13.5983 13.6464 13.6464 13.6943 13.6943 13.7406 13.7406 14.0388 14.0388 17.4315 17.4315 k = 0.5000 0.2887 0.2041 ( 1622 PWs) bands (ev): 4.3827 4.3827 6.6932 6.6932 9.3638 9.3638 9.3774 9.3774 11.0224 11.0224 11.0465 11.0465 11.0546 11.0546 11.3834 11.3834 11.4298 11.4298 12.1352 12.1352 12.2229 12.2229 12.2571 12.2571 13.5980 13.5980 13.6460 13.6460 13.6951 13.6951 13.7411 13.7411 14.0388 14.0388 17.4927 17.4927 k = 0.5000 0.2887 0.2041 ( 1622 PWs) bands (ev): 4.3827 4.3827 6.6932 6.6932 9.3638 9.3638 9.3774 9.3774 11.0224 11.0224 11.0465 11.0465 11.0546 11.0546 11.3834 11.3834 11.4298 11.4298 12.1352 12.1352 12.2229 12.2229 12.2571 12.2571 13.5980 13.5980 13.6460 13.6460 13.6951 13.6951 13.7411 13.7411 14.0388 14.0388 17.4927 17.4927 k = 0.4964 0.2866 0.2158 ( 1615 PWs) bands (ev): 4.3834 4.3834 6.6945 6.6945 9.3631 9.3631 9.3769 9.3769 11.0196 11.0196 11.0464 11.0464 11.0537 11.0537 11.3857 11.3857 11.4319 11.4319 12.1351 12.1351 12.2223 12.2223 12.2575 12.2575 13.5984 13.5984 13.6465 13.6465 13.6944 13.6944 13.7406 13.7406 14.0388 14.0388 17.4324 17.4325 k = 0.4929 0.2846 0.2275 ( 1605 PWs) bands (ev): 4.3855 4.3855 6.6984 6.6984 9.3598 9.3598 9.3767 9.3767 11.0103 11.0103 11.0457 11.0457 11.0521 11.0521 11.3919 11.3919 11.4382 11.4382 12.1349 12.1349 12.2205 12.2205 12.2586 12.2586 13.5993 13.5993 13.6478 13.6478 13.6922 13.6922 13.7390 13.7390 14.0388 14.0388 17.3274 17.3274 k = 0.4893 0.2825 0.2391 ( 1601 PWs) bands (ev): 4.3891 4.3891 6.7048 6.7048 9.3520 9.3520 9.3786 9.3786 10.9940 10.9940 11.0439 11.0439 11.0516 11.0516 11.4007 11.4007 11.4485 11.4485 12.1342 12.1342 12.2172 12.2172 12.2608 12.2608 13.6003 13.6003 13.6499 13.6499 13.6884 13.6884 13.7366 13.7366 14.0390 14.0390 17.2093 17.2093 k = 0.4857 0.2804 0.2508 ( 1601 PWs) bands (ev): 4.3941 4.3941 6.7138 6.7138 9.3398 9.3398 9.3826 9.3826 10.9715 10.9715 11.0411 11.0411 11.0528 11.0528 11.4112 11.4112 11.4626 11.4626 12.1326 12.1326 12.2126 12.2126 12.2642 12.2642 13.6015 13.6015 13.6528 13.6528 13.6828 13.6828 13.7338 13.7338 14.0390 14.0390 17.0836 17.0836 k = 0.4821 0.2784 0.2624 ( 1608 PWs) bands (ev): 4.4005 4.4005 6.7253 6.7253 9.3235 9.3235 9.3882 9.3882 10.9443 10.9443 11.0376 11.0376 11.0554 11.0554 11.4226 11.4226 11.4797 11.4797 12.1299 12.1299 12.2068 12.2068 12.2692 12.2692 13.6025 13.6025 13.6564 13.6564 13.6753 13.6753 13.7309 13.7309 14.0390 14.0390 16.9533 16.9533 k = 0.4786 0.2763 0.2741 ( 1609 PWs) bands (ev): 4.4083 4.4083 6.7394 6.7394 9.3036 9.3036 9.3954 9.3954 10.9137 10.9137 11.0337 11.0337 11.0592 11.0592 11.4351 11.4351 11.4988 11.4988 12.1258 12.1258 12.1999 12.1999 12.2759 12.2759 13.6031 13.6031 13.6599 13.6599 13.6667 13.6667 13.7285 13.7285 14.0392 14.0392 16.8201 16.8201 k = 0.4750 0.2742 0.2858 ( 1607 PWs) bands (ev): 4.4174 4.4174 6.7559 6.7559 9.2802 9.2802 9.4041 9.4041 10.8804 10.8804 11.0294 11.0294 11.0642 11.0642 11.4487 11.4487 11.5188 11.5188 12.1203 12.1203 12.1922 12.1922 12.2844 12.2844 13.6027 13.6027 13.6527 13.6527 13.6676 13.6676 13.7271 13.7271 14.0394 14.0394 16.6856 16.6856 k = 0.4714 0.2722 0.2974 ( 1605 PWs) bands (ev): 4.4279 4.4279 6.7750 6.7750 9.2535 9.2535 9.4142 9.4142 10.8451 10.8451 11.0249 11.0249 11.0703 11.0703 11.4633 11.4633 11.5390 11.5390 12.1133 12.1133 12.1837 12.1837 12.2947 12.2947 13.6010 13.6010 13.6393 13.6393 13.6736 13.6736 13.7270 13.7270 14.0398 14.0398 16.5506 16.5506 k = 0.4679 0.2701 0.3091 ( 1609 PWs) bands (ev): 4.4396 4.4396 6.7965 6.7965 9.2234 9.2234 9.4253 9.4253 10.8080 10.8080 11.0202 11.0202 11.0776 11.0776 11.4787 11.4787 11.5584 11.5584 12.1051 12.1051 12.1745 12.1745 12.3065 12.3065 13.5974 13.5974 13.6241 13.6241 13.6806 13.6806 13.7282 13.7282 14.0404 14.0404 16.4159 16.4159 k = 0.4643 0.2681 0.3208 ( 1605 PWs) bands (ev): 4.4527 4.4527 6.8204 6.8204 9.1903 9.1903 9.4379 9.4379 10.7696 10.7696 11.0156 11.0156 11.0861 11.0861 11.4952 11.4952 11.5768 11.5768 12.0960 12.0960 12.1648 12.1648 12.3196 12.3196 13.5910 13.5910 13.6085 13.6085 13.6885 13.6885 13.7312 13.7312 14.0412 14.0412 16.2822 16.2822 k = 0.4607 0.2660 0.3324 ( 1605 PWs) bands (ev): 4.4669 4.4669 6.8468 6.8468 9.1542 9.1542 9.4517 9.4517 10.7301 10.7301 11.0110 11.0110 11.0959 11.0959 11.5126 11.5126 11.5935 11.5935 12.0863 12.0863 12.1547 12.1547 12.3336 12.3336 13.5798 13.5798 13.5946 13.5946 13.6970 13.6970 13.7356 13.7356 14.0419 14.0419 16.1502 16.1502 k = 0.4571 0.2639 0.3441 ( 1599 PWs) bands (ev): 4.4823 4.4823 6.8755 6.8755 9.1154 9.1154 9.4668 9.4668 10.6897 10.6897 11.0066 11.0066 11.1070 11.1070 11.5307 11.5307 11.6083 11.6083 12.0763 12.0763 12.1444 12.1444 12.3484 12.3484 13.5630 13.5630 13.5836 13.5836 13.7060 13.7060 13.7416 13.7416 14.0428 14.0428 16.0202 16.0202 k = 0.4536 0.2619 0.3558 ( 1595 PWs) bands (ev): 4.4988 4.4988 6.9064 6.9064 9.0739 9.0739 9.4830 9.4830 10.6485 10.6485 11.0025 11.0025 11.1193 11.1193 11.5494 11.5494 11.6209 11.6209 12.0663 12.0663 12.1342 12.1342 12.3635 12.3635 13.5436 13.5436 13.5731 13.5731 13.7155 13.7155 13.7488 13.7488 14.0438 14.0438 15.8929 15.8929 k = 0.4500 0.2598 0.3674 ( 1594 PWs) bands (ev): 4.5164 4.5164 6.9397 6.9397 9.0300 9.0300 9.5003 9.5003 10.6066 10.6066 10.9987 10.9987 11.1327 11.1327 11.5681 11.5681 11.6311 11.6311 12.0563 12.0563 12.1242 12.1242 12.3787 12.3787 13.5232 13.5232 13.5616 13.5616 13.7254 13.7254 13.7572 13.7572 14.0446 14.0446 15.7685 15.7685 k = 0.4464 0.2577 0.3791 ( 1594 PWs) bands (ev): 4.5349 4.5349 6.9751 6.9751 8.9838 8.9838 9.5187 9.5187 10.5640 10.5640 10.9951 10.9951 11.1472 11.1472 11.5863 11.5863 11.6395 11.6395 12.0464 12.0464 12.1151 12.1151 12.3938 12.3938 13.5025 13.5025 13.5491 13.5491 13.7354 13.7354 13.7666 13.7666 14.0454 14.0454 15.6474 15.6474 k = 0.4429 0.2557 0.3908 ( 1598 PWs) bands (ev): 4.5544 4.5544 7.0126 7.0126 8.9354 8.9354 9.5381 9.5381 10.5211 10.5211 10.9919 10.9919 11.1628 11.1628 11.6022 11.6022 11.6474 11.6474 12.0364 12.0364 12.1073 12.1073 12.4084 12.4084 13.4818 13.4818 13.5354 13.5354 13.7456 13.7456 13.7767 13.7767 14.0461 14.0461 15.5300 15.5300 k = 0.4393 0.2536 0.4024 ( 1598 PWs) bands (ev): 4.5747 4.5747 7.0522 7.0522 8.8854 8.8854 9.5585 9.5585 10.4780 10.4780 10.9891 10.9891 11.1792 11.1792 11.6129 11.6129 11.6578 11.6578 12.0258 12.0258 12.1014 12.1014 12.4225 12.4225 13.4615 13.4615 13.5208 13.5208 13.7559 13.7559 13.7877 13.7877 14.0466 14.0466 15.4168 15.4168 k = 0.4357 0.2516 0.4141 ( 1598 PWs) bands (ev): 4.5957 4.5957 7.0938 7.0938 8.8336 8.8336 9.5798 9.5798 10.4346 10.4346 10.9868 10.9868 11.1964 11.1964 11.6160 11.6160 11.6731 11.6731 12.0144 12.0144 12.0977 12.0977 12.4359 12.4359 13.4421 13.4421 13.5053 13.5053 13.7661 13.7661 13.7993 13.7993 14.0469 14.0469 15.3080 15.3080 k = 0.4321 0.2495 0.4257 ( 1598 PWs) bands (ev): 4.6173 4.6173 7.1371 7.1371 8.7804 8.7804 9.6021 9.6021 10.3912 10.3912 10.9851 10.9851 11.2141 11.2141 11.6131 11.6131 11.6920 11.6920 12.0022 12.0022 12.0964 12.0964 12.4483 12.4483 13.4236 13.4236 13.4890 13.4890 13.7761 13.7761 13.8114 13.8114 14.0469 14.0469 15.2038 15.2038 k = 0.4286 0.2474 0.4374 ( 1599 PWs) bands (ev): 4.6395 4.6395 7.1822 7.1822 8.7261 8.7261 9.6251 9.6251 10.3480 10.3480 10.9837 10.9837 11.2320 11.2320 11.6061 11.6061 11.7126 11.7126 11.9891 11.9891 12.0973 12.0973 12.4597 12.4597 13.4064 13.4064 13.4719 13.4719 13.7858 13.7858 13.8239 13.8239 14.0467 14.0467 15.1046 15.1046 k = 0.4250 0.2454 0.4491 ( 1601 PWs) bands (ev): 4.6620 4.6620 7.2288 7.2288 8.6707 8.6707 9.6489 9.6489 10.3050 10.3050 10.9828 10.9828 11.2500 11.2500 11.5964 11.5964 11.7337 11.7337 11.9756 11.9756 12.1001 12.1001 12.4700 12.4700 13.3905 13.3905 13.4541 13.4541 13.7949 13.7949 13.8369 13.8369 14.0463 14.0463 15.0106 15.0106 k = 0.4214 0.2433 0.4607 ( 1603 PWs) bands (ev): 4.6847 4.6847 7.2768 7.2768 8.6147 8.6147 9.6733 9.6733 10.2624 10.2624 10.9823 10.9823 11.2676 11.2676 11.5847 11.5847 11.7547 11.7547 11.9621 11.9621 12.1043 12.1043 12.4791 12.4791 13.3764 13.3764 13.4358 13.4358 13.8035 13.8035 13.8501 13.8501 14.0457 14.0457 14.9221 14.9221 k = 0.4179 0.2412 0.4724 ( 1607 PWs) bands (ev): 4.7075 4.7075 7.3259 7.3259 8.5585 8.5585 9.6984 9.6984 10.2206 10.2206 10.9823 10.9823 11.2845 11.2845 11.5719 11.5719 11.7744 11.7744 11.9495 11.9495 12.1097 12.1097 12.4874 12.4874 13.3638 13.3638 13.4169 13.4169 13.8109 13.8109 13.8637 13.8637 14.0449 14.0449 14.8393 14.8393 k = 0.4143 0.2392 0.4841 ( 1607 PWs) bands (ev): 4.7302 4.7302 7.3759 7.3759 8.5023 8.5023 9.7240 9.7240 10.1797 10.1797 10.9829 10.9829 11.3002 11.3002 11.5585 11.5585 11.7919 11.7919 11.9391 11.9391 12.1160 12.1160 12.4948 12.4948 13.3531 13.3531 13.3976 13.3976 13.8172 13.8172 13.8774 13.8774 14.0441 14.0441 14.7625 14.7625 k = 0.4107 0.2371 0.4957 ( 1609 PWs) bands (ev): 4.7527 4.7527 7.4262 7.4262 8.4468 8.4468 9.7500 9.7500 10.1399 10.1399 10.9838 10.9838 11.3142 11.3142 11.5449 11.5449 11.8050 11.8050 11.9327 11.9327 12.1230 12.1230 12.5014 12.5014 13.3441 13.3441 13.3781 13.3781 13.8219 13.8219 13.8913 13.8913 14.0434 14.0434 14.6918 14.6918 k = 0.4071 0.2351 0.5074 ( 1613 PWs) bands (ev): 4.7746 4.7746 7.4763 7.4763 8.3927 8.3927 9.7763 9.7763 10.1013 10.1013 10.9853 10.9853 11.3260 11.3260 11.5318 11.5318 11.8113 11.8113 11.9328 11.9328 12.1304 12.1304 12.5075 12.5075 13.3363 13.3363 13.3588 13.3588 13.8249 13.8249 13.9051 13.9051 14.0429 14.0429 14.6273 14.6273 k = 0.4036 0.2330 0.5191 ( 1611 PWs) bands (ev): 4.7959 4.7959 7.5253 7.5253 8.3410 8.3410 9.8029 9.8029 10.0643 10.0643 10.9871 10.9871 11.3348 11.3348 11.5195 11.5195 11.8100 11.8100 11.9406 11.9406 12.1385 12.1385 12.5135 12.5135 13.3275 13.3275 13.3423 13.3423 13.8258 13.8258 13.9191 13.9191 14.0429 14.0429 14.5693 14.5693 k = 0.4000 0.2309 0.5307 ( 1617 PWs) bands (ev): 4.8162 4.8162 7.5722 7.5722 8.2929 8.2929 9.8296 9.8296 10.0291 10.0291 10.9892 10.9892 11.3401 11.3401 11.5084 11.5084 11.8021 11.8021 11.9544 11.9544 12.1468 12.1468 12.5197 12.5197 13.3114 13.3114 13.3343 13.3343 13.8244 13.8244 13.9327 13.9327 14.0432 14.0432 14.5176 14.5176 k = 0.3964 0.2289 0.5424 ( 1615 PWs) bands (ev): 4.8353 4.8353 7.6150 7.6150 8.2505 8.2505 9.8563 9.8563 9.9958 9.9958 10.9918 10.9918 11.3416 11.3416 11.4985 11.4985 11.7904 11.7904 11.9720 11.9720 12.1555 12.1555 12.5266 12.5266 13.2915 13.2915 13.3320 13.3320 13.8205 13.8205 13.9459 13.9459 14.0444 14.0444 14.4723 14.4723 k = 0.3929 0.2268 0.5541 ( 1612 PWs) bands (ev): 4.8529 4.8529 7.6512 7.6512 8.2166 8.2166 9.8829 9.8829 9.9649 9.9649 10.9946 10.9946 11.3390 11.3390 11.4900 11.4900 11.7763 11.7763 11.9918 11.9918 12.1644 12.1644 12.5347 12.5347 13.2705 13.2705 13.3323 13.3323 13.8143 13.8143 13.9585 13.9585 14.0461 14.0461 14.4334 14.4334 k = 0.3893 0.2248 0.5657 ( 1610 PWs) bands (ev): 4.8687 4.8687 7.6776 7.6776 8.1946 8.1946 9.9090 9.9090 9.9366 9.9366 10.9976 10.9976 11.3328 11.3328 11.4821 11.4821 11.7611 11.7611 12.0124 12.0124 12.1735 12.1735 12.5444 12.5444 13.2492 13.2492 13.3344 13.3344 13.8059 13.8059 13.9701 13.9701 14.0485 14.0485 14.4005 14.4005 k = 0.3857 0.2227 0.5774 ( 1614 PWs) bands (ev): 4.8825 4.8825 7.6909 7.6909 8.1878 8.1878 9.9091 9.9091 9.9365 9.9365 11.0007 11.0007 11.3233 11.3233 11.4744 11.4744 11.7454 11.7454 12.0331 12.0331 12.1825 12.1825 12.5561 12.5561 13.2275 13.2275 13.3380 13.3380 13.7957 13.7957 13.9801 13.9802 14.0513 14.0513 14.3733 14.3733 k = 0.3821 0.2206 0.5890 ( 1614 PWs) bands (ev): 4.8937 4.8937 7.6898 7.6898 8.1980 8.1980 9.8861 9.8861 9.9618 9.9618 11.0039 11.0039 11.3111 11.3111 11.4662 11.4662 11.7296 11.7296 12.0537 12.0537 12.1911 12.1911 12.5703 12.5703 13.2059 13.2059 13.3431 13.3431 13.7840 13.7840 13.9881 13.9881 14.0544 14.0544 14.3515 14.3515 k = 0.3786 0.2186 0.6007 ( 1614 PWs) bands (ev): 4.9023 4.9023 7.6758 7.6758 8.2239 8.2239 9.8658 9.8658 9.9868 9.9868 11.0071 11.0071 11.2966 11.2966 11.4574 11.4574 11.7139 11.7139 12.0737 12.0737 12.1994 12.1994 12.5874 12.5874 13.1842 13.1842 13.3495 13.3495 13.7714 13.7714 13.9929 13.9929 14.0577 14.0577 14.3347 14.3347 k = 0.3750 0.2165 0.6124 ( 1608 PWs) bands (ev): 4.9077 4.9077 7.6522 7.6522 8.2624 8.2624 9.8486 9.8486 10.0112 10.0112 11.0101 11.0101 11.2801 11.2801 11.4477 11.4477 11.6986 11.6986 12.0928 12.0928 12.2071 12.2071 12.6076 12.6076 13.1627 13.1627 13.3572 13.3572 13.7583 13.7583 13.9937 13.9937 14.0610 14.0610 14.3226 14.3226 k = 0.6250-0.0722 0.4082 ( 1608 PWs) bands (ev): 4.9077 4.9077 7.6522 7.6522 8.2624 8.2624 9.8486 9.8486 10.0112 10.0112 11.0101 11.0101 11.2801 11.2801 11.4477 11.4477 11.6986 11.6986 12.0928 12.0928 12.2071 12.2071 12.6076 12.6076 13.1627 13.1627 13.3572 13.3572 13.7583 13.7583 13.9937 13.9937 14.0610 14.0610 14.3225 14.3226 k = 0.6188-0.0830 0.4082 ( 1612 PWs) bands (ev): 4.9131 4.9131 7.6060 7.6060 8.3400 8.3400 9.8212 9.8212 10.0534 10.0534 11.0154 11.0154 11.2489 11.2489 11.4295 11.4295 11.6723 11.6723 12.1248 12.1248 12.2204 12.2204 12.6463 12.6463 13.1242 13.1242 13.3717 13.3717 13.7359 13.7359 13.9907 13.9907 14.0661 14.0661 14.3055 14.3055 k = 0.6125-0.0938 0.4082 ( 1612 PWs) bands (ev): 4.9163 4.9163 7.5619 7.5619 8.4201 8.4201 9.7946 9.7946 10.0960 10.0960 11.0215 11.0215 11.2163 11.2163 11.4105 11.4105 11.6465 11.6465 12.1559 12.1559 12.2350 12.2350 12.6860 12.6860 13.0842 13.0842 13.3866 13.3866 13.7152 13.7152 13.9876 13.9876 14.0695 14.0695 14.2851 14.2851 k = 0.6062-0.1046 0.4082 ( 1612 PWs) bands (ev): 4.9176 4.9176 7.5200 7.5200 8.5021 8.5021 9.7688 9.7688 10.1388 10.1388 11.0282 11.0282 11.1824 11.1824 11.3912 11.3912 11.6210 11.6210 12.1860 12.1860 12.2510 12.2510 12.7264 12.7264 13.0428 13.0428 13.4015 13.4015 13.6960 13.6960 13.9845 13.9845 14.0709 14.0709 14.2351 14.2351 k = 0.6000-0.1155 0.4082 ( 1604 PWs) bands (ev): 4.9174 4.9174 7.4803 7.4803 8.5856 8.5856 9.7441 9.7441 10.1818 10.1818 11.0355 11.0355 11.1473 11.1473 11.3723 11.3723 11.5960 11.5960 12.2148 12.2148 12.2684 12.2684 12.7669 12.7669 13.0004 13.0004 13.4164 13.4164 13.6782 13.6782 13.9813 13.9813 14.0701 14.0701 14.1840 14.1840 k = 0.5938-0.1263 0.4082 ( 1604 PWs) bands (ev): 4.9159 4.9159 7.4428 7.4428 8.6698 8.6698 9.7204 9.7204 10.2246 10.2246 11.0434 11.0434 11.1111 11.1111 11.3531 11.3531 11.5714 11.5714 12.2422 12.2422 12.2872 12.2872 12.8068 12.8068 12.9574 12.9574 13.4309 13.4309 13.6618 13.6618 13.9778 13.9778 14.0667 14.0667 14.1369 14.1369 k = 0.5875-0.1371 0.4082 ( 1606 PWs) bands (ev): 4.9133 4.9133 7.4076 7.4076 8.7542 8.7542 9.6977 9.6977 10.2671 10.2671 11.0519 11.0519 11.0740 11.0740 11.3343 11.3343 11.5472 11.5472 12.2682 12.2682 12.3074 12.3074 12.8447 12.8447 12.9154 12.9154 13.4449 13.4449 13.6468 13.6468 13.9738 13.9738 14.0587 14.0587 14.0961 14.0961 k = 0.5813-0.1479 0.4082 ( 1614 PWs) bands (ev): 4.9100 4.9100 7.3747 7.3747 8.8382 8.8382 9.6763 9.6763 10.3091 10.3091 11.0359 11.0359 11.0609 11.0609 11.3161 11.3161 11.5235 11.5235 12.2927 12.2927 12.3284 12.3284 12.8575 12.8575 12.8973 12.8973 13.4581 13.4581 13.6330 13.6330 13.9685 13.9685 14.0392 14.0392 14.0697 14.0697 k = 0.5750-0.1588 0.4082 ( 1614 PWs) bands (ev): 4.9062 4.9062 7.3442 7.3442 8.9212 8.9212 9.6562 9.6562 10.3503 10.3503 10.9973 10.9973 11.0705 11.0705 11.2988 11.2988 11.5003 11.5003 12.3161 12.3161 12.3502 12.3502 12.8196 12.8196 12.9291 12.9291 13.4704 13.4704 13.6205 13.6205 13.9598 13.9598 14.0118 14.0118 14.0567 14.0567 k = 0.5687-0.1696 0.4082 ( 1614 PWs) bands (ev): 4.9020 4.9020 7.3160 7.3160 9.0026 9.0026 9.6376 9.6376 10.3904 10.3904 10.9583 10.9583 11.0807 11.0807 11.2825 11.2825 11.4777 11.4777 12.3385 12.3385 12.3720 12.3720 12.7770 12.7770 12.9650 12.9650 13.4817 13.4817 13.6092 13.6092 13.9433 13.9433 13.9918 13.9918 14.0463 14.0463 k = 0.5625-0.1804 0.4082 ( 1616 PWs) bands (ev): 4.8976 4.8976 7.2901 7.2901 9.0817 9.0817 9.6203 9.6203 10.4291 10.4291 10.9192 10.9192 11.0914 11.0914 11.2673 11.2673 11.4557 11.4557 12.3599 12.3599 12.3934 12.3934 12.7349 12.7349 12.9997 12.9997 13.4918 13.4918 13.5991 13.5991 13.9193 13.9193 13.9817 13.9817 14.0358 14.0358 k = 0.5563-0.1912 0.4082 ( 1610 PWs) bands (ev): 4.8932 4.8932 7.2667 7.2667 9.1578 9.1578 9.6047 9.6047 10.4661 10.4661 10.8804 10.8804 11.1025 11.1025 11.2533 11.2533 11.4343 11.4343 12.3801 12.3801 12.4139 12.4139 12.6945 12.6945 13.0331 13.0331 13.5008 13.5008 13.5902 13.5902 13.8935 13.8935 13.9764 13.9764 14.0253 14.0253 k = 0.5500-0.2021 0.4082 ( 1612 PWs) bands (ev): 4.8889 4.8889 7.2457 7.2457 9.2301 9.2301 9.5906 9.5906 10.5009 10.5009 10.8421 10.8421 11.1140 11.1140 11.2406 11.2406 11.4136 11.4136 12.3989 12.3989 12.4332 12.4332 12.6565 12.6565 13.0640 13.0640 13.5083 13.5083 13.5826 13.5826 13.8689 13.8689 13.9730 13.9730 14.0148 14.0148 k = 0.5437-0.2129 0.4082 ( 1614 PWs) bands (ev): 4.8849 4.8849 7.2271 7.2271 9.2978 9.2978 9.5782 9.5782 10.5332 10.5332 10.8051 10.8051 11.1258 11.1258 11.2292 11.2292 11.3936 11.3936 12.4159 12.4159 12.4508 12.4508 12.6218 12.6218 13.0925 13.0925 13.5142 13.5142 13.5763 13.5763 13.8466 13.8466 13.9705 13.9705 14.0045 14.0045 k = 0.5375-0.2237 0.4082 ( 1614 PWs) bands (ev): 4.8812 4.8812 7.2110 7.2110 9.3598 9.3598 9.5677 9.5677 10.5624 10.5624 10.7700 10.7700 11.1378 11.1378 11.2192 11.2192 11.3746 11.3746 12.4307 12.4307 12.4661 12.4661 12.5915 12.5915 13.1181 13.1181 13.5188 13.5188 13.5713 13.5713 13.8270 13.8270 13.9685 13.9685 13.9949 13.9949 k = 0.5312-0.2345 0.4082 ( 1614 PWs) bands (ev): 4.8779 4.8779 7.1974 7.1974 9.4148 9.4148 9.5593 9.5593 10.5882 10.5882 10.7376 10.7376 11.1499 11.1499 11.2107 11.2107 11.3566 11.3566 12.4427 12.4427 12.4783 12.4783 12.5671 12.5671 13.1405 13.1405 13.5219 13.5219 13.5677 13.5677 13.8102 13.8102 13.9670 13.9670 13.9861 13.9861 k = 0.5250-0.2454 0.4082 ( 1606 PWs) bands (ev): 4.8751 4.8751 7.1862 7.1862 9.4611 9.4611 9.5538 9.5538 10.6100 10.6100 10.7088 10.7088 11.1616 11.1616 11.2037 11.2037 11.3399 11.3399 12.4510 12.4510 12.4862 12.4862 12.5507 12.5507 13.1594 13.1594 13.5240 13.5240 13.5654 13.5654 13.7966 13.7966 13.9658 13.9658 13.9786 13.9786 k = 0.5188-0.2562 0.4082 ( 1606 PWs) bands (ev): 4.8729 4.8729 7.1775 7.1775 9.4955 9.4955 9.5529 9.5529 10.6274 10.6274 10.6848 10.6848 11.1725 11.1725 11.1982 11.1982 11.3252 11.3252 12.4547 12.4547 12.4897 12.4897 12.5434 12.5434 13.1744 13.1744 13.5249 13.5249 13.5640 13.5640 13.7857 13.7857 13.9648 13.9648 13.9724 13.9724 k = 0.5125-0.2670 0.4082 ( 1596 PWs) bands (ev): 4.8713 4.8713 7.1712 7.1712 9.5144 9.5144 9.5594 9.5594 10.6399 10.6399 10.6669 10.6669 11.1818 11.1818 11.1946 11.1946 11.3131 11.3131 12.4541 12.4541 12.4912 12.4912 12.5424 12.5424 13.1854 13.1854 13.5254 13.5254 13.5632 13.5632 13.7782 13.7782 13.9641 13.9641 13.9679 13.9679 k = 0.5062-0.2778 0.4082 ( 1600 PWs) bands (ev): 4.8703 4.8703 7.1675 7.1675 9.5202 9.5202 9.5692 9.5692 10.6462 10.6462 10.6568 10.6568 11.1877 11.1877 11.1929 11.1929 11.3049 11.3049 12.4518 12.4518 12.4923 12.4923 12.5433 12.5433 13.1921 13.1921 13.5254 13.5254 13.5629 13.5629 13.7735 13.7735 13.9634 13.9634 13.9652 13.9652 k = 0.5000-0.2887 0.4082 ( 1604 PWs) bands (ev): 4.8700 4.8700 7.1662 7.1662 9.5212 9.5212 9.5735 9.5735 10.6466 10.6466 10.6550 10.6550 11.1891 11.1891 11.1930 11.1930 11.3019 11.3019 12.4507 12.4507 12.4926 12.4926 12.5438 12.5438 13.1943 13.1943 13.5254 13.5254 13.5628 13.5628 13.7719 13.7719 13.9630 13.9630 13.9645 13.9645 Writing output data file Fe3Si.save init_run : 0.16s CPU 0.32s WALL ( 1 calls) electrons : 89.56s CPU 91.42s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.01s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 89.56s CPU 91.41s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 372 calls) cegterg : 81.60s CPU 83.08s WALL ( 592 calls) Called by sum_band: Called by *egterg: h_psi : 38.12s CPU 39.07s WALL ( 9562 calls) s_psi : 3.72s CPU 3.73s WALL ( 9562 calls) g_psi : 0.10s CPU 0.09s WALL ( 8598 calls) cdiaghg : 39.22s CPU 39.77s WALL ( 8970 calls) cegterg:over : 2.24s CPU 2.39s WALL ( 8598 calls) cegterg:upda : 1.63s CPU 1.66s WALL ( 8598 calls) cegterg:last : 0.94s CPU 1.01s WALL ( 1615 calls) cdiaghg:chol : 1.84s CPU 2.03s WALL ( 8970 calls) cdiaghg:inve : 1.17s CPU 1.10s WALL ( 8970 calls) cdiaghg:para : 2.06s CPU 2.31s WALL ( 17940 calls) Called by h_psi: h_psi:vloc : 30.64s CPU 31.39s WALL ( 9562 calls) h_psi:vnl : 7.40s CPU 7.62s WALL ( 9562 calls) add_vuspsi : 4.25s CPU 4.32s WALL ( 9562 calls) General routines calbec : 3.12s CPU 3.28s WALL ( 9562 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 28.62s CPU 29.32s WALL ( 716296 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.10s WALL ( 744 calls) Parallel routines fft_scatter : 14.16s CPU 14.88s WALL ( 716319 calls) PWSCF : 1m39.04s CPU 1m50.90s WALL This run was terminated on: 18:15:57 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=