Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:24:56 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: ./ScInAu2.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 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 65 31 8 2077 682 103 Max 66 32 9 2079 705 109 Sum 2347 1135 313 74825 24933 3839 bravais-lattice index = 14 lattice parameter (alat) = 8.9421 a.u. unit-cell volume = 505.5968 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 46.00 number of Kohn-Sham states= 56 kinetic-energy cutoff = 51.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.942105 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 In read from file: /users/gautes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 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 Sc read from file: /users/gautes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1173 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 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 In 13.00 114.81800 In( 1.00) Sc 11.00 44.95590 Sc( 1.00) Au 11.00 196.96660 Au( 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= 315 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 2) = ( 0.0106383 -0.0061420 0.0086861), wk = 0.0031746 k( 3) = ( 0.0212766 -0.0122841 0.0173723), wk = 0.0031746 k( 4) = ( 0.0319149 -0.0184261 0.0260584), wk = 0.0031746 k( 5) = ( 0.0425532 -0.0245681 0.0347445), wk = 0.0031746 k( 6) = ( 0.0531915 -0.0307101 0.0434307), wk = 0.0031746 k( 7) = ( 0.0638298 -0.0368521 0.0521168), wk = 0.0031746 k( 8) = ( 0.0744681 -0.0429942 0.0608029), wk = 0.0031746 k( 9) = ( 0.0851064 -0.0491362 0.0694891), wk = 0.0031746 k( 10) = ( 0.0957447 -0.0552782 0.0781752), wk = 0.0031746 k( 11) = ( 0.1063830 -0.0614202 0.0868613), wk = 0.0031746 k( 12) = ( 0.1170213 -0.0675623 0.0955475), wk = 0.0031746 k( 13) = ( 0.1276596 -0.0737043 0.1042336), wk = 0.0031746 k( 14) = ( 0.1382979 -0.0798463 0.1129197), wk = 0.0031746 k( 15) = ( 0.1489362 -0.0859883 0.1216059), wk = 0.0031746 k( 16) = ( 0.1595745 -0.0921304 0.1302920), wk = 0.0031746 k( 17) = ( 0.1702128 -0.0982724 0.1389781), wk = 0.0031746 k( 18) = ( 0.1808511 -0.1044144 0.1476643), wk = 0.0031746 k( 19) = ( 0.1914894 -0.1105564 0.1563504), wk = 0.0031746 k( 20) = ( 0.2021277 -0.1166985 0.1650365), wk = 0.0031746 k( 21) = ( 0.2127660 -0.1228405 0.1737227), wk = 0.0031746 k( 22) = ( 0.2234043 -0.1289825 0.1824088), wk = 0.0031746 k( 23) = ( 0.2340425 -0.1351245 0.1910949), wk = 0.0031746 k( 24) = ( 0.2446809 -0.1412666 0.1997811), wk = 0.0031746 k( 25) = ( 0.2553191 -0.1474086 0.2084672), wk = 0.0031746 k( 26) = ( 0.2659574 -0.1535506 0.2171533), wk = 0.0031746 k( 27) = ( 0.2765957 -0.1596926 0.2258395), wk = 0.0031746 k( 28) = ( 0.2872340 -0.1658347 0.2345256), wk = 0.0031746 k( 29) = ( 0.2978723 -0.1719767 0.2432117), wk = 0.0031746 k( 30) = ( 0.3085106 -0.1781187 0.2518979), wk = 0.0031746 k( 31) = ( 0.3191489 -0.1842607 0.2605840), wk = 0.0031746 k( 32) = ( 0.3297872 -0.1904027 0.2692701), wk = 0.0031746 k( 33) = ( 0.3404255 -0.1965448 0.2779563), wk = 0.0031746 k( 34) = ( 0.3510638 -0.2026868 0.2866424), wk = 0.0031746 k( 35) = ( 0.3617021 -0.2088288 0.2953286), wk = 0.0031746 k( 36) = ( 0.3723404 -0.2149708 0.3040147), wk = 0.0031746 k( 37) = ( 0.3829787 -0.2211129 0.3127008), wk = 0.0031746 k( 38) = ( 0.3936170 -0.2272549 0.3213870), wk = 0.0031746 k( 39) = ( 0.4042553 -0.2333969 0.3300731), wk = 0.0031746 k( 40) = ( 0.4148936 -0.2395389 0.3387592), wk = 0.0031746 k( 41) = ( 0.4255319 -0.2456810 0.3474453), wk = 0.0031746 k( 42) = ( 0.4361702 -0.2518230 0.3561315), wk = 0.0031746 k( 43) = ( 0.4468085 -0.2579650 0.3648176), wk = 0.0031746 k( 44) = ( 0.4574468 -0.2641070 0.3735038), wk = 0.0031746 k( 45) = ( 0.4680851 -0.2702491 0.3821899), wk = 0.0031746 k( 46) = ( 0.4787234 -0.2763911 0.3908760), wk = 0.0031746 k( 47) = ( 0.4893617 -0.2825331 0.3995622), wk = 0.0031746 k( 48) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031746 k( 49) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031746 k( 50) = ( 0.5000000 -0.2766470 0.4167535), wk = 0.0031746 k( 51) = ( 0.5000000 -0.2646189 0.4252586), wk = 0.0031746 k( 52) = ( 0.5000000 -0.2525907 0.4337638), wk = 0.0031746 k( 53) = ( 0.5000000 -0.2405626 0.4422690), wk = 0.0031746 k( 54) = ( 0.5000000 -0.2285345 0.4507742), wk = 0.0031746 k( 55) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0031746 k( 56) = ( 0.5000000 -0.2044782 0.4677845), wk = 0.0031746 k( 57) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0031746 k( 58) = ( 0.5000000 -0.1804220 0.4847948), wk = 0.0031746 k( 59) = ( 0.5000000 -0.1683938 0.4933000), wk = 0.0031746 k( 60) = ( 0.5000000 -0.1563657 0.5018052), wk = 0.0031746 k( 61) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0031746 k( 62) = ( 0.5000000 -0.1323094 0.5188155), wk = 0.0031746 k( 63) = ( 0.5000000 -0.1202813 0.5273207), wk = 0.0031746 k( 64) = ( 0.5000000 -0.1082532 0.5358259), wk = 0.0031746 k( 65) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0031746 k( 66) = ( 0.5000000 -0.0841969 0.5528362), wk = 0.0031746 k( 67) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0031746 k( 68) = ( 0.5000000 -0.0601406 0.5698466), wk = 0.0031746 k( 69) = ( 0.5000000 -0.0481125 0.5783517), wk = 0.0031746 k( 70) = ( 0.5000000 -0.0360844 0.5868569), wk = 0.0031746 k( 71) = ( 0.5000000 -0.0240563 0.5953621), wk = 0.0031746 k( 72) = ( 0.5000000 -0.0120281 0.6038673), wk = 0.0031746 k( 73) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0031746 k( 74) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0031746 k( 75) = ( 0.4926471 0.0127357 0.6123724), wk = 0.0031746 k( 76) = ( 0.4852941 0.0254713 0.6123724), wk = 0.0031746 k( 77) = ( 0.4779412 0.0382070 0.6123724), wk = 0.0031746 k( 78) = ( 0.4705882 0.0509427 0.6123724), wk = 0.0031746 k( 79) = ( 0.4632353 0.0636783 0.6123724), wk = 0.0031746 k( 80) = ( 0.4558823 0.0764140 0.6123724), wk = 0.0031746 k( 81) = ( 0.4485294 0.0891497 0.6123724), wk = 0.0031746 k( 82) = ( 0.4411765 0.1018853 0.6123724), wk = 0.0031746 k( 83) = ( 0.4338235 0.1146210 0.6123724), wk = 0.0031746 k( 84) = ( 0.4264706 0.1273567 0.6123724), wk = 0.0031746 k( 85) = ( 0.4191177 0.1400923 0.6123724), wk = 0.0031746 k( 86) = ( 0.4117647 0.1528280 0.6123724), wk = 0.0031746 k( 87) = ( 0.4044118 0.1655637 0.6123724), wk = 0.0031746 k( 88) = ( 0.3970588 0.1782994 0.6123724), wk = 0.0031746 k( 89) = ( 0.3897059 0.1910350 0.6123724), wk = 0.0031746 k( 90) = ( 0.3823529 0.2037707 0.6123724), wk = 0.0031746 k( 91) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031746 k( 92) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031746 k( 93) = ( 0.3675000 0.2121762 0.6001250), wk = 0.0031746 k( 94) = ( 0.3600000 0.2078461 0.5878775), wk = 0.0031746 k( 95) = ( 0.3525000 0.2035160 0.5756301), wk = 0.0031746 k( 96) = ( 0.3450000 0.1991858 0.5633826), wk = 0.0031746 k( 97) = ( 0.3375000 0.1948557 0.5511352), wk = 0.0031746 k( 98) = ( 0.3300000 0.1905256 0.5388877), wk = 0.0031746 k( 99) = ( 0.3225000 0.1861955 0.5266403), wk = 0.0031746 k( 100) = ( 0.3150000 0.1818653 0.5143928), wk = 0.0031746 k( 101) = ( 0.3075000 0.1775352 0.5021454), wk = 0.0031746 k( 102) = ( 0.3000000 0.1732051 0.4898979), wk = 0.0031746 k( 103) = ( 0.2925000 0.1688750 0.4776505), wk = 0.0031746 k( 104) = ( 0.2850000 0.1645448 0.4654031), wk = 0.0031746 k( 105) = ( 0.2775000 0.1602147 0.4531556), wk = 0.0031746 k( 106) = ( 0.2700000 0.1558846 0.4409082), wk = 0.0031746 k( 107) = ( 0.2625000 0.1515544 0.4286607), wk = 0.0031746 k( 108) = ( 0.2550000 0.1472243 0.4164133), wk = 0.0031746 k( 109) = ( 0.2475000 0.1428942 0.4041658), wk = 0.0031746 k( 110) = ( 0.2400000 0.1385641 0.3919184), wk = 0.0031746 k( 111) = ( 0.2325000 0.1342339 0.3796709), wk = 0.0031746 k( 112) = ( 0.2250000 0.1299038 0.3674235), wk = 0.0031746 k( 113) = ( 0.2175000 0.1255737 0.3551760), wk = 0.0031746 k( 114) = ( 0.2100000 0.1212436 0.3429286), wk = 0.0031746 k( 115) = ( 0.2025000 0.1169134 0.3306811), wk = 0.0031746 k( 116) = ( 0.1950000 0.1125833 0.3184337), wk = 0.0031746 k( 117) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0031746 k( 118) = ( 0.1800000 0.1039230 0.2939388), wk = 0.0031746 k( 119) = ( 0.1725000 0.0995929 0.2816913), wk = 0.0031746 k( 120) = ( 0.1650000 0.0952628 0.2694439), wk = 0.0031746 k( 121) = ( 0.1575000 0.0909327 0.2571964), wk = 0.0031746 k( 122) = ( 0.1500000 0.0866025 0.2449490), wk = 0.0031746 k( 123) = ( 0.1425000 0.0822724 0.2327015), wk = 0.0031746 k( 124) = ( 0.1350000 0.0779423 0.2204541), wk = 0.0031746 k( 125) = ( 0.1275000 0.0736122 0.2082066), wk = 0.0031746 k( 126) = ( 0.1200000 0.0692820 0.1959592), wk = 0.0031746 k( 127) = ( 0.1125000 0.0649519 0.1837117), wk = 0.0031746 k( 128) = ( 0.1050000 0.0606218 0.1714643), wk = 0.0031746 k( 129) = ( 0.0975000 0.0562917 0.1592168), wk = 0.0031746 k( 130) = ( 0.0900000 0.0519615 0.1469694), wk = 0.0031746 k( 131) = ( 0.0825000 0.0476314 0.1347219), wk = 0.0031746 k( 132) = ( 0.0750000 0.0433013 0.1224745), wk = 0.0031746 k( 133) = ( 0.0675000 0.0389711 0.1102270), wk = 0.0031746 k( 134) = ( 0.0600000 0.0346410 0.0979796), wk = 0.0031746 k( 135) = ( 0.0525000 0.0303109 0.0857321), wk = 0.0031746 k( 136) = ( 0.0450000 0.0259808 0.0734847), wk = 0.0031746 k( 137) = ( 0.0375000 0.0216506 0.0612372), wk = 0.0031746 k( 138) = ( 0.0300000 0.0173205 0.0489898), wk = 0.0031746 k( 139) = ( 0.0225000 0.0129904 0.0367423), wk = 0.0031746 k( 140) = ( 0.0150000 0.0086603 0.0244949), wk = 0.0031746 k( 141) = ( 0.0075000 0.0043301 0.0122474), wk = 0.0031746 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 144) = ( 0.0121951 0.0070409 0.0049786), wk = 0.0031746 k( 145) = ( 0.0243902 0.0140817 0.0099573), wk = 0.0031746 k( 146) = ( 0.0365854 0.0211226 0.0149359), wk = 0.0031746 k( 147) = ( 0.0487805 0.0281634 0.0199146), wk = 0.0031746 k( 148) = ( 0.0609756 0.0352043 0.0248932), wk = 0.0031746 k( 149) = ( 0.0731707 0.0422451 0.0298718), wk = 0.0031746 k( 150) = ( 0.0853658 0.0492860 0.0348505), wk = 0.0031746 k( 151) = ( 0.0975610 0.0563269 0.0398291), wk = 0.0031746 k( 152) = ( 0.1097561 0.0633677 0.0448077), wk = 0.0031746 k( 153) = ( 0.1219512 0.0704086 0.0497864), wk = 0.0031746 k( 154) = ( 0.1341463 0.0774494 0.0547650), wk = 0.0031746 k( 155) = ( 0.1463415 0.0844903 0.0597437), wk = 0.0031746 k( 156) = ( 0.1585366 0.0915311 0.0647223), wk = 0.0031746 k( 157) = ( 0.1707317 0.0985720 0.0697009), wk = 0.0031746 k( 158) = ( 0.1829268 0.1056129 0.0746796), wk = 0.0031746 k( 159) = ( 0.1951219 0.1126537 0.0796582), wk = 0.0031746 k( 160) = ( 0.2073171 0.1196946 0.0846368), wk = 0.0031746 k( 161) = ( 0.2195122 0.1267354 0.0896155), wk = 0.0031746 k( 162) = ( 0.2317073 0.1337763 0.0945941), wk = 0.0031746 k( 163) = ( 0.2439024 0.1408171 0.0995728), wk = 0.0031746 k( 164) = ( 0.2560976 0.1478580 0.1045514), wk = 0.0031746 k( 165) = ( 0.2682927 0.1548989 0.1095300), wk = 0.0031746 k( 166) = ( 0.2804878 0.1619397 0.1145087), wk = 0.0031746 k( 167) = ( 0.2926829 0.1689806 0.1194873), wk = 0.0031746 k( 168) = ( 0.3048781 0.1760214 0.1244659), wk = 0.0031746 k( 169) = ( 0.3170732 0.1830623 0.1294446), wk = 0.0031746 k( 170) = ( 0.3292683 0.1901031 0.1344232), wk = 0.0031746 k( 171) = ( 0.3414634 0.1971440 0.1394019), wk = 0.0031746 k( 172) = ( 0.3536585 0.2041849 0.1443805), wk = 0.0031746 k( 173) = ( 0.3658537 0.2112257 0.1493591), wk = 0.0031746 k( 174) = ( 0.3780488 0.2182666 0.1543378), wk = 0.0031746 k( 175) = ( 0.3902439 0.2253074 0.1593164), wk = 0.0031746 k( 176) = ( 0.4024390 0.2323483 0.1642950), wk = 0.0031746 k( 177) = ( 0.4146341 0.2393891 0.1692737), wk = 0.0031746 k( 178) = ( 0.4268293 0.2464300 0.1742523), wk = 0.0031746 k( 179) = ( 0.4390244 0.2534708 0.1792310), wk = 0.0031746 k( 180) = ( 0.4512195 0.2605117 0.1842096), wk = 0.0031746 k( 181) = ( 0.4634146 0.2675526 0.1891882), wk = 0.0031746 k( 182) = ( 0.4756098 0.2745934 0.1941669), wk = 0.0031746 k( 183) = ( 0.4878049 0.2816343 0.1991455), wk = 0.0031746 k( 184) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031746 k( 185) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031746 k( 186) = ( 0.5043103 0.2762322 0.2111629), wk = 0.0031746 k( 187) = ( 0.5086207 0.2637893 0.2182017), wk = 0.0031746 k( 188) = ( 0.5129310 0.2513465 0.2252404), wk = 0.0031746 k( 189) = ( 0.5172414 0.2389036 0.2322792), wk = 0.0031746 k( 190) = ( 0.5215517 0.2264607 0.2393180), wk = 0.0031746 k( 191) = ( 0.5258621 0.2140178 0.2463567), wk = 0.0031746 k( 192) = ( 0.5301724 0.2015749 0.2533955), wk = 0.0031746 k( 193) = ( 0.5344828 0.1891320 0.2604343), wk = 0.0031746 k( 194) = ( 0.5387931 0.1766891 0.2674730), wk = 0.0031746 k( 195) = ( 0.5431035 0.1642462 0.2745118), wk = 0.0031746 k( 196) = ( 0.5474138 0.1518033 0.2815505), wk = 0.0031746 k( 197) = ( 0.5517241 0.1393604 0.2885893), wk = 0.0031746 k( 198) = ( 0.5560345 0.1269175 0.2956281), wk = 0.0031746 k( 199) = ( 0.5603448 0.1144746 0.3026668), wk = 0.0031746 k( 200) = ( 0.5646552 0.1020317 0.3097056), wk = 0.0031746 k( 201) = ( 0.5689655 0.0895888 0.3167444), wk = 0.0031746 k( 202) = ( 0.5732759 0.0771459 0.3237831), wk = 0.0031746 k( 203) = ( 0.5775862 0.0647030 0.3308219), wk = 0.0031746 k( 204) = ( 0.5818965 0.0522602 0.3378607), wk = 0.0031746 k( 205) = ( 0.5862069 0.0398173 0.3448994), wk = 0.0031746 k( 206) = ( 0.5905172 0.0273744 0.3519382), wk = 0.0031746 k( 207) = ( 0.5948276 0.0149315 0.3589769), wk = 0.0031746 k( 208) = ( 0.5991379 0.0024886 0.3660157), wk = 0.0031746 k( 209) = ( 0.6034483 -0.0099543 0.3730545), wk = 0.0031746 k( 210) = ( 0.6077586 -0.0223972 0.3800932), wk = 0.0031746 k( 211) = ( 0.6120690 -0.0348401 0.3871320), wk = 0.0031746 k( 212) = ( 0.6163793 -0.0472830 0.3941708), wk = 0.0031746 k( 213) = ( 0.6206897 -0.0597259 0.4012095), wk = 0.0031746 k( 214) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031746 k( 215) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031746 k( 216) = ( 0.6176471 -0.0679236 0.4202556), wk = 0.0031746 k( 217) = ( 0.6102941 -0.0636783 0.4322629), wk = 0.0031746 k( 218) = ( 0.6029412 -0.0594331 0.4442702), wk = 0.0031746 k( 219) = ( 0.5955882 -0.0551879 0.4562775), wk = 0.0031746 k( 220) = ( 0.5882353 -0.0509427 0.4682848), wk = 0.0031746 k( 221) = ( 0.5808823 -0.0466974 0.4802921), wk = 0.0031746 k( 222) = ( 0.5735294 -0.0424522 0.4922994), wk = 0.0031746 k( 223) = ( 0.5661765 -0.0382070 0.5043067), wk = 0.0031746 k( 224) = ( 0.5588235 -0.0339618 0.5163140), wk = 0.0031746 k( 225) = ( 0.5514706 -0.0297166 0.5283213), wk = 0.0031746 k( 226) = ( 0.5441177 -0.0254713 0.5403286), wk = 0.0031746 k( 227) = ( 0.5367647 -0.0212261 0.5523359), wk = 0.0031746 k( 228) = ( 0.5294118 -0.0169809 0.5643432), wk = 0.0031746 k( 229) = ( 0.5220588 -0.0127357 0.5763505), wk = 0.0031746 k( 230) = ( 0.5147059 -0.0084904 0.5883578), wk = 0.0031746 k( 231) = ( 0.5073529 -0.0042452 0.6003651), wk = 0.0031746 k( 232) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0031746 k( 233) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0031746 k( 234) = ( 0.5000000 0.0084904 0.6003651), wk = 0.0031746 k( 235) = ( 0.5000000 0.0169809 0.5883578), wk = 0.0031746 k( 236) = ( 0.5000000 0.0254713 0.5763505), wk = 0.0031746 k( 237) = ( 0.5000000 0.0339618 0.5643432), wk = 0.0031746 k( 238) = ( 0.5000000 0.0424522 0.5523359), wk = 0.0031746 k( 239) = ( 0.5000000 0.0509427 0.5403286), wk = 0.0031746 k( 240) = ( 0.5000000 0.0594331 0.5283213), wk = 0.0031746 k( 241) = ( 0.5000000 0.0679236 0.5163140), wk = 0.0031746 k( 242) = ( 0.5000000 0.0764140 0.5043067), wk = 0.0031746 k( 243) = ( 0.5000000 0.0849044 0.4922994), wk = 0.0031746 k( 244) = ( 0.5000000 0.0933949 0.4802921), wk = 0.0031746 k( 245) = ( 0.5000000 0.1018853 0.4682848), wk = 0.0031746 k( 246) = ( 0.5000000 0.1103758 0.4562775), wk = 0.0031746 k( 247) = ( 0.5000000 0.1188662 0.4442702), wk = 0.0031746 k( 248) = ( 0.5000000 0.1273567 0.4322629), wk = 0.0031746 k( 249) = ( 0.5000000 0.1358471 0.4202556), wk = 0.0031746 k( 250) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0031746 k( 251) = ( 0.5000000 0.1528280 0.3962410), wk = 0.0031746 k( 252) = ( 0.5000000 0.1613185 0.3842337), wk = 0.0031746 k( 253) = ( 0.5000000 0.1698089 0.3722264), wk = 0.0031746 k( 254) = ( 0.5000000 0.1782993 0.3602191), wk = 0.0031746 k( 255) = ( 0.5000000 0.1867898 0.3482118), wk = 0.0031746 k( 256) = ( 0.5000000 0.1952802 0.3362045), wk = 0.0031746 k( 257) = ( 0.5000000 0.2037707 0.3241972), wk = 0.0031746 k( 258) = ( 0.5000000 0.2122611 0.3121899), wk = 0.0031746 k( 259) = ( 0.5000000 0.2207516 0.3001826), wk = 0.0031746 k( 260) = ( 0.5000000 0.2292420 0.2881753), wk = 0.0031746 k( 261) = ( 0.5000000 0.2377325 0.2761680), wk = 0.0031746 k( 262) = ( 0.5000000 0.2462229 0.2641607), wk = 0.0031746 k( 263) = ( 0.5000000 0.2547134 0.2521533), wk = 0.0031746 k( 264) = ( 0.5000000 0.2632038 0.2401460), wk = 0.0031746 k( 265) = ( 0.5000000 0.2716942 0.2281387), wk = 0.0031746 k( 266) = ( 0.5000000 0.2801847 0.2161314), wk = 0.0031746 k( 267) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031746 k( 268) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031746 k( 269) = ( 0.4956897 0.2861866 0.2182017), wk = 0.0031746 k( 270) = ( 0.4913793 0.2836980 0.2322792), wk = 0.0031746 k( 271) = ( 0.4870690 0.2812094 0.2463567), wk = 0.0031746 k( 272) = ( 0.4827586 0.2787208 0.2604343), wk = 0.0031746 k( 273) = ( 0.4784483 0.2762322 0.2745118), wk = 0.0031746 k( 274) = ( 0.4741379 0.2737437 0.2885893), wk = 0.0031746 k( 275) = ( 0.4698276 0.2712551 0.3026668), wk = 0.0031746 k( 276) = ( 0.4655172 0.2687665 0.3167444), wk = 0.0031746 k( 277) = ( 0.4612069 0.2662779 0.3308219), wk = 0.0031746 k( 278) = ( 0.4568966 0.2637893 0.3448994), wk = 0.0031746 k( 279) = ( 0.4525862 0.2613008 0.3589769), wk = 0.0031746 k( 280) = ( 0.4482759 0.2588122 0.3730545), wk = 0.0031746 k( 281) = ( 0.4439655 0.2563236 0.3871320), wk = 0.0031746 k( 282) = ( 0.4396552 0.2538350 0.4012095), wk = 0.0031746 k( 283) = ( 0.4353448 0.2513465 0.4152870), wk = 0.0031746 k( 284) = ( 0.4310345 0.2488579 0.4293646), wk = 0.0031746 k( 285) = ( 0.4267241 0.2463693 0.4434421), wk = 0.0031746 k( 286) = ( 0.4224138 0.2438807 0.4575196), wk = 0.0031746 k( 287) = ( 0.4181034 0.2413921 0.4715972), wk = 0.0031746 k( 288) = ( 0.4137931 0.2389036 0.4856747), wk = 0.0031746 k( 289) = ( 0.4094828 0.2364150 0.4997522), wk = 0.0031746 k( 290) = ( 0.4051724 0.2339264 0.5138297), wk = 0.0031746 k( 291) = ( 0.4008621 0.2314378 0.5279073), wk = 0.0031746 k( 292) = ( 0.3965517 0.2289492 0.5419848), wk = 0.0031746 k( 293) = ( 0.3922414 0.2264607 0.5560623), wk = 0.0031746 k( 294) = ( 0.3879310 0.2239721 0.5701399), wk = 0.0031746 k( 295) = ( 0.3836207 0.2214835 0.5842174), wk = 0.0031746 k( 296) = ( 0.3793103 0.2189949 0.5982949), wk = 0.0031746 k( 297) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031746 k( 298) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031746 k( 299) = ( 0.6176471 -0.0849044 0.4082483), wk = 0.0031746 k( 300) = ( 0.6102941 -0.0976401 0.4082483), wk = 0.0031746 k( 301) = ( 0.6029412 -0.1103758 0.4082483), wk = 0.0031746 k( 302) = ( 0.5955882 -0.1231115 0.4082483), wk = 0.0031746 k( 303) = ( 0.5882353 -0.1358471 0.4082483), wk = 0.0031746 k( 304) = ( 0.5808823 -0.1485828 0.4082483), wk = 0.0031746 k( 305) = ( 0.5735294 -0.1613185 0.4082483), wk = 0.0031746 k( 306) = ( 0.5661765 -0.1740541 0.4082483), wk = 0.0031746 k( 307) = ( 0.5588235 -0.1867898 0.4082483), wk = 0.0031746 k( 308) = ( 0.5514706 -0.1995255 0.4082483), wk = 0.0031746 k( 309) = ( 0.5441177 -0.2122611 0.4082483), wk = 0.0031746 k( 310) = ( 0.5367647 -0.2249968 0.4082483), wk = 0.0031746 k( 311) = ( 0.5294118 -0.2377325 0.4082483), wk = 0.0031746 k( 312) = ( 0.5220588 -0.2504681 0.4082483), wk = 0.0031746 k( 313) = ( 0.5147059 -0.2632038 0.4082483), wk = 0.0031746 k( 314) = ( 0.5073529 -0.2759395 0.4082483), wk = 0.0031746 k( 315) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031746 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 2) = ( 0.0106383 -0.0000000 0.0106383), wk = 0.0031746 k( 3) = ( 0.0212766 -0.0000000 0.0212766), wk = 0.0031746 k( 4) = ( 0.0319149 0.0000000 0.0319149), wk = 0.0031746 k( 5) = ( 0.0425532 -0.0000000 0.0425532), wk = 0.0031746 k( 6) = ( 0.0531915 0.0000000 0.0531915), wk = 0.0031746 k( 7) = ( 0.0638298 0.0000000 0.0638298), wk = 0.0031746 k( 8) = ( 0.0744681 0.0000000 0.0744681), wk = 0.0031746 k( 9) = ( 0.0851064 -0.0000000 0.0851064), wk = 0.0031746 k( 10) = ( 0.0957447 0.0000000 0.0957447), wk = 0.0031746 k( 11) = ( 0.1063830 0.0000000 0.1063830), wk = 0.0031746 k( 12) = ( 0.1170213 -0.0000000 0.1170213), wk = 0.0031746 k( 13) = ( 0.1276596 -0.0000000 0.1276596), wk = 0.0031746 k( 14) = ( 0.1382979 0.0000000 0.1382979), wk = 0.0031746 k( 15) = ( 0.1489362 0.0000000 0.1489362), wk = 0.0031746 k( 16) = ( 0.1595745 0.0000000 0.1595745), wk = 0.0031746 k( 17) = ( 0.1702128 -0.0000000 0.1702128), wk = 0.0031746 k( 18) = ( 0.1808511 -0.0000000 0.1808511), wk = 0.0031746 k( 19) = ( 0.1914894 0.0000000 0.1914894), wk = 0.0031746 k( 20) = ( 0.2021277 0.0000000 0.2021277), wk = 0.0031746 k( 21) = ( 0.2127660 0.0000000 0.2127660), wk = 0.0031746 k( 22) = ( 0.2234043 -0.0000000 0.2234043), wk = 0.0031746 k( 23) = ( 0.2340425 -0.0000000 0.2340426), wk = 0.0031746 k( 24) = ( 0.2446809 -0.0000000 0.2446809), wk = 0.0031746 k( 25) = ( 0.2553191 0.0000000 0.2553192), wk = 0.0031746 k( 26) = ( 0.2659574 0.0000000 0.2659575), wk = 0.0031746 k( 27) = ( 0.2765957 0.0000000 0.2765957), wk = 0.0031746 k( 28) = ( 0.2872340 0.0000000 0.2872340), wk = 0.0031746 k( 29) = ( 0.2978723 0.0000000 0.2978723), wk = 0.0031746 k( 30) = ( 0.3085106 0.0000000 0.3085106), wk = 0.0031746 k( 31) = ( 0.3191489 0.0000000 0.3191489), wk = 0.0031746 k( 32) = ( 0.3297872 -0.0000000 0.3297872), wk = 0.0031746 k( 33) = ( 0.3404255 -0.0000000 0.3404255), wk = 0.0031746 k( 34) = ( 0.3510638 -0.0000000 0.3510638), wk = 0.0031746 k( 35) = ( 0.3617021 -0.0000000 0.3617021), wk = 0.0031746 k( 36) = ( 0.3723404 -0.0000000 0.3723404), wk = 0.0031746 k( 37) = ( 0.3829787 0.0000000 0.3829787), wk = 0.0031746 k( 38) = ( 0.3936170 0.0000000 0.3936170), wk = 0.0031746 k( 39) = ( 0.4042553 0.0000000 0.4042553), wk = 0.0031746 k( 40) = ( 0.4148936 0.0000000 0.4148936), wk = 0.0031746 k( 41) = ( 0.4255319 -0.0000000 0.4255319), wk = 0.0031746 k( 42) = ( 0.4361702 -0.0000000 0.4361702), wk = 0.0031746 k( 43) = ( 0.4468085 -0.0000000 0.4468085), wk = 0.0031746 k( 44) = ( 0.4574468 -0.0000000 0.4574468), wk = 0.0031746 k( 45) = ( 0.4680851 0.0000000 0.4680851), wk = 0.0031746 k( 46) = ( 0.4787234 -0.0000000 0.4787234), wk = 0.0031746 k( 47) = ( 0.4893617 -0.0000000 0.4893617), wk = 0.0031746 k( 48) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031746 k( 49) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031746 k( 50) = ( 0.5000000 0.0104167 0.5104167), wk = 0.0031746 k( 51) = ( 0.5000000 0.0208333 0.5208333), wk = 0.0031746 k( 52) = ( 0.5000000 0.0312500 0.5312500), wk = 0.0031746 k( 53) = ( 0.5000000 0.0416667 0.5416667), wk = 0.0031746 k( 54) = ( 0.5000000 0.0520833 0.5520833), wk = 0.0031746 k( 55) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0031746 k( 56) = ( 0.5000000 0.0729167 0.5729167), wk = 0.0031746 k( 57) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0031746 k( 58) = ( 0.5000000 0.0937500 0.5937500), wk = 0.0031746 k( 59) = ( 0.5000000 0.1041667 0.6041667), wk = 0.0031746 k( 60) = ( 0.5000000 0.1145833 0.6145833), wk = 0.0031746 k( 61) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0031746 k( 62) = ( 0.5000000 0.1354167 0.6354167), wk = 0.0031746 k( 63) = ( 0.5000000 0.1458333 0.6458333), wk = 0.0031746 k( 64) = ( 0.5000000 0.1562500 0.6562500), wk = 0.0031746 k( 65) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0031746 k( 66) = ( 0.5000000 0.1770833 0.6770833), wk = 0.0031746 k( 67) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0031746 k( 68) = ( 0.5000000 0.1979167 0.6979167), wk = 0.0031746 k( 69) = ( 0.5000000 0.2083333 0.7083333), wk = 0.0031746 k( 70) = ( 0.5000000 0.2187500 0.7187500), wk = 0.0031746 k( 71) = ( 0.5000000 0.2291667 0.7291667), wk = 0.0031746 k( 72) = ( 0.5000000 0.2395833 0.7395833), wk = 0.0031746 k( 73) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031746 k( 74) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031746 k( 75) = ( 0.4926471 0.2573529 0.7500000), wk = 0.0031746 k( 76) = ( 0.4852941 0.2647059 0.7500000), wk = 0.0031746 k( 77) = ( 0.4779412 0.2720588 0.7500000), wk = 0.0031746 k( 78) = ( 0.4705882 0.2794118 0.7500000), wk = 0.0031746 k( 79) = ( 0.4632353 0.2867647 0.7500000), wk = 0.0031746 k( 80) = ( 0.4558823 0.2941177 0.7500000), wk = 0.0031746 k( 81) = ( 0.4485294 0.3014706 0.7500000), wk = 0.0031746 k( 82) = ( 0.4411765 0.3088235 0.7500000), wk = 0.0031746 k( 83) = ( 0.4338235 0.3161765 0.7500000), wk = 0.0031746 k( 84) = ( 0.4264706 0.3235294 0.7500000), wk = 0.0031746 k( 85) = ( 0.4191177 0.3308823 0.7500000), wk = 0.0031746 k( 86) = ( 0.4117647 0.3382353 0.7500000), wk = 0.0031746 k( 87) = ( 0.4044118 0.3455882 0.7500000), wk = 0.0031746 k( 88) = ( 0.3970588 0.3529412 0.7500000), wk = 0.0031746 k( 89) = ( 0.3897059 0.3602941 0.7500000), wk = 0.0031746 k( 90) = ( 0.3823529 0.3676471 0.7500000), wk = 0.0031746 k( 91) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031746 k( 92) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031746 k( 93) = ( 0.3675000 0.3675000 0.7350000), wk = 0.0031746 k( 94) = ( 0.3600000 0.3600000 0.7200000), wk = 0.0031746 k( 95) = ( 0.3525000 0.3525000 0.7050000), wk = 0.0031746 k( 96) = ( 0.3450000 0.3450000 0.6900000), wk = 0.0031746 k( 97) = ( 0.3375000 0.3375000 0.6750000), wk = 0.0031746 k( 98) = ( 0.3300000 0.3300000 0.6600000), wk = 0.0031746 k( 99) = ( 0.3225000 0.3225000 0.6450000), wk = 0.0031746 k( 100) = ( 0.3150000 0.3150000 0.6300000), wk = 0.0031746 k( 101) = ( 0.3075000 0.3075000 0.6150000), wk = 0.0031746 k( 102) = ( 0.3000000 0.3000000 0.6000000), wk = 0.0031746 k( 103) = ( 0.2925000 0.2925000 0.5850000), wk = 0.0031746 k( 104) = ( 0.2850000 0.2850000 0.5700000), wk = 0.0031746 k( 105) = ( 0.2775000 0.2775000 0.5550000), wk = 0.0031746 k( 106) = ( 0.2700000 0.2700000 0.5400000), wk = 0.0031746 k( 107) = ( 0.2625000 0.2625000 0.5250000), wk = 0.0031746 k( 108) = ( 0.2550000 0.2550000 0.5100000), wk = 0.0031746 k( 109) = ( 0.2475000 0.2475000 0.4950000), wk = 0.0031746 k( 110) = ( 0.2400000 0.2400000 0.4800000), wk = 0.0031746 k( 111) = ( 0.2325000 0.2325000 0.4650000), wk = 0.0031746 k( 112) = ( 0.2250000 0.2250000 0.4500000), wk = 0.0031746 k( 113) = ( 0.2175000 0.2175000 0.4350000), wk = 0.0031746 k( 114) = ( 0.2100000 0.2100000 0.4200000), wk = 0.0031746 k( 115) = ( 0.2025000 0.2025000 0.4050000), wk = 0.0031746 k( 116) = ( 0.1950000 0.1950000 0.3900000), wk = 0.0031746 k( 117) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0031746 k( 118) = ( 0.1800000 0.1800000 0.3600000), wk = 0.0031746 k( 119) = ( 0.1725000 0.1725000 0.3450000), wk = 0.0031746 k( 120) = ( 0.1650000 0.1650000 0.3300000), wk = 0.0031746 k( 121) = ( 0.1575000 0.1575000 0.3150000), wk = 0.0031746 k( 122) = ( 0.1500000 0.1500000 0.3000000), wk = 0.0031746 k( 123) = ( 0.1425000 0.1425000 0.2850000), wk = 0.0031746 k( 124) = ( 0.1350000 0.1350000 0.2700000), wk = 0.0031746 k( 125) = ( 0.1275000 0.1275000 0.2550000), wk = 0.0031746 k( 126) = ( 0.1200000 0.1200000 0.2400000), wk = 0.0031746 k( 127) = ( 0.1125000 0.1125000 0.2250000), wk = 0.0031746 k( 128) = ( 0.1050000 0.1050000 0.2100000), wk = 0.0031746 k( 129) = ( 0.0975000 0.0975000 0.1950000), wk = 0.0031746 k( 130) = ( 0.0900000 0.0900000 0.1800000), wk = 0.0031746 k( 131) = ( 0.0825000 0.0825000 0.1650000), wk = 0.0031746 k( 132) = ( 0.0750000 0.0750000 0.1500000), wk = 0.0031746 k( 133) = ( 0.0675000 0.0675000 0.1350000), wk = 0.0031746 k( 134) = ( 0.0600000 0.0600000 0.1200000), wk = 0.0031746 k( 135) = ( 0.0525000 0.0525000 0.1050000), wk = 0.0031746 k( 136) = ( 0.0450000 0.0450000 0.0900000), wk = 0.0031746 k( 137) = ( 0.0375000 0.0375000 0.0750000), wk = 0.0031746 k( 138) = ( 0.0300000 0.0300000 0.0600000), wk = 0.0031746 k( 139) = ( 0.0225000 0.0225000 0.0450000), wk = 0.0031746 k( 140) = ( 0.0150000 0.0150000 0.0300000), wk = 0.0031746 k( 141) = ( 0.0075000 0.0075000 0.0150000), wk = 0.0031746 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 144) = ( 0.0121951 0.0121951 0.0121951), wk = 0.0031746 k( 145) = ( 0.0243902 0.0243902 0.0243902), wk = 0.0031746 k( 146) = ( 0.0365854 0.0365854 0.0365854), wk = 0.0031746 k( 147) = ( 0.0487805 0.0487805 0.0487805), wk = 0.0031746 k( 148) = ( 0.0609756 0.0609756 0.0609756), wk = 0.0031746 k( 149) = ( 0.0731707 0.0731707 0.0731707), wk = 0.0031746 k( 150) = ( 0.0853658 0.0853658 0.0853659), wk = 0.0031746 k( 151) = ( 0.0975610 0.0975610 0.0975610), wk = 0.0031746 k( 152) = ( 0.1097561 0.1097561 0.1097561), wk = 0.0031746 k( 153) = ( 0.1219512 0.1219512 0.1219512), wk = 0.0031746 k( 154) = ( 0.1341463 0.1341463 0.1341463), wk = 0.0031746 k( 155) = ( 0.1463415 0.1463415 0.1463415), wk = 0.0031746 k( 156) = ( 0.1585366 0.1585366 0.1585366), wk = 0.0031746 k( 157) = ( 0.1707317 0.1707317 0.1707317), wk = 0.0031746 k( 158) = ( 0.1829268 0.1829268 0.1829268), wk = 0.0031746 k( 159) = ( 0.1951219 0.1951220 0.1951220), wk = 0.0031746 k( 160) = ( 0.2073171 0.2073171 0.2073171), wk = 0.0031746 k( 161) = ( 0.2195122 0.2195122 0.2195122), wk = 0.0031746 k( 162) = ( 0.2317073 0.2317073 0.2317073), wk = 0.0031746 k( 163) = ( 0.2439024 0.2439024 0.2439024), wk = 0.0031746 k( 164) = ( 0.2560976 0.2560976 0.2560976), wk = 0.0031746 k( 165) = ( 0.2682927 0.2682927 0.2682927), wk = 0.0031746 k( 166) = ( 0.2804878 0.2804878 0.2804878), wk = 0.0031746 k( 167) = ( 0.2926829 0.2926829 0.2926829), wk = 0.0031746 k( 168) = ( 0.3048781 0.3048781 0.3048781), wk = 0.0031746 k( 169) = ( 0.3170732 0.3170732 0.3170732), wk = 0.0031746 k( 170) = ( 0.3292683 0.3292683 0.3292683), wk = 0.0031746 k( 171) = ( 0.3414634 0.3414634 0.3414634), wk = 0.0031746 k( 172) = ( 0.3536585 0.3536585 0.3536585), wk = 0.0031746 k( 173) = ( 0.3658537 0.3658537 0.3658537), wk = 0.0031746 k( 174) = ( 0.3780488 0.3780488 0.3780488), wk = 0.0031746 k( 175) = ( 0.3902439 0.3902439 0.3902439), wk = 0.0031746 k( 176) = ( 0.4024390 0.4024390 0.4024390), wk = 0.0031746 k( 177) = ( 0.4146341 0.4146341 0.4146342), wk = 0.0031746 k( 178) = ( 0.4268293 0.4268293 0.4268293), wk = 0.0031746 k( 179) = ( 0.4390244 0.4390244 0.4390244), wk = 0.0031746 k( 180) = ( 0.4512195 0.4512195 0.4512195), wk = 0.0031746 k( 181) = ( 0.4634146 0.4634146 0.4634146), wk = 0.0031746 k( 182) = ( 0.4756098 0.4756098 0.4756098), wk = 0.0031746 k( 183) = ( 0.4878049 0.4878049 0.4878049), wk = 0.0031746 k( 184) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031746 k( 185) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031746 k( 186) = ( 0.5043103 0.4913793 0.5043103), wk = 0.0031746 k( 187) = ( 0.5086207 0.4827586 0.5086207), wk = 0.0031746 k( 188) = ( 0.5129310 0.4741379 0.5129310), wk = 0.0031746 k( 189) = ( 0.5172414 0.4655172 0.5172414), wk = 0.0031746 k( 190) = ( 0.5215517 0.4568966 0.5215517), wk = 0.0031746 k( 191) = ( 0.5258621 0.4482759 0.5258621), wk = 0.0031746 k( 192) = ( 0.5301724 0.4396552 0.5301724), wk = 0.0031746 k( 193) = ( 0.5344828 0.4310345 0.5344828), wk = 0.0031746 k( 194) = ( 0.5387931 0.4224138 0.5387931), wk = 0.0031746 k( 195) = ( 0.5431035 0.4137931 0.5431035), wk = 0.0031746 k( 196) = ( 0.5474138 0.4051724 0.5474138), wk = 0.0031746 k( 197) = ( 0.5517241 0.3965517 0.5517241), wk = 0.0031746 k( 198) = ( 0.5560345 0.3879310 0.5560345), wk = 0.0031746 k( 199) = ( 0.5603448 0.3793103 0.5603448), wk = 0.0031746 k( 200) = ( 0.5646552 0.3706897 0.5646552), wk = 0.0031746 k( 201) = ( 0.5689655 0.3620690 0.5689655), wk = 0.0031746 k( 202) = ( 0.5732759 0.3534483 0.5732759), wk = 0.0031746 k( 203) = ( 0.5775862 0.3448276 0.5775862), wk = 0.0031746 k( 204) = ( 0.5818965 0.3362069 0.5818966), wk = 0.0031746 k( 205) = ( 0.5862069 0.3275862 0.5862069), wk = 0.0031746 k( 206) = ( 0.5905172 0.3189655 0.5905172), wk = 0.0031746 k( 207) = ( 0.5948276 0.3103448 0.5948276), wk = 0.0031746 k( 208) = ( 0.5991379 0.3017241 0.5991379), wk = 0.0031746 k( 209) = ( 0.6034483 0.2931034 0.6034483), wk = 0.0031746 k( 210) = ( 0.6077586 0.2844828 0.6077586), wk = 0.0031746 k( 211) = ( 0.6120690 0.2758621 0.6120690), wk = 0.0031746 k( 212) = ( 0.6163793 0.2672414 0.6163793), wk = 0.0031746 k( 213) = ( 0.6206897 0.2586207 0.6206897), wk = 0.0031746 k( 214) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031746 k( 215) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031746 k( 216) = ( 0.6176471 0.2500000 0.6323529), wk = 0.0031746 k( 217) = ( 0.6102941 0.2500000 0.6397059), wk = 0.0031746 k( 218) = ( 0.6029412 0.2500000 0.6470588), wk = 0.0031746 k( 219) = ( 0.5955882 0.2500000 0.6544118), wk = 0.0031746 k( 220) = ( 0.5882353 0.2500000 0.6617647), wk = 0.0031746 k( 221) = ( 0.5808823 0.2500000 0.6691177), wk = 0.0031746 k( 222) = ( 0.5735294 0.2500000 0.6764706), wk = 0.0031746 k( 223) = ( 0.5661765 0.2500000 0.6838235), wk = 0.0031746 k( 224) = ( 0.5588235 0.2500000 0.6911765), wk = 0.0031746 k( 225) = ( 0.5514706 0.2500000 0.6985294), wk = 0.0031746 k( 226) = ( 0.5441177 0.2500000 0.7058824), wk = 0.0031746 k( 227) = ( 0.5367647 0.2500000 0.7132353), wk = 0.0031746 k( 228) = ( 0.5294118 0.2500000 0.7205882), wk = 0.0031746 k( 229) = ( 0.5220588 0.2500000 0.7279412), wk = 0.0031746 k( 230) = ( 0.5147059 0.2500000 0.7352941), wk = 0.0031746 k( 231) = ( 0.5073529 0.2500000 0.7426471), wk = 0.0031746 k( 232) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031746 k( 233) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031746 k( 234) = ( 0.5000000 0.2573529 0.7426471), wk = 0.0031746 k( 235) = ( 0.5000000 0.2647059 0.7352941), wk = 0.0031746 k( 236) = ( 0.5000000 0.2720588 0.7279412), wk = 0.0031746 k( 237) = ( 0.5000000 0.2794118 0.7205882), wk = 0.0031746 k( 238) = ( 0.5000000 0.2867647 0.7132353), wk = 0.0031746 k( 239) = ( 0.5000000 0.2941177 0.7058824), wk = 0.0031746 k( 240) = ( 0.5000000 0.3014706 0.6985294), wk = 0.0031746 k( 241) = ( 0.5000000 0.3088235 0.6911765), wk = 0.0031746 k( 242) = ( 0.5000000 0.3161765 0.6838235), wk = 0.0031746 k( 243) = ( 0.5000000 0.3235294 0.6764706), wk = 0.0031746 k( 244) = ( 0.5000000 0.3308823 0.6691177), wk = 0.0031746 k( 245) = ( 0.5000000 0.3382353 0.6617647), wk = 0.0031746 k( 246) = ( 0.5000000 0.3455882 0.6544118), wk = 0.0031746 k( 247) = ( 0.5000000 0.3529412 0.6470588), wk = 0.0031746 k( 248) = ( 0.5000000 0.3602941 0.6397059), wk = 0.0031746 k( 249) = ( 0.5000000 0.3676471 0.6323529), wk = 0.0031746 k( 250) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0031746 k( 251) = ( 0.5000000 0.3823529 0.6176471), wk = 0.0031746 k( 252) = ( 0.5000000 0.3897059 0.6102941), wk = 0.0031746 k( 253) = ( 0.5000000 0.3970588 0.6029412), wk = 0.0031746 k( 254) = ( 0.5000000 0.4044118 0.5955882), wk = 0.0031746 k( 255) = ( 0.5000000 0.4117647 0.5882353), wk = 0.0031746 k( 256) = ( 0.5000000 0.4191177 0.5808824), wk = 0.0031746 k( 257) = ( 0.5000000 0.4264706 0.5735294), wk = 0.0031746 k( 258) = ( 0.5000000 0.4338235 0.5661765), wk = 0.0031746 k( 259) = ( 0.5000000 0.4411765 0.5588235), wk = 0.0031746 k( 260) = ( 0.5000000 0.4485294 0.5514706), wk = 0.0031746 k( 261) = ( 0.5000000 0.4558824 0.5441177), wk = 0.0031746 k( 262) = ( 0.5000000 0.4632353 0.5367647), wk = 0.0031746 k( 263) = ( 0.5000000 0.4705882 0.5294118), wk = 0.0031746 k( 264) = ( 0.5000000 0.4779412 0.5220588), wk = 0.0031746 k( 265) = ( 0.5000000 0.4852941 0.5147059), wk = 0.0031746 k( 266) = ( 0.5000000 0.4926471 0.5073529), wk = 0.0031746 k( 267) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031746 k( 268) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031746 k( 269) = ( 0.4956897 0.4956897 0.5086207), wk = 0.0031746 k( 270) = ( 0.4913793 0.4913793 0.5172414), wk = 0.0031746 k( 271) = ( 0.4870690 0.4870690 0.5258621), wk = 0.0031746 k( 272) = ( 0.4827586 0.4827586 0.5344828), wk = 0.0031746 k( 273) = ( 0.4784483 0.4784483 0.5431035), wk = 0.0031746 k( 274) = ( 0.4741379 0.4741379 0.5517241), wk = 0.0031746 k( 275) = ( 0.4698276 0.4698276 0.5603448), wk = 0.0031746 k( 276) = ( 0.4655172 0.4655172 0.5689655), wk = 0.0031746 k( 277) = ( 0.4612069 0.4612069 0.5775862), wk = 0.0031746 k( 278) = ( 0.4568966 0.4568966 0.5862069), wk = 0.0031746 k( 279) = ( 0.4525862 0.4525862 0.5948276), wk = 0.0031746 k( 280) = ( 0.4482759 0.4482759 0.6034483), wk = 0.0031746 k( 281) = ( 0.4439655 0.4439655 0.6120690), wk = 0.0031746 k( 282) = ( 0.4396552 0.4396552 0.6206897), wk = 0.0031746 k( 283) = ( 0.4353448 0.4353448 0.6293103), wk = 0.0031746 k( 284) = ( 0.4310345 0.4310345 0.6379310), wk = 0.0031746 k( 285) = ( 0.4267241 0.4267241 0.6465517), wk = 0.0031746 k( 286) = ( 0.4224138 0.4224138 0.6551724), wk = 0.0031746 k( 287) = ( 0.4181034 0.4181034 0.6637931), wk = 0.0031746 k( 288) = ( 0.4137931 0.4137931 0.6724138), wk = 0.0031746 k( 289) = ( 0.4094828 0.4094828 0.6810345), wk = 0.0031746 k( 290) = ( 0.4051724 0.4051724 0.6896552), wk = 0.0031746 k( 291) = ( 0.4008621 0.4008621 0.6982759), wk = 0.0031746 k( 292) = ( 0.3965517 0.3965517 0.7068966), wk = 0.0031746 k( 293) = ( 0.3922414 0.3922414 0.7155172), wk = 0.0031746 k( 294) = ( 0.3879310 0.3879310 0.7241379), wk = 0.0031746 k( 295) = ( 0.3836207 0.3836207 0.7327586), wk = 0.0031746 k( 296) = ( 0.3793103 0.3793103 0.7413793), wk = 0.0031746 k( 297) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031746 k( 298) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031746 k( 299) = ( 0.6176471 0.2352941 0.6176471), wk = 0.0031746 k( 300) = ( 0.6102941 0.2205882 0.6102941), wk = 0.0031746 k( 301) = ( 0.6029412 0.2058823 0.6029412), wk = 0.0031746 k( 302) = ( 0.5955882 0.1911765 0.5955882), wk = 0.0031746 k( 303) = ( 0.5882353 0.1764706 0.5882353), wk = 0.0031746 k( 304) = ( 0.5808823 0.1617647 0.5808824), wk = 0.0031746 k( 305) = ( 0.5735294 0.1470588 0.5735294), wk = 0.0031746 k( 306) = ( 0.5661765 0.1323529 0.5661765), wk = 0.0031746 k( 307) = ( 0.5588235 0.1176471 0.5588235), wk = 0.0031746 k( 308) = ( 0.5514706 0.1029412 0.5514706), wk = 0.0031746 k( 309) = ( 0.5441177 0.0882353 0.5441177), wk = 0.0031746 k( 310) = ( 0.5367647 0.0735294 0.5367647), wk = 0.0031746 k( 311) = ( 0.5294118 0.0588235 0.5294118), wk = 0.0031746 k( 312) = ( 0.5220588 0.0441176 0.5220588), wk = 0.0031746 k( 313) = ( 0.5147059 0.0294118 0.5147059), wk = 0.0031746 k( 314) = ( 0.5073529 0.0147059 0.5073529), wk = 0.0031746 k( 315) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031746 Dense grid: 74825 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 24933 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 180, 56) NL pseudopotentials 0.19 Mb ( 90, 136) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2079) G-vector shells 0.00 Mb ( 530) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.62 Mb ( 180, 224) Each subspace H/S matrix 0.05 Mb ( 56, 56) Each matrix 0.23 Mb ( 136, 2, 56) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./ScInAu2.save/charge-density.dat Starting wfc are 74 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 4.0 secs Computing kpt #: 3 total cpu time spent up to now is 4.7 secs Computing kpt #: 4 total cpu time spent up to now is 5.3 secs Computing kpt #: 5 total cpu time spent up to now is 5.9 secs Computing kpt #: 6 total cpu time spent up to now is 6.5 secs Computing kpt #: 7 total cpu time spent up to now is 7.2 secs Computing kpt #: 8 total cpu time spent up to now is 7.8 secs Computing kpt #: 9 total cpu time spent up to now is 8.4 secs Computing kpt #: 10 total cpu time spent up to now is 9.1 secs Computing kpt #: 11 total cpu time spent up to now is 9.7 secs Computing kpt #: 12 total cpu time spent up to now is 10.3 secs Computing kpt #: 13 total cpu time spent up to now is 11.0 secs Computing kpt #: 14 total cpu time spent up to now is 11.7 secs Computing kpt #: 15 total cpu time spent up to now is 12.4 secs Computing kpt #: 16 total cpu time spent up to now is 13.1 secs Computing kpt #: 17 total cpu time spent up to now is 14.0 secs Computing kpt #: 18 total cpu time spent up to now is 17.5 secs Computing kpt #: 19 total cpu time spent up to now is 18.2 secs Computing kpt #: 20 total cpu time spent up to now is 18.9 secs Computing kpt #: 21 total cpu time spent up to now is 19.6 secs Computing kpt #: 22 total cpu time spent up to now is 20.4 secs Computing kpt #: 23 total cpu time spent up to now is 21.2 secs Computing kpt #: 24 total cpu time spent up to now is 21.9 secs Computing kpt #: 25 total cpu time spent up to now is 22.5 secs Computing kpt #: 26 total cpu time spent up to now is 23.1 secs Computing kpt #: 27 total cpu time spent up to now is 23.7 secs Computing kpt #: 28 total cpu time spent up to now is 24.3 secs Computing kpt #: 29 total cpu time spent up to now is 24.9 secs Computing kpt #: 30 total cpu time spent up to now is 25.5 secs Computing kpt #: 31 total cpu time spent up to now is 26.1 secs Computing kpt #: 32 total cpu time spent up to now is 26.7 secs Computing kpt #: 33 total cpu time spent up to now is 27.3 secs Computing kpt #: 34 total cpu time spent up to now is 27.9 secs Computing kpt #: 35 total cpu time spent up to now is 28.5 secs Computing kpt #: 36 total cpu time spent up to now is 29.1 secs Computing kpt #: 37 total cpu time spent up to now is 29.9 secs Computing kpt #: 38 total cpu time spent up to now is 30.5 secs Computing kpt #: 39 total cpu time spent up to now is 31.1 secs Computing kpt #: 40 total cpu time spent up to now is 31.7 secs Computing kpt #: 41 total cpu time spent up to now is 32.4 secs Computing kpt #: 42 total cpu time spent up to now is 33.0 secs Computing kpt #: 43 total cpu time spent up to now is 33.7 secs Computing kpt #: 44 total cpu time spent up to now is 34.3 secs Computing kpt #: 45 total cpu time spent up to now is 35.0 secs Computing kpt #: 46 total cpu time spent up to now is 35.6 secs Computing kpt #: 47 total cpu time spent up to now is 36.2 secs Computing kpt #: 48 total cpu time spent up to now is 36.9 secs Computing kpt #: 49 total cpu time spent up to now is 37.5 secs Computing kpt #: 50 total cpu time spent up to now is 38.2 secs Computing kpt #: 51 total cpu time spent up to now is 38.8 secs Computing kpt #: 52 total cpu time spent up to now is 39.5 secs Computing kpt #: 53 total cpu time spent up to now is 40.1 secs Computing kpt #: 54 total cpu time spent up to now is 40.8 secs Computing kpt #: 55 total cpu time spent up to now is 41.4 secs Computing kpt #: 56 total cpu time spent up to now is 42.0 secs Computing kpt #: 57 total cpu time spent up to now is 42.5 secs Computing kpt #: 58 total cpu time spent up to now is 43.1 secs Computing kpt #: 59 total cpu time spent up to now is 43.7 secs Computing kpt #: 60 total cpu time spent up to now is 44.3 secs Computing kpt #: 61 total cpu time spent up to now is 44.9 secs Computing kpt #: 62 total cpu time spent up to now is 45.5 secs Computing kpt #: 63 total cpu time spent up to now is 46.1 secs Computing kpt #: 64 total cpu time spent up to now is 46.6 secs Computing kpt #: 65 total cpu time spent up to now is 47.2 secs Computing kpt #: 66 total cpu time spent up to now is 47.8 secs Computing kpt #: 67 total cpu time spent up to now is 48.4 secs Computing kpt #: 68 total cpu time spent up to now is 48.9 secs Computing kpt #: 69 total cpu time spent up to now is 49.5 secs Computing kpt #: 70 total cpu time spent up to now is 50.1 secs Computing kpt #: 71 total cpu time spent up to now is 50.7 secs Computing kpt #: 72 total cpu time spent up to now is 51.2 secs Computing kpt #: 73 total cpu time spent up to now is 51.8 secs Computing kpt #: 74 total cpu time spent up to now is 52.3 secs Computing kpt #: 75 total cpu time spent up to now is 52.9 secs Computing kpt #: 76 total cpu time spent up to now is 53.5 secs Computing kpt #: 77 total cpu time spent up to now is 54.0 secs Computing kpt #: 78 total cpu time spent up to now is 54.6 secs Computing kpt #: 79 total cpu time spent up to now is 55.2 secs Computing kpt #: 80 total cpu time spent up to now is 55.7 secs Computing kpt #: 81 total cpu time spent up to now is 56.3 secs Computing kpt #: 82 total cpu time spent up to now is 56.9 secs Computing kpt #: 83 total cpu time spent up to now is 57.5 secs Computing kpt #: 84 total cpu time spent up to now is 58.1 secs Computing kpt #: 85 total cpu time spent up to now is 58.7 secs Computing kpt #: 86 total cpu time spent up to now is 59.3 secs Computing kpt #: 87 total cpu time spent up to now is 59.9 secs Computing kpt #: 88 total cpu time spent up to now is 60.5 secs Computing kpt #: 89 total cpu time spent up to now is 61.1 secs Computing kpt #: 90 total cpu time spent up to now is 61.7 secs Computing kpt #: 91 total cpu time spent up to now is 62.3 secs Computing kpt #: 92 total cpu time spent up to now is 62.9 secs Computing kpt #: 93 total cpu time spent up to now is 63.5 secs Computing kpt #: 94 total cpu time spent up to now is 64.1 secs Computing kpt #: 95 total cpu time spent up to now is 64.7 secs Computing kpt #: 96 total cpu time spent up to now is 65.2 secs Computing kpt #: 97 total cpu time spent up to now is 65.8 secs Computing kpt #: 98 total cpu time spent up to now is 66.4 secs Computing kpt #: 99 total cpu time spent up to now is 67.0 secs Computing kpt #: 100 total cpu time spent up to now is 67.6 secs Computing kpt #: 101 total cpu time spent up to now is 68.2 secs Computing kpt #: 102 total cpu time spent up to now is 68.8 secs Computing kpt #: 103 total cpu time spent up to now is 69.5 secs Computing kpt #: 104 total cpu time spent up to now is 70.1 secs Computing kpt #: 105 total cpu time spent up to now is 70.9 secs Computing kpt #: 106 total cpu time spent up to now is 71.6 secs Computing kpt #: 107 total cpu time spent up to now is 72.3 secs Computing kpt #: 108 total cpu time spent up to now is 73.0 secs Computing kpt #: 109 total cpu time spent up to now is 73.7 secs Computing kpt #: 110 total cpu time spent up to now is 74.4 secs Computing kpt #: 111 total cpu time spent up to now is 75.1 secs Computing kpt #: 112 total cpu time spent up to now is 75.7 secs Computing kpt #: 113 total cpu time spent up to now is 76.3 secs Computing kpt #: 114 total cpu time spent up to now is 77.0 secs Computing kpt #: 115 total cpu time spent up to now is 77.6 secs Computing kpt #: 116 total cpu time spent up to now is 78.2 secs Computing kpt #: 117 total cpu time spent up to now is 78.8 secs Computing kpt #: 118 total cpu time spent up to now is 79.5 secs Computing kpt #: 119 total cpu time spent up to now is 80.3 secs Computing kpt #: 120 total cpu time spent up to now is 81.0 secs Computing kpt #: 121 total cpu time spent up to now is 81.7 secs Computing kpt #: 122 total cpu time spent up to now is 82.5 secs Computing kpt #: 123 total cpu time spent up to now is 83.2 secs Computing kpt #: 124 total cpu time spent up to now is 84.0 secs Computing kpt #: 125 total cpu time spent up to now is 84.7 secs Computing kpt #: 126 total cpu time spent up to now is 85.5 secs Computing kpt #: 127 total cpu time spent up to now is 86.2 secs Computing kpt #: 128 total cpu time spent up to now is 86.9 secs Computing kpt #: 129 total cpu time spent up to now is 87.6 secs Computing kpt #: 130 total cpu time spent up to now is 88.4 secs Computing kpt #: 131 total cpu time spent up to now is 89.0 secs Computing kpt #: 132 total cpu time spent up to now is 89.7 secs Computing kpt #: 133 total cpu time spent up to now is 90.5 secs Computing kpt #: 134 total cpu time spent up to now is 91.1 secs Computing kpt #: 135 total cpu time spent up to now is 91.8 secs Computing kpt #: 136 total cpu time spent up to now is 92.4 secs Computing kpt #: 137 total cpu time spent up to now is 93.0 secs Computing kpt #: 138 total cpu time spent up to now is 93.6 secs Computing kpt #: 139 total cpu time spent up to now is 94.2 secs Computing kpt #: 140 total cpu time spent up to now is 94.8 secs Computing kpt #: 141 total cpu time spent up to now is 95.4 secs Computing kpt #: 142 total cpu time spent up to now is 96.0 secs Computing kpt #: 143 total cpu time spent up to now is 96.7 secs Computing kpt #: 144 total cpu time spent up to now is 97.3 secs Computing kpt #: 145 total cpu time spent up to now is 97.8 secs Computing kpt #: 146 total cpu time spent up to now is 98.5 secs Computing kpt #: 147 total cpu time spent up to now is 99.1 secs Computing kpt #: 148 total cpu time spent up to now is 99.7 secs Computing kpt #: 149 total cpu time spent up to now is 100.3 secs Computing kpt #: 150 total cpu time spent up to now is 101.0 secs Computing kpt #: 151 total cpu time spent up to now is 101.6 secs Computing kpt #: 152 total cpu time spent up to now is 102.3 secs Computing kpt #: 153 total cpu time spent up to now is 102.9 secs Computing kpt #: 154 total cpu time spent up to now is 103.6 secs Computing kpt #: 155 total cpu time spent up to now is 104.2 secs Computing kpt #: 156 total cpu time spent up to now is 105.0 secs Computing kpt #: 157 total cpu time spent up to now is 105.7 secs Computing kpt #: 158 total cpu time spent up to now is 106.4 secs Computing kpt #: 159 total cpu time spent up to now is 107.1 secs Computing kpt #: 160 total cpu time spent up to now is 107.9 secs Computing kpt #: 161 total cpu time spent up to now is 108.7 secs Computing kpt #: 162 total cpu time spent up to now is 109.5 secs Computing kpt #: 163 total cpu time spent up to now is 110.3 secs Computing kpt #: 164 total cpu time spent up to now is 111.1 secs Computing kpt #: 165 total cpu time spent up to now is 111.9 secs Computing kpt #: 166 total cpu time spent up to now is 112.8 secs Computing kpt #: 167 total cpu time spent up to now is 113.7 secs Computing kpt #: 168 total cpu time spent up to now is 114.5 secs Computing kpt #: 169 total cpu time spent up to now is 115.3 secs Computing kpt #: 170 total cpu time spent up to now is 116.1 secs Computing kpt #: 171 total cpu time spent up to now is 116.9 secs Computing kpt #: 172 total cpu time spent up to now is 117.8 secs Computing kpt #: 173 total cpu time spent up to now is 118.6 secs Computing kpt #: 174 total cpu time spent up to now is 119.4 secs Computing kpt #: 175 total cpu time spent up to now is 120.2 secs Computing kpt #: 176 total cpu time spent up to now is 121.0 secs Computing kpt #: 177 total cpu time spent up to now is 121.8 secs Computing kpt #: 178 total cpu time spent up to now is 122.5 secs Computing kpt #: 179 total cpu time spent up to now is 123.3 secs Computing kpt #: 180 total cpu time spent up to now is 124.1 secs Computing kpt #: 181 total cpu time spent up to now is 124.8 secs Computing kpt #: 182 total cpu time spent up to now is 125.6 secs Computing kpt #: 183 total cpu time spent up to now is 126.4 secs Computing kpt #: 184 total cpu time spent up to now is 127.2 secs Computing kpt #: 185 total cpu time spent up to now is 127.9 secs Computing kpt #: 186 total cpu time spent up to now is 128.8 secs Computing kpt #: 187 total cpu time spent up to now is 129.7 secs Computing kpt #: 188 total cpu time spent up to now is 130.7 secs Computing kpt #: 189 total cpu time spent up to now is 131.6 secs Computing kpt #: 190 total cpu time spent up to now is 132.2 secs Computing kpt #: 191 total cpu time spent up to now is 132.9 secs Computing kpt #: 192 total cpu time spent up to now is 133.6 secs Computing kpt #: 193 total cpu time spent up to now is 134.3 secs Computing kpt #: 194 total cpu time spent up to now is 135.0 secs Computing kpt #: 195 total cpu time spent up to now is 135.7 secs Computing kpt #: 196 total cpu time spent up to now is 136.4 secs Computing kpt #: 197 total cpu time spent up to now is 137.1 secs Computing kpt #: 198 total cpu time spent up to now is 137.7 secs Computing kpt #: 199 total cpu time spent up to now is 138.5 secs Computing kpt #: 200 total cpu time spent up to now is 139.2 secs Computing kpt #: 201 total cpu time spent up to now is 139.8 secs Computing kpt #: 202 total cpu time spent up to now is 140.5 secs Computing kpt #: 203 total cpu time spent up to now is 141.1 secs Computing kpt #: 204 total cpu time spent up to now is 141.8 secs Computing kpt #: 205 total cpu time spent up to now is 142.4 secs Computing kpt #: 206 total cpu time spent up to now is 143.0 secs Computing kpt #: 207 total cpu time spent up to now is 143.6 secs Computing kpt #: 208 total cpu time spent up to now is 144.2 secs Computing kpt #: 209 total cpu time spent up to now is 144.8 secs Computing kpt #: 210 total cpu time spent up to now is 145.4 secs Computing kpt #: 211 total cpu time spent up to now is 146.0 secs Computing kpt #: 212 total cpu time spent up to now is 146.5 secs Computing kpt #: 213 total cpu time spent up to now is 147.1 secs Computing kpt #: 214 total cpu time spent up to now is 147.7 secs Computing kpt #: 215 total cpu time spent up to now is 148.3 secs Computing kpt #: 216 total cpu time spent up to now is 148.9 secs Computing kpt #: 217 total cpu time spent up to now is 149.5 secs Computing kpt #: 218 total cpu time spent up to now is 150.1 secs Computing kpt #: 219 total cpu time spent up to now is 150.7 secs Computing kpt #: 220 total cpu time spent up to now is 151.3 secs Computing kpt #: 221 total cpu time spent up to now is 151.9 secs Computing kpt #: 222 total cpu time spent up to now is 152.5 secs Computing kpt #: 223 total cpu time spent up to now is 153.1 secs Computing kpt #: 224 total cpu time spent up to now is 153.7 secs Computing kpt #: 225 total cpu time spent up to now is 154.3 secs Computing kpt #: 226 total cpu time spent up to now is 154.9 secs Computing kpt #: 227 total cpu time spent up to now is 155.5 secs Computing kpt #: 228 total cpu time spent up to now is 156.0 secs Computing kpt #: 229 total cpu time spent up to now is 156.6 secs Computing kpt #: 230 total cpu time spent up to now is 157.2 secs Computing kpt #: 231 total cpu time spent up to now is 157.7 secs Computing kpt #: 232 total cpu time spent up to now is 158.3 secs Computing kpt #: 233 total cpu time spent up to now is 158.9 secs Computing kpt #: 234 total cpu time spent up to now is 159.4 secs Computing kpt #: 235 total cpu time spent up to now is 160.0 secs Computing kpt #: 236 total cpu time spent up to now is 160.6 secs Computing kpt #: 237 total cpu time spent up to now is 161.1 secs Computing kpt #: 238 total cpu time spent up to now is 161.7 secs Computing kpt #: 239 total cpu time spent up to now is 162.3 secs Computing kpt #: 240 total cpu time spent up to now is 162.9 secs Computing kpt #: 241 total cpu time spent up to now is 163.4 secs Computing kpt #: 242 total cpu time spent up to now is 164.0 secs Computing kpt #: 243 total cpu time spent up to now is 164.6 secs Computing kpt #: 244 total cpu time spent up to now is 165.2 secs Computing kpt #: 245 total cpu time spent up to now is 165.8 secs Computing kpt #: 246 total cpu time spent up to now is 166.4 secs Computing kpt #: 247 total cpu time spent up to now is 167.0 secs Computing kpt #: 248 total cpu time spent up to now is 167.7 secs Computing kpt #: 249 total cpu time spent up to now is 168.3 secs Computing kpt #: 250 total cpu time spent up to now is 169.0 secs Computing kpt #: 251 total cpu time spent up to now is 169.7 secs Computing kpt #: 252 total cpu time spent up to now is 170.4 secs Computing kpt #: 253 total cpu time spent up to now is 171.0 secs Computing kpt #: 254 total cpu time spent up to now is 171.6 secs Computing kpt #: 255 total cpu time spent up to now is 172.3 secs Computing kpt #: 256 total cpu time spent up to now is 173.0 secs Computing kpt #: 257 total cpu time spent up to now is 173.7 secs Computing kpt #: 258 total cpu time spent up to now is 174.3 secs Computing kpt #: 259 total cpu time spent up to now is 175.0 secs Computing kpt #: 260 total cpu time spent up to now is 175.7 secs Computing kpt #: 261 total cpu time spent up to now is 176.4 secs Computing kpt #: 262 total cpu time spent up to now is 177.1 secs Computing kpt #: 263 total cpu time spent up to now is 177.8 secs Computing kpt #: 264 total cpu time spent up to now is 178.5 secs Computing kpt #: 265 total cpu time spent up to now is 179.3 secs Computing kpt #: 266 total cpu time spent up to now is 180.2 secs Computing kpt #: 267 total cpu time spent up to now is 181.0 secs Computing kpt #: 268 total cpu time spent up to now is 181.8 secs Computing kpt #: 269 total cpu time spent up to now is 182.7 secs Computing kpt #: 270 total cpu time spent up to now is 183.5 secs Computing kpt #: 271 total cpu time spent up to now is 184.2 secs Computing kpt #: 272 total cpu time spent up to now is 184.9 secs Computing kpt #: 273 total cpu time spent up to now is 185.6 secs Computing kpt #: 274 total cpu time spent up to now is 186.3 secs Computing kpt #: 275 total cpu time spent up to now is 186.9 secs Computing kpt #: 276 total cpu time spent up to now is 187.6 secs Computing kpt #: 277 total cpu time spent up to now is 188.3 secs Computing kpt #: 278 total cpu time spent up to now is 189.0 secs Computing kpt #: 279 total cpu time spent up to now is 189.7 secs Computing kpt #: 280 total cpu time spent up to now is 190.4 secs Computing kpt #: 281 total cpu time spent up to now is 191.1 secs Computing kpt #: 282 total cpu time spent up to now is 191.8 secs Computing kpt #: 283 total cpu time spent up to now is 192.5 secs Computing kpt #: 284 total cpu time spent up to now is 193.2 secs Computing kpt #: 285 total cpu time spent up to now is 193.8 secs Computing kpt #: 286 total cpu time spent up to now is 194.5 secs Computing kpt #: 287 total cpu time spent up to now is 195.1 secs Computing kpt #: 288 total cpu time spent up to now is 195.7 secs Computing kpt #: 289 total cpu time spent up to now is 196.3 secs Computing kpt #: 290 total cpu time spent up to now is 196.9 secs Computing kpt #: 291 total cpu time spent up to now is 197.5 secs Computing kpt #: 292 total cpu time spent up to now is 198.1 secs Computing kpt #: 293 total cpu time spent up to now is 198.7 secs Computing kpt #: 294 total cpu time spent up to now is 199.3 secs Computing kpt #: 295 total cpu time spent up to now is 199.9 secs Computing kpt #: 296 total cpu time spent up to now is 200.5 secs Computing kpt #: 297 total cpu time spent up to now is 201.1 secs Computing kpt #: 298 total cpu time spent up to now is 201.7 secs Computing kpt #: 299 total cpu time spent up to now is 202.3 secs Computing kpt #: 300 total cpu time spent up to now is 202.9 secs Computing kpt #: 301 total cpu time spent up to now is 203.5 secs Computing kpt #: 302 total cpu time spent up to now is 204.1 secs Computing kpt #: 303 total cpu time spent up to now is 204.7 secs Computing kpt #: 304 total cpu time spent up to now is 205.3 secs Computing kpt #: 305 total cpu time spent up to now is 205.9 secs Computing kpt #: 306 total cpu time spent up to now is 206.5 secs Computing kpt #: 307 total cpu time spent up to now is 207.0 secs Computing kpt #: 308 total cpu time spent up to now is 207.7 secs Computing kpt #: 309 total cpu time spent up to now is 208.3 secs Computing kpt #: 310 total cpu time spent up to now is 209.0 secs Computing kpt #: 311 total cpu time spent up to now is 209.6 secs Computing kpt #: 312 total cpu time spent up to now is 210.3 secs Computing kpt #: 313 total cpu time spent up to now is 210.9 secs Computing kpt #: 314 total cpu time spent up to now is 211.6 secs Computing kpt #: 315 total cpu time spent up to now is 212.2 secs ethr = 2.17E-08, avg # of iterations = 21.9 total cpu time spent up to now is 212.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3119 PWs) bands (ev): -35.3836 -35.3836 -14.3590 -14.3590 -13.8524 -13.8524 -13.8524 -13.8524 -0.5724 -0.5724 -0.5724 -0.5724 0.2478 0.2478 0.2729 0.2729 0.2729 0.2729 4.8165 4.8165 8.2975 8.2975 8.2975 8.2975 8.5047 8.5047 8.5047 8.5047 9.1011 9.1011 10.2918 10.2918 10.2918 10.2918 10.9239 10.9239 11.2568 11.2568 11.2568 11.2568 13.8605 13.8605 14.5406 14.5406 14.5406 14.5406 16.0614 16.0614 16.5229 16.5229 16.5229 16.5229 16.9418 16.9418 17.6108 17.6108 k = 0.0106-0.0061 0.0087 ( 3119 PWs) bands (ev): -35.3836 -35.3836 -14.3590 -14.3590 -13.8524 -13.8524 -13.8524 -13.8524 -0.5724 -0.5724 -0.5724 -0.5724 0.2478 0.2478 0.2729 0.2729 0.2729 0.2729 4.8182 4.8182 8.2966 8.2966 8.2981 8.2981 8.5049 8.5049 8.5058 8.5058 9.1013 9.1013 10.2916 10.2916 10.2917 10.2917 10.9235 10.9235 11.2540 11.2540 11.2567 11.2567 13.8578 13.8578 14.5323 14.5323 14.5377 14.5377 16.0737 16.0737 16.5184 16.5184 16.5223 16.5223 16.9308 16.9308 17.6215 17.6215 k = 0.0213-0.0123 0.0174 ( 3119 PWs) bands (ev): -35.3836 -35.3836 -14.3590 -14.3590 -13.8524 -13.8524 -13.8524 -13.8524 -0.5724 -0.5724 -0.5724 -0.5724 0.2478 0.2478 0.2729 0.2729 0.2729 0.2729 4.8235 4.8235 8.2941 8.2941 8.3001 8.3001 8.5054 8.5054 8.5092 8.5092 9.1018 9.1018 10.2908 10.2908 10.2914 10.2914 10.9223 10.9223 11.2454 11.2454 11.2563 11.2563 13.8497 13.8497 14.5084 14.5084 14.5290 14.5290 16.1097 16.1097 16.5038 16.5038 16.5204 16.5204 16.9014 16.9014 17.6512 17.6512 k = 0.0319-0.0184 0.0261 ( 3123 PWs) bands (ev): -35.3836 -35.3836 -14.3590 -14.3590 -13.8524 -13.8524 -13.8524 -13.8524 -0.5725 -0.5725 -0.5723 -0.5723 0.2478 0.2478 0.2730 0.2730 0.2730 0.2730 4.8324 4.8324 8.2900 8.2900 8.3034 8.3034 8.5062 8.5062 8.5145 8.5145 9.1028 9.1028 10.2896 10.2896 10.2908 10.2908 10.9204 10.9204 11.2312 11.2312 11.2557 11.2557 13.8363 13.8363 14.4712 14.4712 14.5147 14.5147 16.1669 16.1669 16.4761 16.4761 16.5172 16.5172 16.8630 16.8630 17.6950 17.6950 k = 0.0426-0.0246 0.0347 ( 3123 PWs) bands (ev): -35.3836 -35.3836 -14.3591 -14.3591 -13.8525 -13.8525 -13.8524 -13.8524 -0.5725 -0.5725 -0.5722 -0.5722 0.2478 0.2478 0.2730 0.2730 0.2731 0.2731 4.8447 4.8447 8.2845 8.2845 8.3080 8.3080 8.5074 8.5074 8.5218 8.5218 9.1042 9.1042 10.2879 10.2879 10.2900 10.2900 10.9176 10.9176 11.2116 11.2116 11.2549 11.2549 13.8181 13.8181 14.4236 14.4236 14.4951 14.4951 16.2418 16.2418 16.4319 16.4319 16.5129 16.5129 16.8257 16.8257 17.7483 17.7483 k = 0.0532-0.0307 0.0434 ( 3123 PWs) bands (ev): -35.3836 -35.3836 -14.3591 -14.3591 -13.8526 -13.8526 -13.8524 -13.8524 -0.5726 -0.5726 -0.5721 -0.5721 0.2478 0.2478 0.2731 0.2731 0.2733 0.2733 4.8606 4.8606 8.2776 8.2776 8.3138 8.3138 8.5088 8.5088 8.5309 8.5309 9.1061 9.1061 10.2858 10.2858 10.2889 10.2889 10.9139 10.9139 11.1867 11.1867 11.2538 11.2538 13.7955 13.7955 14.3687 14.3687 14.4707 14.4707 16.3308 16.3308 16.3691 16.3691 16.5076 16.5076 16.7966 16.7966 17.8082 17.8082 k = 0.0638-0.0369 0.0521 ( 3123 PWs) bands (ev): -35.3836 -35.3836 -14.3591 -14.3591 -13.8527 -13.8527 -13.8524 -13.8524 -0.5726 -0.5726 -0.5719 -0.5719 0.2479 0.2479 0.2733 0.2733 0.2735 0.2735 4.8799 4.8799 8.2695 8.2695 8.3209 8.3209 8.5106 8.5106 8.5415 8.5415 9.1087 9.1087 10.2833 10.2833 10.2875 10.2875 10.9093 10.9093 11.1569 11.1569 11.2525 11.2525 13.7690 13.7690 14.3089 14.3089 14.4418 14.4418 16.2890 16.2890 16.4295 16.4295 16.5024 16.5024 16.7777 16.7777 17.8731 17.8731 k = 0.0745-0.0430 0.0608 ( 3107 PWs) bands (ev): -35.3836 -35.3836 -14.3591 -14.3591 -13.8527 -13.8527 -13.8524 -13.8524 -0.5726 -0.5726 -0.5715 -0.5715 0.2481 0.2481 0.2735 0.2735 0.2740 0.2740 4.9027 4.9027 8.2602 8.2602 8.3292 8.3292 8.5127 8.5127 8.5535 8.5535 9.1118 9.1118 10.2804 10.2804 10.2857 10.2857 10.9036 10.9036 11.1227 11.1227 11.2510 11.2510 13.7392 13.7392 14.2465 14.2465 14.4091 14.4091 16.1955 16.1955 16.4873 16.4873 16.5453 16.5453 16.7678 16.7678 17.9418 17.9418 k = 0.0851-0.0491 0.0695 ( 3099 PWs) bands (ev): -35.3836 -35.3836 -14.3591 -14.3591 -13.8528 -13.8528 -13.8525 -13.8525 -0.5726 -0.5726 -0.5712 -0.5712 0.2482 0.2482 0.2738 0.2738 0.2743 0.2743 4.9290 4.9290 8.2499 8.2499 8.3387 8.3387 8.5152 8.5152 8.5667 8.5667 9.1158 9.1158 10.2772 10.2772 10.2836 10.2836 10.8964 10.8964 11.0848 11.0848 11.2494 11.2494 13.7069 13.7069 14.1826 14.1826 14.3729 14.3729 16.0922 16.0922 16.4807 16.4807 16.6574 16.6574 16.7645 16.7645 18.0134 18.0134 k = 0.0957-0.0553 0.0782 ( 3099 PWs) bands (ev): -35.3836 -35.3836 -14.3592 -14.3592 -13.8529 -13.8529 -13.8525 -13.8525 -0.5727 -0.5727 -0.5710 -0.5710 0.2482 0.2482 0.2740 0.2740 0.2745 0.2745 4.9586 4.9586 8.2386 8.2386 8.3492 8.3492 8.5179 8.5179 8.5810 8.5810 9.1206 9.1206 10.2736 10.2736 10.2810 10.2810 10.8870 10.8870 11.0442 11.0442 11.2476 11.2476 13.6726 13.6726 14.1184 14.1184 14.3339 14.3339 15.9820 15.9820 16.4708 16.4708 16.7661 16.7661 16.7757 16.7757 18.0869 18.0869 k = 0.1064-0.0614 0.0869 ( 3103 PWs) bands (ev): -35.3835 -35.3835 -14.3592 -14.3592 -13.8531 -13.8531 -13.8525 -13.8525 -0.5727 -0.5727 -0.5709 -0.5709 0.2483 0.2483 0.2743 0.2743 0.2747 0.2747 4.9916 4.9916 8.2262 8.2262 8.3607 8.3607 8.5210 8.5210 8.5963 8.5963 9.1263 9.1263 10.2698 10.2698 10.2778 10.2778 10.8740 10.8740 11.0031 11.0031 11.2457 11.2457 13.6370 13.6370 14.0545 14.0545 14.2924 14.2924 15.8669 15.8669 16.4594 16.4594 16.7712 16.7712 16.8966 16.8966 18.1605 18.1605 k = 0.1170-0.0676 0.0955 ( 3107 PWs) bands (ev): -35.3835 -35.3835 -14.3593 -14.3593 -13.8532 -13.8532 -13.8526 -13.8526 -0.5728 -0.5728 -0.5706 -0.5706 0.2482 0.2482 0.2746 0.2746 0.2750 0.2750 5.0278 5.0278 8.2129 8.2129 8.3732 8.3732 8.5244 8.5244 8.6124 8.6124 9.1330 9.1330 10.2658 10.2658 10.2740 10.2740 10.8543 10.8543 10.9649 10.9649 11.2436 11.2436 13.6008 13.6008 13.9913 13.9913 14.2490 14.2490 15.7482 15.7482 16.4470 16.4470 16.7790 16.7790 17.0184 17.0184 18.2320 18.2320 k = 0.1277-0.0737 0.1042 ( 3123 PWs) bands (ev): -35.3835 -35.3835 -14.3594 -14.3594 -13.8534 -13.8534 -13.8526 -13.8526 -0.5731 -0.5731 -0.5706 -0.5706 0.2480 0.2480 0.2748 0.2748 0.2752 0.2752 5.0673 5.0673 8.1986 8.1986 8.3865 8.3865 8.5280 8.5280 8.6291 8.6291 9.1409 9.1409 10.2617 10.2617 10.2693 10.2693 10.8240 10.8240 10.9343 10.9343 11.2415 11.2415 13.5644 13.5644 13.9290 13.9290 14.2041 14.2041 15.6267 15.6267 16.4335 16.4335 16.7889 16.7889 17.1398 17.1398 18.2980 18.2980 k = 0.1383-0.0798 0.1129 ( 3123 PWs) bands (ev): -35.3835 -35.3835 -14.3594 -14.3594 -13.8536 -13.8536 -13.8527 -13.8527 -0.5732 -0.5732 -0.5703 -0.5703 0.2480 0.2480 0.2752 0.2752 0.2755 0.2755 5.1101 5.1101 8.1834 8.1834 8.4005 8.4005 8.5321 8.5321 8.6466 8.6466 9.1499 9.1499 10.2575 10.2575 10.2637 10.2637 10.7822 10.7822 10.9128 10.9128 11.2394 11.2394 13.5285 13.5285 13.8677 13.8677 14.1581 14.1581 15.5031 15.5031 16.4191 16.4191 16.8004 16.8004 17.2597 17.2597 18.3538 18.3538 k = 0.1489-0.0860 0.1216 ( 3123 PWs) bands (ev): -35.3835 -35.3835 -14.3595 -14.3595 -13.8538 -13.8538 -13.8527 -13.8527 -0.5733 -0.5733 -0.5700 -0.5700 0.2480 0.2480 0.2756 0.2756 0.2758 0.2758 5.1559 5.1559 8.1672 8.1672 8.4152 8.4152 8.5365 8.5365 8.6645 8.6645 9.1602 9.1602 10.2532 10.2532 10.2567 10.2567 10.7327 10.7327 10.8975 10.8975 11.2372 11.2372 13.4932 13.4932 13.8076 13.8076 14.1114 14.1114 15.3776 15.3776 16.4038 16.4038 16.8133 16.8133 17.3769 17.3769 18.3926 18.3926 k = 0.1596-0.0921 0.1303 ( 3123 PWs) bands (ev): -35.3835 -35.3835 -14.3596 -14.3596 -13.8540 -13.8540 -13.8528 -13.8528 -0.5734 -0.5734 -0.5698 -0.5698 0.2480 0.2480 0.2760 0.2760 0.2760 0.2760 5.2048 5.2048 8.1502 8.1502 8.4302 8.4302 8.5413 8.5413 8.6828 8.6828 9.1717 9.1717 10.2480 10.2480 10.2490 10.2490 10.6794 10.6794 10.8856 10.8856 11.2350 11.2350 13.4589 13.4589 13.7486 13.7486 14.0643 14.0643 15.2506 15.2506 16.3877 16.3877 16.8272 16.8272 17.4905 17.4905 18.4069 18.4069 k = 0.1702-0.0983 0.1390 ( 3123 PWs) bands (ev): -35.3834 -35.3834 -14.3596 -14.3596 -13.8542 -13.8542 -13.8528 -13.8528 -0.5735 -0.5735 -0.5695 -0.5695 0.2480 0.2480 0.2762 0.2762 0.2765 0.2765 5.2566 5.2566 8.1324 8.1324 8.4455 8.4455 8.5465 8.5465 8.7014 8.7014 9.1845 9.1845 10.2371 10.2371 10.2449 10.2449 10.6249 10.6249 10.8753 10.8753 11.2328 11.2328 13.4259 13.4259 13.6910 13.6910 14.0171 14.0171 15.1223 15.1223 16.3708 16.3708 16.8420 16.8420 17.5997 17.5997 18.3651 18.3651 k = 0.1809-0.1044 0.1477 ( 3123 PWs) bands (ev): -35.3834 -35.3834 -14.3597 -14.3597 -13.8544 -13.8544 -13.8529 -13.8529 -0.5736 -0.5736 -0.5693 -0.5693 0.2479 0.2479 0.2764 0.2764 0.2770 0.2770 5.3114 5.3114 8.1138 8.1138 8.4608 8.4608 8.5523 8.5523 8.7203 8.7203 9.1986 9.1986 10.2233 10.2233 10.2410 10.2410 10.5715 10.5715 10.8660 10.8660 11.2308 11.2308 13.3940 13.3940 13.6345 13.6345 13.9698 13.9698 14.9927 14.9927 16.3534 16.3534 16.8574 16.8574 17.7035 17.7035 18.2835 18.2835 k = 0.1915-0.1106 0.1564 ( 3122 PWs) bands (ev): -35.3834 -35.3834 -14.3598 -14.3598 -13.8546 -13.8546 -13.8529 -13.8529 -0.5738 -0.5738 -0.5690 -0.5690 0.2479 0.2479 0.2767 0.2767 0.2775 0.2775 5.3689 5.3689 8.0945 8.0945 8.4759 8.4759 8.5587 8.5587 8.7393 8.7393 9.2140 9.2140 10.2057 10.2057 10.2372 10.2372 10.5208 10.5208 10.8572 10.8572 11.2288 11.2288 13.3635 13.3635 13.5793 13.5793 13.9228 13.9228 14.8620 14.8620 16.3353 16.3353 16.8733 16.8733 17.8007 17.8007 18.1983 18.1983 k = 0.2021-0.1167 0.1650 ( 3118 PWs) bands (ev): -35.3834 -35.3834 -14.3598 -14.3598 -13.8548 -13.8548 -13.8529 -13.8529 -0.5739 -0.5739 -0.5688 -0.5688 0.2479 0.2479 0.2768 0.2768 0.2781 0.2781 5.4290 5.4290 8.0745 8.0745 8.4903 8.4903 8.5658 8.5658 8.7583 8.7583 9.2306 9.2306 10.1833 10.1833 10.2338 10.2338 10.4746 10.4746 10.8487 10.8487 11.2269 11.2269 13.3343 13.3343 13.5256 13.5256 13.8764 13.8764 14.7303 14.7303 16.3166 16.3166 16.8894 16.8894 17.8876 17.8876 18.1146 18.1146 k = 0.2128-0.1228 0.1737 ( 3118 PWs) bands (ev): -35.3834 -35.3834 -14.3599 -14.3599 -13.8550 -13.8550 -13.8530 -13.8530 -0.5740 -0.5740 -0.5685 -0.5685 0.2478 0.2478 0.2770 0.2770 0.2787 0.2787 5.4918 5.4918 8.0541 8.0541 8.5038 8.5038 8.5738 8.5738 8.7773 8.7773 9.2484 9.2484 10.1553 10.1553 10.2307 10.2307 10.4342 10.4342 10.8406 10.8406 11.2252 11.2252 13.3063 13.3063 13.4734 13.4734 13.8304 13.8304 14.5977 14.5977 16.2976 16.2976 16.9056 16.9056 17.9393 17.9393 18.0586 18.0586 k = 0.2234-0.1290 0.1824 ( 3102 PWs) bands (ev): -35.3833 -35.3833 -14.3599 -14.3599 -13.8551 -13.8551 -13.8530 -13.8530 -0.5741 -0.5741 -0.5680 -0.5680 0.2477 0.2477 0.2774 0.2774 0.2794 0.2794 5.5569 5.5569 8.0333 8.0333 8.5162 8.5162 8.5826 8.5826 8.7961 8.7961 9.2673 9.2673 10.1218 10.1218 10.2280 10.2280 10.4004 10.4004 10.8328 10.8328 11.2236 11.2236 13.2794 13.2794 13.4229 13.4229 13.7852 13.7852 14.4644 14.4644 16.2782 16.2782 16.9217 16.9217 17.8920 17.8920 18.0006 18.0006 k = 0.2340-0.1351 0.1911 ( 3102 PWs) bands (ev): -35.3833 -35.3833 -14.3600 -14.3600 -13.8554 -13.8554 -13.8531 -13.8531 -0.5743 -0.5743 -0.5678 -0.5678 0.2476 0.2476 0.2775 0.2775 0.2800 0.2800 5.6242 5.6242 8.0121 8.0121 8.5271 8.5271 8.5923 8.5923 8.8148 8.8148 9.2871 9.2871 10.0835 10.0835 10.2257 10.2257 10.3726 10.3726 10.8253 10.8253 11.2223 11.2223 13.2533 13.2533 13.3743 13.3743 13.7407 13.7407 14.3305 14.3305 16.2585 16.2585 16.9374 16.9374 17.8076 17.8076 17.9012 17.9012 k = 0.2447-0.1413 0.1998 ( 3122 PWs) bands (ev): -35.3833 -35.3833 -14.3601 -14.3601 -13.8556 -13.8556 -13.8532 -13.8532 -0.5746 -0.5746 -0.5679 -0.5679 0.2473 0.2473 0.2773 0.2773 0.2805 0.2805 5.6936 5.6936 7.9907 7.9907 8.5367 8.5367 8.6024 8.6024 8.8332 8.8332 9.3077 9.3077 10.0422 10.0422 10.2237 10.2237 10.3499 10.3499 10.8182 10.8182 11.2212 11.2212 13.2275 13.2275 13.3280 13.3280 13.6970 13.6970 14.1963 14.1963 16.2386 16.2386 16.9525 16.9525 17.7184 17.7184 17.8015 17.8015 k = 0.2553-0.1474 0.2085 ( 3122 PWs) bands (ev): -35.3833 -35.3833 -14.3602 -14.3602 -13.8558 -13.8558 -13.8532 -13.8532 -0.5748 -0.5748 -0.5678 -0.5678 0.2471 0.2471 0.2774 0.2774 0.2811 0.2811 5.7650 5.7650 7.9693 7.9693 8.5451 8.5451 8.6127 8.6127 8.8514 8.8514 9.3291 9.3291 9.9996 9.9996 10.2223 10.2223 10.3309 10.3309 10.8113 10.8113 11.2204 11.2204 13.2014 13.2014 13.2849 13.2849 13.6541 13.6541 14.0621 14.0621 16.2187 16.2187 16.9668 16.9668 17.6289 17.6289 17.7024 17.7024 k = 0.2660-0.1536 0.2172 ( 3106 PWs) bands (ev): -35.3832 -35.3832 -14.3602 -14.3602 -13.8560 -13.8560 -13.8533 -13.8533 -0.5749 -0.5749 -0.5674 -0.5674 0.2471 0.2471 0.2775 0.2775 0.2819 0.2819 5.8380 5.8380 7.9478 7.9478 8.5526 8.5526 8.6226 8.6226 8.8693 8.8693 9.3509 9.3509 9.9574 9.9574 10.2213 10.2213 10.3145 10.3145 10.8049 10.8049 11.2200 11.2200 13.1737 13.1737 13.2462 13.2462 13.6120 13.6120 13.9283 13.9283 16.1987 16.1987 16.9800 16.9800 17.5407 17.5407 17.6047 17.6047 k = 0.2766-0.1597 0.2258 ( 3098 PWs) bands (ev): -35.3832 -35.3832 -14.3602 -14.3602 -13.8562 -13.8562 -13.8533 -13.8533 -0.5749 -0.5749 -0.5673 -0.5673 0.2470 0.2470 0.2775 0.2775 0.2826 0.2826 5.9125 5.9125 7.9266 7.9266 8.5592 8.5592 8.6315 8.6315 8.8869 8.8869 9.3731 9.3731 9.9168 9.9168 10.2207 10.2207 10.2999 10.2999 10.7988 10.7988 11.2198 11.2198 13.1430 13.1430 13.2130 13.2130 13.5700 13.5700 13.7958 13.7958 16.1789 16.1789 16.9919 16.9919 17.4544 17.4544 17.5090 17.5090 k = 0.2872-0.1658 0.2345 ( 3086 PWs) bands (ev): -35.3832 -35.3832 -14.3603 -14.3603 -13.8564 -13.8564 -13.8533 -13.8533 -0.5750 -0.5750 -0.5671 -0.5671 0.2469 0.2469 0.2775 0.2775 0.2835 0.2835 5.9882 5.9882 7.9055 7.9055 8.5652 8.5652 8.6390 8.6390 8.9043 8.9043 9.3954 9.3954 9.8790 9.8790 10.2205 10.2205 10.2863 10.2863 10.7931 10.7931 11.2200 11.2200 13.1092 13.1092 13.1856 13.1856 13.5263 13.5263 13.6667 13.6667 16.1592 16.1592 17.0021 17.0021 17.3704 17.3704 17.4158 17.4158 k = 0.2979-0.1720 0.2432 ( 3090 PWs) bands (ev): -35.3832 -35.3832 -14.3603 -14.3603 -13.8566 -13.8566 -13.8534 -13.8534 -0.5752 -0.5752 -0.5670 -0.5670 0.2467 0.2467 0.2774 0.2774 0.2841 0.2841 6.0649 6.0649 7.8849 7.8849 8.5706 8.5706 8.6448 8.6448 8.9215 8.9215 9.4175 9.4175 9.8446 9.8446 10.2207 10.2207 10.2733 10.2733 10.7878 10.7878 11.2207 11.2207 13.0734 13.0734 13.1629 13.1629 13.4705 13.4705 13.5519 13.5519 16.1397 16.1397 17.0106 17.0106 17.2890 17.2890 17.3254 17.3254 k = 0.3085-0.1781 0.2519 ( 3090 PWs) bands (ev): -35.3832 -35.3832 -14.3604 -14.3604 -13.8568 -13.8568 -13.8534 -13.8534 -0.5754 -0.5754 -0.5670 -0.5670 0.2465 0.2465 0.2772 0.2772 0.2847 0.2847 6.1422 6.1422 7.8647 7.8647 8.5757 8.5757 8.6485 8.6485 8.9386 8.9386 9.4392 9.4392 9.8142 9.8142 10.2212 10.2212 10.2607 10.2607 10.7830 10.7830 11.2217 11.2217 13.0369 13.0369 13.1435 13.1435 13.3728 13.3728 13.4816 13.4816 16.1206 16.1206 17.0170 17.0170 17.2107 17.2107 17.2381 17.2381 k = 0.3191-0.1843 0.2606 ( 3090 PWs) bands (ev): -35.3831 -35.3831 -14.3604 -14.3604 -13.8569 -13.8569 -13.8535 -13.8535 -0.5756 -0.5756 -0.5669 -0.5669 0.2463 0.2463 0.2770 0.2770 0.2854 0.2854 6.2197 6.2197 7.8452 7.8452 8.5803 8.5803 8.6500 8.6500 8.9555 8.9555 9.4602 9.4602 9.7883 9.7883 10.2220 10.2220 10.2482 10.2482 10.7785 10.7785 11.2232 11.2232 13.0009 13.0009 13.1263 13.1263 13.2510 13.2510 13.4386 13.4386 16.1020 16.1020 17.0209 17.0209 17.1354 17.1354 17.1547 17.1547 k = 0.3298-0.1904 0.2693 ( 3090 PWs) bands (ev): -35.3831 -35.3831 -14.3605 -14.3605 -13.8571 -13.8571 -13.8535 -13.8535 -0.5758 -0.5758 -0.5669 -0.5669 0.2461 0.2461 0.2769 0.2769 0.2860 0.2860 6.2972 6.2972 7.8263 7.8263 8.5846 8.5846 8.6492 8.6492 8.9726 8.9726 9.4803 9.4803 9.7670 9.7670 10.2230 10.2230 10.2358 10.2358 10.7745 10.7745 11.2252 11.2252 12.9659 12.9659 13.1108 13.1108 13.1261 13.1261 13.4023 13.4023 16.0838 16.0838 17.0206 17.0206 17.0636 17.0636 17.0768 17.0768 k = 0.3404-0.1965 0.2780 ( 3090 PWs) bands (ev): -35.3831 -35.3831 -14.3605 -14.3605 -13.8573 -13.8573 -13.8536 -13.8536 -0.5760 -0.5760 -0.5669 -0.5669 0.2459 0.2459 0.2767 0.2767 0.2866 0.2866 6.3742 6.3742 7.8082 7.8082 8.5886 8.5886 8.6462 8.6462 8.9898 8.9898 9.4991 9.4991 9.7505 9.7505 10.2234 10.2234 10.2240 10.2240 10.7709 10.7709 11.2277 11.2278 12.9322 12.9322 13.0025 13.0025 13.0967 13.0967 13.3689 13.3689 16.0663 16.0663 16.9889 16.9889 16.9953 16.9953 17.0321 17.0321 k = 0.3511-0.2027 0.2866 ( 3094 PWs) bands (ev): -35.3831 -35.3831 -14.3606 -14.3606 -13.8574 -13.8574 -13.8536 -13.8536 -0.5762 -0.5762 -0.5669 -0.5669 0.2457 0.2457 0.2763 0.2763 0.2872 0.2872 6.4503 6.4503 7.7910 7.7910 8.5922 8.5922 8.6410 8.6410 9.0072 9.0072 9.5162 9.5162 9.7384 9.7384 10.2108 10.2108 10.2252 10.2252 10.7676 10.7676 11.2308 11.2308 12.8816 12.8816 12.9000 12.9000 13.0838 13.0838 13.3376 13.3376 16.0494 16.0494 16.9202 16.9202 16.9307 16.9307 17.0263 17.0263 k = 0.3617-0.2088 0.2953 ( 3094 PWs) bands (ev): -35.3831 -35.3831 -14.3606 -14.3606 -13.8576 -13.8576 -13.8536 -13.8536 -0.5764 -0.5764 -0.5669 -0.5669 0.2455 0.2455 0.2761 0.2761 0.2877 0.2877 6.5249 6.5249 7.7748 7.7748 8.5954 8.5954 8.6342 8.6342 9.0251 9.0251 9.5314 9.5314 9.7307 9.7307 10.1981 10.1981 10.2263 10.2263 10.7648 10.7648 11.2345 11.2345 12.7642 12.7642 12.8695 12.8695 13.0720 13.0720 13.3082 13.3082 16.0334 16.0334 16.8524 16.8524 16.8700 16.8700 17.0220 17.0220 k = 0.3723-0.2150 0.3040 ( 3090 PWs) bands (ev): -35.3831 -35.3831 -14.3607 -14.3607 -13.8577 -13.8577 -13.8537 -13.8537 -0.5766 -0.5766 -0.5669 -0.5669 0.2453 0.2453 0.2759 0.2759 0.2883 0.2883 6.5975 6.5975 7.7597 7.7597 8.5979 8.5979 8.6262 8.6262 9.0435 9.0435 9.5443 9.5443 9.7270 9.7270 10.1854 10.1854 10.2274 10.2274 10.7622 10.7622 11.2387 11.2387 12.6512 12.6512 12.8408 12.8408 13.0612 13.0612 13.2805 13.2805 16.0181 16.0181 16.7885 16.7885 16.8132 16.8132 17.0167 17.0167 k = 0.3830-0.2211 0.3127 ( 3102 PWs) bands (ev): -35.3830 -35.3830 -14.3608 -14.3608 -13.8579 -13.8579 -13.8538 -13.8538 -0.5768 -0.5768 -0.5670 -0.5670 0.2450 0.2450 0.2756 0.2756 0.2886 0.2886 6.6675 6.6675 7.7457 7.7457 8.5989 8.5989 8.6182 8.6182 9.0626 9.0626 9.5546 9.5546 9.7268 9.7268 10.1726 10.1726 10.2283 10.2283 10.7600 10.7600 11.2436 11.2436 12.5430 12.5430 12.8140 12.8140 13.0514 13.0514 13.2547 13.2547 16.0038 16.0038 16.7289 16.7289 16.7606 16.7606 17.0104 17.0104 k = 0.3936-0.2273 0.3214 ( 3098 PWs) bands (ev): -35.3830 -35.3830 -14.3608 -14.3608 -13.8580 -13.8580 -13.8538 -13.8538 -0.5769 -0.5769 -0.5670 -0.5670 0.2449 0.2449 0.2753 0.2753 0.2892 0.2892 6.7343 6.7343 7.7330 7.7330 8.5961 8.5961 8.6130 8.6130 9.0825 9.0825 9.5620 9.5620 9.7296 9.7296 10.1598 10.1598 10.2291 10.2291 10.7581 10.7581 11.2490 11.2490 12.4406 12.4406 12.7892 12.7892 13.0425 13.0425 13.2308 13.2308 15.9905 15.9905 16.6739 16.6739 16.7122 16.7122 17.0033 17.0033 k = 0.4043-0.2334 0.3301 ( 3098 PWs) bands (ev): -35.3830 -35.3830 -14.3608 -14.3608 -13.8581 -13.8581 -13.8538 -13.8538 -0.5771 -0.5771 -0.5671 -0.5671 0.2447 0.2447 0.2751 0.2751 0.2896 0.2896 6.7974 6.7974 7.7215 7.7215 8.5884 8.5884 8.6123 8.6123 9.1032 9.1032 9.5662 9.5662 9.7348 9.7348 10.1471 10.1471 10.2297 10.2297 10.7565 10.7565 11.2551 11.2551 12.3445 12.3445 12.7664 12.7664 13.0345 13.0345 13.2088 13.2088 15.9783 15.9783 16.6237 16.6237 16.6681 16.6681 16.9957 16.9957 k = 0.4149-0.2395 0.3388 ( 3098 PWs) bands (ev): -35.3830 -35.3830 -14.3608 -14.3608 -13.8582 -13.8582 -13.8538 -13.8538 -0.5772 -0.5772 -0.5672 -0.5672 0.2446 0.2446 0.2748 0.2748 0.2900 0.2900 6.8559 6.8559 7.7114 7.7114 8.5785 8.5785 8.6133 8.6133 9.1247 9.1247 9.5672 9.5672 9.7419 9.7419 10.1346 10.1346 10.2302 10.2302 10.7551 10.7551 11.2616 11.2616 12.2555 12.2555 12.7459 12.7459 13.0273 13.0273 13.1888 13.1888 15.9672 15.9672 16.5784 16.5784 16.6284 16.6284 16.9880 16.9880 k = 0.4255-0.2457 0.3474 ( 3106 PWs) bands (ev): -35.3830 -35.3830 -14.3609 -14.3609 -13.8583 -13.8583 -13.8539 -13.8539 -0.5774 -0.5774 -0.5673 -0.5673 0.2444 0.2444 0.2745 0.2745 0.2903 0.2903 6.9094 6.9094 7.7026 7.7026 8.5684 8.5684 8.6148 8.6148 9.1470 9.1470 9.5648 9.5648 9.7503 9.7503 10.1224 10.1224 10.2306 10.2306 10.7539 10.7539 11.2686 11.2686 12.1742 12.1742 12.7275 12.7275 13.0210 13.0210 13.1709 13.1709 15.9572 15.9572 16.5382 16.5382 16.5932 16.5932 16.9805 16.9805 k = 0.4362-0.2518 0.3561 ( 3110 PWs) bands (ev): -35.3830 -35.3830 -14.3609 -14.3609 -13.8583 -13.8583 -13.8539 -13.8539 -0.5776 -0.5776 -0.5673 -0.5673 0.2442 0.2442 0.2743 0.2743 0.2906 0.2906 6.9571 6.9571 7.6951 7.6951 8.5588 8.5588 8.6162 8.6162 9.1697 9.1697 9.5593 9.5593 9.7594 9.7594 10.1109 10.1109 10.2309 10.2309 10.7530 10.7530 11.2759 11.2759 12.1014 12.1014 12.7114 12.7114 13.0156 13.0156 13.1552 13.1552 15.9485 15.9485 16.5031 16.5031 16.5626 16.5626 16.9735 16.9735 k = 0.4468-0.2580 0.3648 ( 3110 PWs) bands (ev): -35.3830 -35.3830 -14.3609 -14.3609 -13.8584 -13.8584 -13.8539 -13.8539 -0.5777 -0.5777 -0.5673 -0.5673 0.2441 0.2441 0.2741 0.2741 0.2909 0.2909 6.9985 6.9985 7.6890 7.6890 8.5502 8.5502 8.6175 8.6175 9.1924 9.1924 9.5511 9.5511 9.7686 9.7686 10.1002 10.1002 10.2311 10.2311 10.7522 10.7522 11.2832 11.2832 12.0378 12.0378 12.6977 12.6977 13.0110 13.0110 13.1417 13.1417 15.9410 15.9410 16.4732 16.4732 16.5366 16.5366 16.9672 16.9672 k = 0.4574-0.2641 0.3735 ( 3102 PWs) bands (ev): -35.3830 -35.3830 -14.3609 -14.3609 -13.8584 -13.8584 -13.8539 -13.8539 -0.5778 -0.5778 -0.5672 -0.5672 0.2440 0.2440 0.2741 0.2741 0.2911 0.2911 7.0330 7.0330 7.6843 7.6843 8.5427 8.5427 8.6186 8.6186 9.2143 9.2143 9.5408 9.5408 9.7774 9.7774 10.0907 10.0907 10.2312 10.2312 10.7516 10.7516 11.2902 11.2902 11.9842 11.9842 12.6864 12.6864 13.0073 13.0073 13.1305 13.1305 15.9348 15.9348 16.4487 16.4487 16.5152 16.5152 16.9617 16.9617 k = 0.4681-0.2702 0.3822 ( 3102 PWs) bands (ev): -35.3830 -35.3830 -14.3609 -14.3609 -13.8585 -13.8585 -13.8540 -13.8540 -0.5778 -0.5778 -0.5672 -0.5672 0.2440 0.2440 0.2740 0.2740 0.2913 0.2913 7.0603 7.0603 7.6807 7.6807 8.5367 8.5367 8.6195 8.6195 9.2344 9.2344 9.5298 9.5298 9.7850 9.7850 10.0827 10.0827 10.2313 10.2313 10.7511 10.7511 11.2965 11.2965 11.9414 11.9414 12.6775 12.6775 13.0043 13.0043 13.1218 13.1218 15.9300 15.9300 16.4296 16.4296 16.4986 16.4986 16.9573 16.9573 k = 0.4787-0.2764 0.3909 ( 3122 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8585 -13.8585 -13.8540 -13.8540 -0.5780 -0.5780 -0.5674 -0.5674 0.2437 0.2437 0.2738 0.2738 0.2913 0.2913 7.0800 7.0800 7.6782 7.6782 8.5323 8.5323 8.6201 8.6201 9.2510 9.2510 9.5196 9.5196 9.7910 9.7910 10.0765 10.0765 10.2314 10.2314 10.7508 10.7508 11.3015 11.3015 11.9100 11.9100 12.6711 12.6711 13.0022 13.0022 13.1155 13.1155 15.9265 15.9265 16.4158 16.4158 16.4866 16.4866 16.9541 16.9541 k = 0.4894-0.2825 0.3996 ( 3130 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8586 -13.8586 -13.8540 -13.8540 -0.5781 -0.5781 -0.5675 -0.5675 0.2436 0.2436 0.2737 0.2737 0.2913 0.2913 7.0919 7.0919 7.6767 7.6767 8.5296 8.5296 8.6205 8.6205 9.2621 9.2621 9.5122 9.5122 9.7948 9.7948 10.0727 10.0727 10.2314 10.2314 10.7506 10.7506 11.3047 11.3047 11.8909 11.8909 12.6673 12.6673 13.0010 13.0010 13.1117 13.1117 15.9244 15.9244 16.4076 16.4076 16.4795 16.4795 16.9521 16.9521 k = 0.5000-0.2887 0.4082 ( 3138 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8586 -13.8586 -13.8540 -13.8540 -0.5781 -0.5781 -0.5677 -0.5677 0.2436 0.2436 0.2735 0.2735 0.2913 0.2913 7.0958 7.0958 7.6762 7.6762 8.5287 8.5287 8.6206 8.6206 9.2661 9.2661 9.5094 9.5094 9.7961 9.7961 10.0714 10.0714 10.2314 10.2314 10.7505 10.7505 11.3059 11.3059 11.8844 11.8844 12.6660 12.6660 13.0006 13.0006 13.1104 13.1104 15.9237 15.9237 16.4048 16.4048 16.4771 16.4771 16.9515 16.9515 k = 0.5000-0.2887 0.4082 ( 3138 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8586 -13.8586 -13.8540 -13.8540 -0.5781 -0.5781 -0.5677 -0.5677 0.2436 0.2436 0.2735 0.2735 0.2913 0.2913 7.0958 7.0958 7.6762 7.6762 8.5287 8.5287 8.6206 8.6206 9.2661 9.2661 9.5094 9.5094 9.7961 9.7961 10.0714 10.0714 10.2314 10.2314 10.7505 10.7505 11.3059 11.3059 11.8844 11.8844 12.6660 12.6660 13.0006 13.0006 13.1104 13.1104 15.9237 15.9237 16.4048 16.4048 16.4771 16.4771 16.9515 16.9515 k = 0.5000-0.2766 0.4168 ( 3138 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8586 -13.8586 -13.8541 -13.8541 -0.5781 -0.5781 -0.5677 -0.5677 0.2436 0.2436 0.2735 0.2735 0.2913 0.2913 7.0961 7.0961 7.6777 7.6777 8.5280 8.5280 8.6213 8.6213 9.2624 9.2624 9.5119 9.5119 9.7958 9.7958 10.0704 10.0704 10.2350 10.2350 10.7502 10.7502 11.3021 11.3021 11.8844 11.8844 12.6489 12.6489 12.9703 12.9703 13.1586 13.1586 15.9256 15.9256 16.4044 16.4044 16.4767 16.4767 16.9509 16.9509 k = 0.5000-0.2646 0.4253 ( 3118 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8586 -13.8586 -13.8540 -13.8540 -0.5778 -0.5778 -0.5676 -0.5676 0.2439 0.2439 0.2736 0.2736 0.2914 0.2914 7.0971 7.0971 7.6820 7.6820 8.5258 8.5258 8.6234 8.6234 9.2519 9.2519 9.5188 9.5188 9.7951 9.7951 10.0678 10.0678 10.2453 10.2453 10.7492 10.7492 11.2907 11.2907 11.8843 11.8843 12.6033 12.6033 12.9266 12.9266 13.2504 13.2504 15.9313 15.9313 16.4033 16.4033 16.4756 16.4756 16.9490 16.9490 k = 0.5000-0.2526 0.4338 ( 3108 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8585 -13.8585 -13.8540 -13.8540 -0.5777 -0.5777 -0.5675 -0.5675 0.2441 0.2441 0.2738 0.2738 0.2914 0.2914 7.0987 7.0987 7.6891 7.6891 8.5223 8.5223 8.6267 8.6267 9.2361 9.2361 9.5283 9.5283 9.7944 9.7944 10.0641 10.0641 10.2615 10.2615 10.7476 10.7476 11.2716 11.2716 11.8842 11.8842 12.5413 12.5413 12.8863 12.8863 13.3572 13.3572 15.9406 15.9406 16.4011 16.4011 16.4740 16.4740 16.9460 16.9460 k = 0.5000-0.2406 0.4423 ( 3104 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8585 -13.8585 -13.8540 -13.8540 -0.5775 -0.5775 -0.5675 -0.5675 0.2443 0.2443 0.2739 0.2739 0.2913 0.2913 7.1009 7.1009 7.6989 7.6989 8.5179 8.5179 8.6309 8.6309 9.2166 9.2166 9.5384 9.5384 9.7943 9.7943 10.0603 10.0603 10.2825 10.2825 10.7454 10.7454 11.2448 11.2448 11.8839 11.8839 12.4737 12.4737 12.8460 12.8460 13.4723 13.4723 15.9530 15.9530 16.3973 16.3973 16.4724 16.4724 16.9417 16.9417 k = 0.5000-0.2285 0.4508 ( 3112 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8585 -13.8585 -13.8541 -13.8541 -0.5775 -0.5775 -0.5676 -0.5676 0.2444 0.2444 0.2740 0.2740 0.2910 0.2910 7.1036 7.1036 7.7115 7.7115 8.5126 8.5126 8.6357 8.6357 9.1948 9.1948 9.5471 9.5471 9.7956 9.7956 10.0566 10.0566 10.3077 10.3077 10.7427 10.7427 11.2104 11.2104 11.8834 11.8834 12.4070 12.4070 12.8027 12.8027 13.5924 13.5924 15.9681 15.9681 16.3915 16.3915 16.4712 16.4712 16.9361 16.9361 k = 0.5000-0.2165 0.4593 ( 3116 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8585 -13.8585 -13.8541 -13.8541 -0.5774 -0.5774 -0.5676 -0.5676 0.2445 0.2445 0.2741 0.2741 0.2908 0.2908 7.1069 7.1069 7.7267 7.7267 8.5067 8.5067 8.6409 8.6409 9.1719 9.1719 9.5528 9.5528 9.7990 9.7990 10.0534 10.0534 10.3362 10.3362 10.7396 10.7396 11.1687 11.1687 11.8828 11.8828 12.3451 12.3451 12.7552 12.7552 13.7158 13.7158 15.9856 15.9856 16.3831 16.3831 16.4708 16.4708 16.9293 16.9293 k = 0.5000-0.2045 0.4678 ( 3114 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8584 -13.8584 -13.8542 -13.8542 -0.5772 -0.5772 -0.5677 -0.5677 0.2448 0.2448 0.2743 0.2743 0.2906 0.2906 7.1106 7.1106 7.7444 7.7444 8.5005 8.5005 8.6464 8.6464 9.1487 9.1487 9.5547 9.5547 9.8051 9.8051 10.0508 10.0508 10.3675 10.3675 10.7361 10.7361 11.1203 11.1203 11.8819 11.8819 12.2896 12.2896 12.7031 12.7031 13.8412 13.8412 16.0048 16.0048 16.3718 16.3718 16.4715 16.4715 16.9212 16.9212 k = 0.5000-0.1925 0.4763 ( 3126 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8584 -13.8584 -13.8543 -13.8543 -0.5771 -0.5771 -0.5678 -0.5678 0.2449 0.2449 0.2744 0.2744 0.2903 0.2903 7.1148 7.1148 7.7644 7.7644 8.4938 8.4938 8.6520 8.6520 9.1259 9.1259 9.5522 9.5522 9.8137 9.8137 10.0488 10.0488 10.4011 10.4011 10.7324 10.7324 11.0664 11.0664 11.8806 11.8806 12.2412 12.2412 12.6466 12.6466 13.9675 13.9675 16.0254 16.0254 16.3574 16.3574 16.4732 16.4732 16.9120 16.9120 k = 0.5000-0.1804 0.4848 ( 3126 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8583 -13.8583 -13.8544 -13.8544 -0.5768 -0.5768 -0.5679 -0.5679 0.2451 0.2451 0.2746 0.2746 0.2900 0.2900 7.1194 7.1194 7.7866 7.7866 8.4870 8.4870 8.6575 8.6575 9.1040 9.1040 9.5455 9.5455 9.8248 9.8248 10.0473 10.0473 10.4364 10.4364 10.7287 10.7287 11.0083 11.0083 11.8790 11.8790 12.1999 12.1999 12.5865 12.5865 14.0941 14.0941 16.0470 16.0470 16.3399 16.3399 16.4759 16.4759 16.9016 16.9016 k = 0.5000-0.1684 0.4933 ( 3124 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8583 -13.8583 -13.8544 -13.8544 -0.5765 -0.5765 -0.5680 -0.5680 0.2454 0.2454 0.2748 0.2748 0.2898 0.2898 7.1243 7.1243 7.8108 7.8108 8.4799 8.4799 8.6627 8.6627 9.0836 9.0836 9.5348 9.5348 9.8376 9.8376 10.0461 10.0461 10.4726 10.4726 10.7249 10.7249 10.9480 10.9480 11.8768 11.8768 12.1654 12.1654 12.5232 12.5232 14.2202 14.2202 16.0690 16.0690 16.3194 16.3194 16.4794 16.4794 16.8902 16.8902 k = 0.5000-0.1564 0.5018 ( 3124 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8582 -13.8582 -13.8545 -13.8545 -0.5762 -0.5762 -0.5682 -0.5682 0.2457 0.2457 0.2751 0.2751 0.2895 0.2895 7.1294 7.1294 7.8367 7.8367 8.4726 8.4726 8.6676 8.6676 9.0652 9.0652 9.5206 9.5206 9.8515 9.8515 10.0452 10.0452 10.5086 10.5086 10.7205 10.7205 10.8887 10.8887 11.8740 11.8740 12.1368 12.1368 12.4576 12.4576 14.3452 14.3452 16.0913 16.0913 16.2959 16.2959 16.4834 16.4834 16.8780 16.8780 k = 0.5000-0.1443 0.5103 ( 3128 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8582 -13.8582 -13.8546 -13.8546 -0.5759 -0.5759 -0.5683 -0.5683 0.2460 0.2460 0.2753 0.2753 0.2891 0.2891 7.1347 7.1347 7.8640 7.8640 8.4652 8.4652 8.6720 8.6720 9.0491 9.0491 9.5034 9.5034 9.8659 9.8659 10.0444 10.0444 10.5426 10.5426 10.7125 10.7125 10.8364 10.8364 11.8704 11.8704 12.1135 12.1135 12.3904 12.3904 14.4685 14.4685 16.1134 16.1134 16.2694 16.2694 16.4878 16.4878 16.8650 16.8650 k = 0.5000-0.1323 0.5188 ( 3118 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8581 -13.8581 -13.8547 -13.8547 -0.5755 -0.5755 -0.5683 -0.5683 0.2464 0.2464 0.2758 0.2758 0.2888 0.2888 7.1400 7.1400 7.8925 7.8925 8.4577 8.4577 8.6758 8.6758 9.0359 9.0359 9.4835 9.4835 9.8804 9.8804 10.0435 10.0435 10.5717 10.5717 10.6922 10.6922 10.8044 10.8044 11.8658 11.8658 12.0947 12.0947 12.3225 12.3225 14.5897 14.5897 16.1353 16.1353 16.2398 16.2398 16.4924 16.4924 16.8514 16.8514 k = 0.5000-0.1203 0.5273 ( 3118 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8580 -13.8580 -13.8548 -13.8548 -0.5752 -0.5752 -0.5685 -0.5685 0.2467 0.2467 0.2761 0.2761 0.2884 0.2884 7.1453 7.1453 7.9218 7.9218 8.4500 8.4500 8.6788 8.6788 9.0260 9.0260 9.4611 9.4611 9.8945 9.8945 10.0424 10.0424 10.5910 10.5910 10.6554 10.6554 10.8026 10.8026 11.8599 11.8599 12.0796 12.0796 12.2549 12.2549 14.7082 14.7082 16.1564 16.1564 16.2072 16.2072 16.4971 16.4971 16.8374 16.8374 k = 0.5000-0.1083 0.5358 ( 3118 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8579 -13.8579 -13.8548 -13.8548 -0.5749 -0.5749 -0.5686 -0.5686 0.2470 0.2470 0.2765 0.2765 0.2880 0.2880 7.1505 7.1505 7.9514 7.9514 8.4422 8.4422 8.6810 8.6810 9.0198 9.0198 9.4363 9.4363 9.9080 9.9080 10.0409 10.0409 10.5832 10.5832 10.6287 10.6287 10.8230 10.8230 11.8520 11.8520 12.0676 12.0676 12.1889 12.1889 14.8236 14.8236 16.1681 16.1681 16.1801 16.1801 16.5017 16.5017 16.8232 16.8232 k = 0.5000-0.0962 0.5443 ( 3118 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8578 -13.8578 -13.8549 -13.8549 -0.5745 -0.5745 -0.5687 -0.5687 0.2472 0.2472 0.2769 0.2769 0.2876 0.2876 7.1555 7.1555 7.9808 7.9808 8.4343 8.4343 8.6823 8.6823 9.0177 9.0177 9.4093 9.4093 9.9207 9.9207 10.0389 10.0389 10.5421 10.5421 10.6282 10.6282 10.8565 10.8565 11.8411 11.8411 12.0580 12.0580 12.1264 12.1264 14.9355 14.9355 16.1309 16.1309 16.1976 16.1976 16.5061 16.5061 16.8091 16.8091 k = 0.5000-0.0842 0.5528 ( 3120 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8578 -13.8578 -13.8550 -13.8550 -0.5742 -0.5742 -0.5689 -0.5689 0.2474 0.2474 0.2772 0.2772 0.2872 0.2872 7.1601 7.1601 8.0095 8.0095 8.4263 8.4263 8.6827 8.6827 9.0198 9.0198 9.3803 9.3803 9.9325 9.9325 10.0363 10.0363 10.4978 10.4978 10.6298 10.6298 10.8977 10.8977 11.8255 11.8255 12.0501 12.0501 12.0702 12.0702 15.0436 15.0436 16.0881 16.0881 16.2158 16.2158 16.5103 16.5103 16.7954 16.7954 k = 0.5000-0.0722 0.5613 ( 3120 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8577 -13.8577 -13.8551 -13.8551 -0.5739 -0.5739 -0.5691 -0.5691 0.2476 0.2476 0.2776 0.2776 0.2868 0.2868 7.1644 7.1644 8.0369 8.0369 8.4184 8.4184 8.6824 8.6824 9.0265 9.0265 9.3495 9.3495 9.9433 9.9433 10.0329 10.0329 10.4575 10.4575 10.6300 10.6300 10.9431 10.9431 11.8030 11.8030 12.0210 12.0210 12.0457 12.0457 15.1477 15.1477 16.0416 16.0416 16.2328 16.2328 16.5141 16.5141 16.7824 16.7824 k = 0.5000-0.0601 0.5698 ( 3116 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8576 -13.8576 -13.8552 -13.8552 -0.5736 -0.5736 -0.5692 -0.5692 0.2479 0.2479 0.2779 0.2779 0.2865 0.2865 7.1681 7.1681 8.0622 8.0622 8.4107 8.4107 8.6816 8.6816 9.0375 9.0375 9.3172 9.3172 9.9531 9.9531 10.0288 10.0288 10.4229 10.4229 10.6291 10.6291 10.9902 10.9902 11.7722 11.7722 11.9850 11.9850 12.0410 12.0410 15.2474 15.2474 15.9912 15.9912 16.2480 16.2480 16.5174 16.5174 16.7704 16.7704 k = 0.5000-0.0481 0.5784 ( 3120 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8576 -13.8576 -13.8552 -13.8552 -0.5734 -0.5734 -0.5694 -0.5694 0.2480 0.2480 0.2782 0.2782 0.2862 0.2862 7.1713 7.1713 8.0848 8.0848 8.4034 8.4034 8.6805 8.6805 9.0529 9.0529 9.2838 9.2838 9.9619 9.9619 10.0242 10.0242 10.3946 10.3946 10.6278 10.6278 11.0367 11.0367 11.7345 11.7345 11.9603 11.9603 12.0376 12.0376 15.3426 15.3426 15.9369 15.9369 16.2611 16.2611 16.5202 16.5202 16.7599 16.7599 k = 0.5000-0.0361 0.5869 ( 3120 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8575 -13.8575 -13.8553 -13.8553 -0.5731 -0.5731 -0.5696 -0.5696 0.2481 0.2481 0.2785 0.2785 0.2859 0.2859 7.1739 7.1739 8.1037 8.1037 8.3969 8.3969 8.6793 8.6793 9.0724 9.0724 9.2499 9.2499 9.9697 9.9697 10.0192 10.0192 10.3729 10.3729 10.6264 10.6264 11.0799 11.0799 11.6947 11.6947 11.9447 11.9447 12.0352 12.0352 15.4331 15.4331 15.8784 15.8784 16.2718 16.2718 16.5224 16.5224 16.7511 16.7511 k = 0.5000-0.0241 0.5954 ( 3126 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8575 -13.8575 -13.8554 -13.8554 -0.5730 -0.5730 -0.5697 -0.5697 0.2481 0.2481 0.2787 0.2787 0.2856 0.2856 7.1757 7.1757 8.1181 8.1181 8.3917 8.3917 8.6783 8.6783 9.0956 9.0956 9.2161 9.2161 9.9763 9.9763 10.0144 10.0144 10.3576 10.3576 10.6253 10.6253 11.1164 11.1164 11.6589 11.6589 11.9354 11.9354 12.0336 12.0336 15.5189 15.5189 15.8157 15.8157 16.2797 16.2797 16.5241 16.5241 16.7446 16.7446 k = 0.5000-0.0120 0.6039 ( 3112 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8575 -13.8575 -13.8553 -13.8553 -0.5727 -0.5727 -0.5697 -0.5697 0.2483 0.2483 0.2789 0.2789 0.2856 0.2856 7.1769 7.1769 8.1272 8.1272 8.3883 8.3883 8.6776 8.6776 9.1222 9.1222 9.1832 9.1832 9.9812 9.9812 10.0104 10.0104 10.3485 10.3485 10.6245 10.6245 11.1416 11.1416 11.6335 11.6335 11.9305 11.9305 12.0327 12.0327 15.6000 15.6000 15.7486 15.7486 16.2847 16.2847 16.5250 16.5250 16.7405 16.7405 k = 0.5000-0.0000 0.6124 ( 3112 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8575 -13.8575 -13.8553 -13.8553 -0.5727 -0.5727 -0.5698 -0.5698 0.2483 0.2483 0.2789 0.2789 0.2856 0.2856 7.1773 7.1773 8.1303 8.1303 8.3871 8.3871 8.6774 8.6774 9.1491 9.1491 9.1541 9.1541 9.9831 9.9831 10.0088 10.0088 10.3455 10.3455 10.6243 10.6243 11.1507 11.1507 11.6242 11.6242 11.9290 11.9290 12.0324 12.0324 15.6708 15.6708 15.6824 15.6824 16.2863 16.2863 16.5254 16.5254 16.7391 16.7391 k = 0.5000-0.0000 0.6124 ( 3112 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8575 -13.8575 -13.8553 -13.8553 -0.5727 -0.5727 -0.5698 -0.5698 0.2483 0.2483 0.2789 0.2789 0.2856 0.2856 7.1773 7.1773 8.1303 8.1303 8.3871 8.3871 8.6774 8.6774 9.1491 9.1491 9.1541 9.1541 9.9831 9.9831 10.0088 10.0088 10.3455 10.3455 10.6243 10.6243 11.1507 11.1507 11.6242 11.6242 11.9290 11.9290 12.0324 12.0324 15.6708 15.6708 15.6824 15.6824 16.2863 16.2863 16.5254 16.5254 16.7391 16.7391 k = 0.4926 0.0127 0.6124 ( 3112 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8575 -13.8575 -13.8553 -13.8553 -0.5727 -0.5727 -0.5697 -0.5697 0.2483 0.2483 0.2789 0.2789 0.2856 0.2856 7.1765 7.1765 8.1293 8.1293 8.3879 8.3879 8.6775 8.6775 9.1292 9.1292 9.1751 9.1751 9.9810 9.9810 10.0096 10.0096 10.3468 10.3468 10.6240 10.6240 11.1449 11.1449 11.6157 11.6157 11.9355 11.9355 12.0447 12.0447 15.6222 15.6222 15.7287 15.7287 16.2866 16.2866 16.5255 16.5255 16.7402 16.7402 k = 0.4853 0.0255 0.6124 ( 3123 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8575 -13.8575 -13.8554 -13.8554 -0.5729 -0.5729 -0.5698 -0.5698 0.2482 0.2482 0.2787 0.2787 0.2855 0.2855 7.1741 7.1741 8.1266 8.1266 8.3901 8.3901 8.6781 8.6781 9.1083 9.1083 9.1990 9.1990 9.9756 9.9756 10.0111 10.0111 10.3507 10.3507 10.6232 10.6232 11.1305 11.1305 11.5893 11.5893 11.9451 11.9451 12.0889 12.0889 15.5644 15.5644 15.7794 15.7794 16.2879 16.2879 16.5255 16.5255 16.7432 16.7432 k = 0.4779 0.0382 0.6124 ( 3115 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8575 -13.8575 -13.8553 -13.8553 -0.5729 -0.5729 -0.5696 -0.5696 0.2483 0.2483 0.2787 0.2787 0.2857 0.2857 7.1707 7.1707 8.1226 8.1226 8.3933 8.3933 8.6790 8.6790 9.0889 9.0889 9.2235 9.2235 9.9675 9.9675 10.0127 10.0127 10.3574 10.3574 10.6219 10.6219 11.1113 11.1113 11.5503 11.5503 11.9492 11.9492 12.1647 12.1647 15.5023 15.5023 15.8291 15.8291 16.2907 16.2907 16.5253 16.5253 16.7476 16.7476 k = 0.4706 0.0509 0.6124 ( 3113 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8575 -13.8575 -13.8553 -13.8553 -0.5730 -0.5730 -0.5695 -0.5695 0.2483 0.2483 0.2786 0.2786 0.2859 0.2859 7.1662 7.1662 8.1176 8.1176 8.3972 8.3972 8.6803 8.6803 9.0712 9.0712 9.2482 9.2482 9.9570 9.9570 10.0138 10.0138 10.3668 10.3668 10.6200 10.6200 11.0900 11.0900 11.5042 11.5042 11.9495 11.9495 12.2616 12.2616 15.4359 15.4359 15.8777 15.8777 16.2953 16.2953 16.5247 16.5247 16.7528 16.7528 k = 0.4632 0.0637 0.6124 ( 3113 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8576 -13.8576 -13.8552 -13.8552 -0.5731 -0.5731 -0.5694 -0.5694 0.2482 0.2482 0.2784 0.2784 0.2861 0.2861 7.1611 7.1611 8.1121 8.1121 8.4014 8.4014 8.6820 8.6820 9.0552 9.0552 9.2730 9.2730 9.9441 9.9441 10.0145 10.0145 10.3788 10.3788 10.6177 10.6177 11.0683 11.0683 11.4547 11.4547 11.9485 11.9485 12.3714 12.3714 15.3649 15.3649 15.9251 15.9251 16.3021 16.3021 16.5233 16.5233 16.7583 16.7583 k = 0.4559 0.0764 0.6124 ( 3117 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8576 -13.8576 -13.8552 -13.8552 -0.5732 -0.5732 -0.5693 -0.5693 0.2482 0.2482 0.2780 0.2780 0.2863 0.2863 7.1554 7.1554 8.1062 8.1062 8.4057 8.4057 8.6842 8.6842 9.0410 9.0410 9.2978 9.2978 9.9286 9.9286 10.0149 10.0149 10.3935 10.3935 10.6150 10.6150 11.0474 11.0474 11.4038 11.4038 11.9468 11.9468 12.4898 12.4898 15.2894 15.2894 15.9712 15.9712 16.3112 16.3112 16.5211 16.5211 16.7637 16.7637 k = 0.4485 0.0891 0.6124 ( 3117 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8577 -13.8577 -13.8551 -13.8551 -0.5734 -0.5734 -0.5692 -0.5692 0.2482 0.2482 0.2778 0.2778 0.2866 0.2866 7.1496 7.1496 8.1003 8.1003 8.4098 8.4098 8.6867 8.6867 9.0285 9.0285 9.3225 9.3225 9.9106 9.9106 10.0151 10.0151 10.4107 10.4107 10.6123 10.6123 11.0279 11.0279 11.3527 11.3527 11.9451 11.9451 12.6138 12.6138 15.2094 15.2094 16.0158 16.0158 16.3225 16.3225 16.5178 16.5178 16.7687 16.7687 k = 0.4412 0.1019 0.6124 ( 3122 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8577 -13.8577 -13.8551 -13.8551 -0.5735 -0.5735 -0.5692 -0.5692 0.2481 0.2481 0.2775 0.2775 0.2868 0.2868 7.1436 7.1436 8.0945 8.0945 8.4135 8.4135 8.6895 8.6895 9.0179 9.0179 9.3472 9.3472 9.8903 9.8903 10.0151 10.0151 10.4299 10.4299 10.6097 10.6097 11.0104 11.0104 11.3020 11.3020 11.9435 11.9435 12.7416 12.7416 15.1250 15.1250 16.0588 16.0588 16.3358 16.3358 16.5134 16.5134 16.7728 16.7728 k = 0.4338 0.1146 0.6124 ( 3129 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8578 -13.8578 -13.8550 -13.8550 -0.5737 -0.5737 -0.5691 -0.5691 0.2480 0.2480 0.2772 0.2772 0.2869 0.2869 7.1378 7.1378 8.0890 8.0890 8.4166 8.4166 8.6926 8.6926 9.0090 9.0090 9.3717 9.3717 9.8678 9.8678 10.0151 10.0151 10.4508 10.4508 10.6079 10.6079 10.9947 10.9947 11.2522 11.2522 11.9420 11.9420 12.8715 12.8715 15.0365 15.0365 16.1000 16.1000 16.3510 16.3510 16.5076 16.5076 16.7758 16.7758 k = 0.4265 0.1274 0.6124 ( 3127 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8578 -13.8578 -13.8550 -13.8550 -0.5738 -0.5738 -0.5690 -0.5690 0.2480 0.2480 0.2770 0.2770 0.2872 0.2872 7.1323 7.1323 8.0840 8.0840 8.4192 8.4192 8.6958 8.6958 9.0018 9.0018 9.3960 9.3960 9.8437 9.8437 10.0149 10.0149 10.4723 10.4723 10.6076 10.6076 10.9810 10.9810 11.2041 11.2041 11.9406 11.9406 13.0022 13.0022 14.9444 14.9444 16.1393 16.1393 16.3676 16.3676 16.5005 16.5005 16.7776 16.7776 k = 0.4191 0.1401 0.6124 ( 3127 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8578 -13.8578 -13.8549 -13.8549 -0.5739 -0.5739 -0.5689 -0.5689 0.2480 0.2480 0.2768 0.2768 0.2874 0.2874 7.1273 7.1273 8.0794 8.0794 8.4212 8.4212 8.6990 8.6990 8.9960 8.9960 9.4202 9.4202 9.8184 9.8184 10.0148 10.0148 10.4933 10.4933 10.6096 10.6096 10.9690 10.9690 11.1581 11.1581 11.9394 11.9394 13.1320 13.1320 14.8494 14.8494 16.1763 16.1763 16.3851 16.3851 16.4919 16.4919 16.7779 16.7779 k = 0.4118 0.1528 0.6124 ( 3128 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8579 -13.8579 -13.8549 -13.8549 -0.5740 -0.5740 -0.5688 -0.5688 0.2480 0.2480 0.2766 0.2766 0.2876 0.2876 7.1228 7.1228 8.0755 8.0755 8.4227 8.4227 8.7021 8.7021 8.9916 8.9916 9.4439 9.4439 9.7925 9.7925 10.0146 10.0146 10.5117 10.5117 10.6154 10.6154 10.9582 10.9582 11.1152 11.1152 11.9385 11.9385 13.2590 13.2590 14.7528 14.7528 16.2109 16.2109 16.4025 16.4025 16.4821 16.4821 16.7768 16.7768 k = 0.4044 0.1656 0.6124 ( 3120 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8579 -13.8579 -13.8548 -13.8548 -0.5740 -0.5740 -0.5687 -0.5687 0.2480 0.2480 0.2766 0.2766 0.2877 0.2877 7.1190 7.1190 8.0722 8.0722 8.4238 8.4238 8.7048 8.7048 8.9883 8.9883 9.4669 9.4669 9.7670 9.7670 10.0145 10.0145 10.5258 10.5258 10.6261 10.6261 10.9481 10.9481 11.0767 11.0767 11.9377 11.9377 13.3806 13.3806 14.6568 14.6568 16.2425 16.2425 16.4189 16.4189 16.4714 16.4714 16.7747 16.7747 k = 0.3971 0.1783 0.6124 ( 3120 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8579 -13.8579 -13.8548 -13.8548 -0.5741 -0.5741 -0.5686 -0.5686 0.2480 0.2480 0.2765 0.2765 0.2879 0.2879 7.1160 7.1160 8.0696 8.0696 8.4244 8.4244 8.7071 8.7071 8.9860 8.9860 9.4884 9.4884 9.7430 9.7430 10.0144 10.0144 10.5349 10.5349 10.6409 10.6409 10.9381 10.9381 11.0445 11.0445 11.9370 11.9370 13.4927 13.4927 14.5651 14.5651 16.2705 16.2705 16.4324 16.4324 16.4610 16.4610 16.7719 16.7719 k = 0.3897 0.1910 0.6124 ( 3112 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8579 -13.8579 -13.8547 -13.8547 -0.5741 -0.5741 -0.5685 -0.5685 0.2481 0.2481 0.2764 0.2764 0.2881 0.2881 7.1137 7.1137 8.0678 8.0678 8.4249 8.4249 8.7089 8.7089 8.9845 8.9845 9.5069 9.5069 9.7224 9.7224 10.0143 10.0143 10.5399 10.5399 10.6567 10.6567 10.9279 10.9279 11.0208 11.0208 11.9366 11.9366 13.5883 13.5883 14.4843 14.4843 16.2937 16.2937 16.4378 16.4378 16.4560 16.4560 16.7691 16.7691 k = 0.3824 0.2038 0.6124 ( 3110 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8579 -13.8579 -13.8547 -13.8547 -0.5741 -0.5741 -0.5685 -0.5685 0.2481 0.2481 0.2764 0.2764 0.2881 0.2881 7.1124 7.1124 8.0666 8.0666 8.4251 8.4251 8.7099 8.7099 8.9836 8.9836 9.5201 9.5201 9.7079 9.7079 10.0142 10.0142 10.5423 10.5423 10.6691 10.6691 10.9194 10.9194 11.0068 11.0068 11.9363 11.9363 13.6560 13.6560 14.4255 14.4255 16.3100 16.3100 16.4332 16.4332 16.4592 16.4592 16.7670 16.7670 k = 0.3750 0.2165 0.6124 ( 3108 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8579 -13.8579 -13.8547 -13.8547 -0.5741 -0.5741 -0.5684 -0.5684 0.2481 0.2481 0.2764 0.2764 0.2882 0.2882 7.1119 7.1119 8.0663 8.0663 8.4251 8.4251 8.7103 8.7103 8.9834 8.9834 9.5250 9.5250 9.7025 9.7025 10.0142 10.0142 10.5430 10.5430 10.6739 10.6739 10.9159 10.9159 11.0022 11.0022 11.9363 11.9363 13.6811 13.6811 14.4034 14.4034 16.3160 16.3160 16.4303 16.4303 16.4611 16.4611 16.7662 16.7662 k = 0.3750 0.2165 0.6124 ( 3108 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8579 -13.8579 -13.8547 -13.8547 -0.5741 -0.5741 -0.5684 -0.5684 0.2481 0.2481 0.2764 0.2764 0.2882 0.2882 7.1119 7.1119 8.0663 8.0663 8.4251 8.4251 8.7103 8.7103 8.9834 8.9834 9.5250 9.5250 9.7025 9.7025 10.0142 10.0142 10.5430 10.5430 10.6739 10.6739 10.9159 10.9159 11.0022 11.0022 11.9363 11.9363 13.6811 13.6811 14.4034 14.4034 16.3160 16.3160 16.4303 16.4303 16.4611 16.4611 16.7662 16.7662 k = 0.3675 0.2122 0.6001 ( 3112 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8579 -13.8579 -13.8547 -13.8547 -0.5738 -0.5738 -0.5685 -0.5685 0.2484 0.2484 0.2766 0.2766 0.2879 0.2879 7.1032 7.1032 8.1103 8.1103 8.4184 8.4184 8.7144 8.7144 8.9775 8.9775 9.5014 9.5014 9.6907 9.6907 10.0095 10.0095 10.5209 10.5209 10.6488 10.6488 10.8413 10.8413 11.0495 11.0495 11.9407 11.9407 13.7503 13.7503 14.4739 14.4739 16.3014 16.3014 16.4395 16.4395 16.5223 16.5223 16.7465 16.7465 k = 0.3600 0.2078 0.5879 ( 3112 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8579 -13.8579 -13.8547 -13.8547 -0.5735 -0.5735 -0.5686 -0.5686 0.2487 0.2487 0.2767 0.2767 0.2877 0.2877 7.0916 7.0916 8.1555 8.1555 8.4118 8.4118 8.7176 8.7176 8.9741 8.9741 9.4739 9.4739 9.6782 9.6782 10.0049 10.0049 10.4934 10.4934 10.6286 10.6286 10.7726 10.7726 11.1032 11.1032 11.9457 11.9457 13.8196 13.8196 14.5457 14.5457 16.2850 16.2850 16.4501 16.4501 16.5879 16.5879 16.7267 16.7267 k = 0.3525 0.2035 0.5756 ( 3118 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8578 -13.8578 -13.8547 -13.8547 -0.5733 -0.5733 -0.5687 -0.5687 0.2490 0.2490 0.2769 0.2769 0.2874 0.2874 7.0765 7.0765 8.2015 8.2015 8.4054 8.4054 8.7198 8.7198 8.9735 8.9735 9.4425 9.4425 9.6651 9.6651 10.0008 10.0008 10.4633 10.4633 10.6122 10.6122 10.7120 10.7120 11.1596 11.1596 11.9513 11.9513 13.8888 13.8888 14.6192 14.6192 16.2668 16.2668 16.4634 16.4634 16.6563 16.6563 16.7070 16.7070 k = 0.3450 0.1992 0.5634 ( 3120 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8578 -13.8578 -13.8547 -13.8547 -0.5730 -0.5730 -0.5688 -0.5688 0.2492 0.2492 0.2770 0.2770 0.2872 0.2872 7.0579 7.0579 8.2476 8.2476 8.3989 8.3989 8.7211 8.7211 8.9756 8.9756 9.4082 9.4082 9.6516 9.6516 9.9973 9.9973 10.4332 10.4332 10.5973 10.5973 10.6605 10.6605 11.2175 11.2175 11.9575 11.9575 13.9580 13.9580 14.6946 14.6946 16.2470 16.2470 16.4796 16.4796 16.6867 16.6867 16.7283 16.7283 k = 0.3375 0.1949 0.5511 ( 3120 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8578 -13.8578 -13.8547 -13.8547 -0.5727 -0.5727 -0.5688 -0.5688 0.2495 0.2495 0.2771 0.2771 0.2870 0.2870 7.0352 7.0352 8.2932 8.2932 8.3924 8.3924 8.7215 8.7215 8.9805 8.9805 9.3719 9.3719 9.6381 9.6381 9.9949 9.9949 10.4049 10.4049 10.5781 10.5781 10.6220 10.6220 11.2763 11.2763 11.9644 11.9644 14.0269 14.0269 14.7723 14.7723 16.2254 16.2254 16.4985 16.4985 16.6679 16.6679 16.8018 16.8018 k = 0.3300 0.1905 0.5389 ( 3122 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8578 -13.8578 -13.8547 -13.8547 -0.5725 -0.5725 -0.5689 -0.5689 0.2496 0.2496 0.2772 0.2772 0.2869 0.2869 7.0083 7.0083 8.3367 8.3367 8.3862 8.3862 8.7210 8.7210 8.9881 8.9881 9.3352 9.3352 9.6246 9.6246 9.9935 9.9935 10.3794 10.3794 10.5478 10.5478 10.6023 10.6023 11.3354 11.3354 11.9721 11.9721 14.0955 14.0955 14.8524 14.8524 16.2022 16.2022 16.5199 16.5199 16.6500 16.6500 16.8777 16.8777 k = 0.3225 0.1862 0.5266 ( 3120 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8578 -13.8578 -13.8546 -13.8546 -0.5722 -0.5722 -0.5689 -0.5689 0.2499 0.2499 0.2773 0.2773 0.2868 0.2868 6.9769 6.9769 8.3673 8.3673 8.3903 8.3903 8.7198 8.7198 8.9979 8.9979 9.3003 9.3003 9.6115 9.6115 9.9935 9.9935 10.3572 10.3572 10.5132 10.5132 10.5936 10.5936 11.3946 11.3946 11.9808 11.9808 14.1638 14.1638 14.9354 14.9354 16.1772 16.1772 16.5422 16.5422 16.6347 16.6347 16.9556 16.9556 k = 0.3150 0.1819 0.5144 ( 3120 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8578 -13.8578 -13.8546 -13.8546 -0.5721 -0.5721 -0.5689 -0.5689 0.2500 0.2500 0.2774 0.2774 0.2867 0.2867 6.9410 6.9410 8.3645 8.3645 8.4241 8.4241 8.7181 8.7181 9.0086 9.0086 9.2701 9.2701 9.5989 9.5989 9.9949 9.9949 10.3381 10.3381 10.4804 10.4804 10.5892 10.5892 11.4536 11.4536 11.9908 11.9908 14.2317 14.2317 15.0212 15.0212 16.1505 16.1505 16.5607 16.5607 16.6272 16.6272 17.0353 17.0353 k = 0.3075 0.1775 0.5021 ( 3112 PWs) bands (ev): -35.3830 -35.3830 -14.3609 -14.3609 -13.8577 -13.8577 -13.8545 -13.8545 -0.5719 -0.5719 -0.5688 -0.5688 0.2502 0.2502 0.2775 0.2775 0.2867 0.2867 6.9003 6.9003 8.3555 8.3555 8.4591 8.4591 8.7160 8.7160 9.0179 9.0179 9.2481 9.2481 9.5870 9.5870 9.9975 9.9975 10.3219 10.3219 10.4509 10.4509 10.5875 10.5875 11.5120 11.5120 12.0022 12.0022 14.2994 14.2994 15.1100 15.1100 16.1219 16.1219 16.5644 16.5644 16.6384 16.6384 17.1165 17.1165 k = 0.3000 0.1732 0.4899 ( 3120 PWs) bands (ev): -35.3830 -35.3830 -14.3609 -14.3609 -13.8577 -13.8577 -13.8544 -13.8544 -0.5719 -0.5719 -0.5688 -0.5688 0.2503 0.2503 0.2774 0.2774 0.2865 0.2865 6.8549 6.8549 8.3451 8.3451 8.4900 8.4900 8.7139 8.7139 9.0222 9.0222 9.2391 9.2391 9.5762 9.5762 10.0014 10.0014 10.3081 10.3081 10.4252 10.4252 10.5878 10.5878 11.5696 11.5696 12.0155 12.0155 14.3666 14.3666 15.2020 15.2020 16.0916 16.0916 16.5546 16.5546 16.6672 16.6672 17.1988 17.1988 k = 0.2925 0.1689 0.4777 ( 3124 PWs) bands (ev): -35.3830 -35.3830 -14.3609 -14.3609 -13.8577 -13.8577 -13.8543 -13.8543 -0.5719 -0.5719 -0.5688 -0.5688 0.2503 0.2503 0.2774 0.2774 0.2863 0.2863 6.8050 6.8050 8.3337 8.3337 8.5155 8.5155 8.7119 8.7119 9.0185 9.0185 9.2462 9.2462 9.5669 9.5669 10.0066 10.0066 10.2963 10.2963 10.4039 10.4039 10.5898 10.5898 11.6259 11.6259 12.0312 12.0312 14.4335 14.4335 15.2971 15.2971 16.0595 16.0595 16.5404 16.5404 16.7046 16.7046 17.2821 17.2821 k = 0.2850 0.1645 0.4654 ( 3124 PWs) bands (ev): -35.3831 -35.3831 -14.3609 -14.3609 -13.8577 -13.8577 -13.8542 -13.8542 -0.5719 -0.5719 -0.5687 -0.5687 0.2504 0.2504 0.2774 0.2774 0.2862 0.2862 6.7507 6.7507 8.3216 8.3216 8.5352 8.5352 8.7102 8.7102 9.0076 9.0076 9.2680 9.2680 9.5598 9.5598 10.0128 10.0128 10.2857 10.2857 10.3874 10.3874 10.5935 10.5935 11.6804 11.6804 12.0500 12.0500 14.5000 14.5000 15.3953 15.3953 16.0256 16.0256 16.5251 16.5251 16.7472 16.7472 17.3658 17.3658 k = 0.2775 0.1602 0.4532 ( 3120 PWs) bands (ev): -35.3831 -35.3831 -14.3609 -14.3609 -13.8576 -13.8576 -13.8541 -13.8541 -0.5718 -0.5718 -0.5686 -0.5686 0.2504 0.2504 0.2774 0.2774 0.2862 0.2862 6.6924 6.6924 8.3092 8.3092 8.5491 8.5491 8.7087 8.7087 8.9923 8.9923 9.2999 9.2999 9.5564 9.5564 10.0201 10.0201 10.2759 10.2759 10.3762 10.3762 10.5986 10.5986 11.7324 11.7324 12.0727 12.0727 14.5663 14.5663 15.4965 15.4965 15.9900 15.9900 16.5099 16.5099 16.7942 16.7942 17.4495 17.4495 k = 0.2700 0.1559 0.4409 ( 3116 PWs) bands (ev): -35.3831 -35.3831 -14.3608 -14.3608 -13.8576 -13.8576 -13.8540 -13.8540 -0.5718 -0.5718 -0.5684 -0.5684 0.2505 0.2505 0.2774 0.2774 0.2861 0.2861 6.6303 6.6303 8.2967 8.2967 8.5574 8.5574 8.7075 8.7075 8.9752 8.9752 9.3353 9.3353 9.5597 9.5597 10.0282 10.0282 10.2666 10.2666 10.3705 10.3705 10.6052 10.6052 11.7813 11.7813 12.1004 12.1004 14.6322 14.6322 15.6004 15.6004 15.9529 15.9529 16.4951 16.4951 16.8449 16.8449 17.5320 17.5320 k = 0.2625 0.1516 0.4287 ( 3118 PWs) bands (ev): -35.3831 -35.3831 -14.3608 -14.3608 -13.8575 -13.8575 -13.8539 -13.8539 -0.5719 -0.5719 -0.5684 -0.5684 0.2504 0.2504 0.2773 0.2773 0.2859 0.2859 6.5648 6.5648 8.2845 8.2845 8.5609 8.5609 8.7063 8.7063 8.9581 8.9581 9.3668 9.3668 9.5743 9.5743 10.0371 10.0371 10.2580 10.2580 10.3704 10.3704 10.6130 10.6130 11.8263 11.8263 12.1340 12.1340 14.6978 14.6978 15.7058 15.7058 15.9152 15.9152 16.4812 16.4812 16.8993 16.8993 17.5978 17.5978 k = 0.2550 0.1472 0.4164 ( 3110 PWs) bands (ev): -35.3831 -35.3831 -14.3607 -14.3607 -13.8574 -13.8574 -13.8538 -13.8538 -0.5718 -0.5718 -0.5683 -0.5683 0.2505 0.2505 0.2773 0.2773 0.2859 0.2859 6.4966 6.4966 8.2729 8.2729 8.5604 8.5604 8.7047 8.7047 8.9416 8.9416 9.3875 9.3875 9.6051 9.6051 10.0467 10.0467 10.2503 10.2503 10.3753 10.3753 10.6220 10.6220 11.8671 11.8671 12.1741 12.1741 14.7630 14.7630 15.8047 15.8047 15.8846 15.8846 16.4682 16.4682 16.9570 16.9570 17.5618 17.5618 k = 0.2475 0.1429 0.4042 ( 3114 PWs) bands (ev): -35.3831 -35.3831 -14.3607 -14.3607 -13.8573 -13.8573 -13.8537 -13.8537 -0.5719 -0.5719 -0.5682 -0.5682 0.2504 0.2504 0.2771 0.2771 0.2857 0.2857 6.4260 6.4260 8.2621 8.2621 8.5565 8.5565 8.7026 8.7026 8.9259 8.9259 9.3958 9.3958 9.6521 9.6521 10.0568 10.0568 10.2440 10.2440 10.3850 10.3850 10.6320 10.6320 11.9039 11.9039 12.2209 12.2209 14.8280 14.8280 15.8163 15.8163 15.9414 15.9414 16.4568 16.4568 17.0181 17.0181 17.5093 17.5093 k = 0.2400 0.1386 0.3919 ( 3106 PWs) bands (ev): -35.3831 -35.3831 -14.3606 -14.3606 -13.8572 -13.8572 -13.8536 -13.8536 -0.5719 -0.5719 -0.5681 -0.5681 0.2503 0.2503 0.2771 0.2771 0.2856 0.2856 6.3535 6.3535 8.2524 8.2524 8.5501 8.5501 8.6997 8.6997 8.9110 8.9110 9.3948 9.3948 9.7110 9.7110 10.0673 10.0673 10.2396 10.2396 10.3992 10.3992 10.6431 10.6431 11.9376 11.9376 12.2740 12.2740 14.8927 14.8927 15.7761 15.7761 16.0487 16.0487 16.4476 16.4476 17.0823 17.0823 17.4563 17.4563 k = 0.2325 0.1342 0.3797 ( 3114 PWs) bands (ev): -35.3832 -35.3832 -14.3606 -14.3606 -13.8571 -13.8571 -13.8535 -13.8535 -0.5720 -0.5720 -0.5681 -0.5681 0.2502 0.2502 0.2770 0.2770 0.2853 0.2853 6.2795 6.2795 8.2437 8.2437 8.5417 8.5417 8.6960 8.6960 8.8966 8.8966 9.3881 9.3881 9.7770 9.7770 10.0781 10.0781 10.2372 10.2372 10.4174 10.4174 10.6551 10.6551 11.9690 11.9690 12.3328 12.3328 14.9570 14.9570 15.7307 15.7307 16.1574 16.1574 16.4429 16.4429 17.1494 17.1494 17.4045 17.4045 k = 0.2250 0.1299 0.3674 ( 3108 PWs) bands (ev): -35.3832 -35.3832 -14.3605 -14.3605 -13.8570 -13.8570 -13.8534 -13.8534 -0.5720 -0.5720 -0.5681 -0.5681 0.2501 0.2501 0.2769 0.2769 0.2850 0.2850 6.2047 6.2047 8.2362 8.2362 8.5319 8.5319 8.6915 8.6915 8.8824 8.8824 9.3778 9.3778 9.8468 9.8468 10.0893 10.0893 10.2371 10.2371 10.4396 10.4396 10.6678 10.6678 11.9995 11.9995 12.3964 12.3964 15.0210 15.0210 15.6831 15.6831 16.2563 16.2563 16.4501 16.4501 17.2192 17.2192 17.3552 17.3552 k = 0.2175 0.1256 0.3552 ( 3106 PWs) bands (ev): -35.3832 -35.3832 -14.3604 -14.3604 -13.8568 -13.8568 -13.8534 -13.8534 -0.5720 -0.5720 -0.5681 -0.5681 0.2501 0.2501 0.2768 0.2768 0.2848 0.2848 6.1294 6.1294 8.2300 8.2300 8.5209 8.5209 8.6863 8.6863 8.8684 8.8684 9.3653 9.3653 9.9176 9.9176 10.1007 10.1007 10.2398 10.2398 10.4656 10.4656 10.6813 10.6813 12.0302 12.0302 12.4643 12.4643 15.0845 15.0845 15.6339 15.6339 16.3228 16.3228 16.4897 16.4897 17.2908 17.2908 17.3108 17.3108 k = 0.2100 0.1212 0.3429 ( 3106 PWs) bands (ev): -35.3832 -35.3832 -14.3604 -14.3604 -13.8567 -13.8567 -13.8533 -13.8533 -0.5721 -0.5721 -0.5682 -0.5682 0.2499 0.2499 0.2766 0.2766 0.2844 0.2844 6.0540 6.0540 8.2250 8.2250 8.5092 8.5092 8.6804 8.6804 8.8542 8.8542 9.3512 9.3512 9.9870 9.9870 10.1123 10.1123 10.2461 10.2461 10.4952 10.4952 10.6955 10.6955 12.0620 12.0620 12.5359 12.5359 15.1472 15.1472 15.5836 15.5836 16.3450 16.3450 16.5706 16.5706 17.2716 17.2716 17.3665 17.3665 k = 0.2025 0.1169 0.3307 ( 3100 PWs) bands (ev): -35.3832 -35.3832 -14.3603 -14.3603 -13.8565 -13.8565 -13.8532 -13.8532 -0.5720 -0.5720 -0.5682 -0.5682 0.2499 0.2499 0.2766 0.2766 0.2841 0.2841 5.9790 5.9790 8.2211 8.2211 8.4970 8.4970 8.6740 8.6740 8.8398 8.8398 9.3362 9.3362 10.0518 10.0518 10.1241 10.1241 10.2578 10.2578 10.5282 10.5282 10.7103 10.7103 12.0958 12.0958 12.6107 12.6107 15.2087 15.2087 15.5329 15.5329 16.3463 16.3463 16.6642 16.6642 17.2460 17.2460 17.4425 17.4425 k = 0.1950 0.1126 0.3184 ( 3100 PWs) bands (ev): -35.3832 -35.3832 -14.3602 -14.3602 -13.8564 -13.8564 -13.8531 -13.8531 -0.5721 -0.5721 -0.5683 -0.5683 0.2498 0.2498 0.2764 0.2764 0.2837 0.2837 5.9046 5.9046 8.2184 8.2184 8.4845 8.4845 8.6671 8.6671 8.8250 8.8250 9.3205 9.3205 10.1070 10.1070 10.1365 10.1365 10.2782 10.2782 10.5643 10.5643 10.7257 10.7257 12.1325 12.1325 12.6884 12.6884 15.2671 15.2671 15.4839 15.4839 16.3409 16.3409 16.7471 16.7471 17.2418 17.2418 17.5195 17.5195 k = 0.1875 0.1083 0.3062 ( 3100 PWs) bands (ev): -35.3833 -35.3833 -14.3602 -14.3602 -13.8562 -13.8562 -13.8530 -13.8530 -0.5721 -0.5721 -0.5684 -0.5684 0.2497 0.2497 0.2762 0.2762 0.2833 0.2833 5.8312 5.8312 8.2167 8.2167 8.4719 8.4719 8.6599 8.6599 8.8099 8.8099 9.3044 9.3044 10.1423 10.1423 10.1547 10.1547 10.3113 10.3113 10.6031 10.6031 10.7419 10.7419 12.1728 12.1728 12.7687 12.7687 15.3149 15.3149 15.4442 15.4442 16.3329 16.3329 16.8032 16.8032 17.2706 17.2706 17.5958 17.5958 k = 0.1800 0.1039 0.2939 ( 3102 PWs) bands (ev): -35.3833 -35.3833 -14.3601 -14.3601 -13.8560 -13.8560 -13.8530 -13.8530 -0.5721 -0.5721 -0.5685 -0.5685 0.2496 0.2496 0.2760 0.2760 0.2828 0.2828 5.7591 5.7591 8.2160 8.2160 8.4593 8.4593 8.6523 8.6523 8.7944 8.7944 9.2882 9.2882 10.1566 10.1566 10.1791 10.1791 10.3570 10.3570 10.6438 10.6438 10.7591 10.7591 12.2173 12.2173 12.8513 12.8513 15.3220 15.3220 15.4441 15.4441 16.3235 16.3235 16.8261 16.8261 17.3367 17.3367 17.6683 17.6683 k = 0.1725 0.0996 0.2817 ( 3098 PWs) bands (ev): -35.3833 -35.3833 -14.3600 -14.3600 -13.8558 -13.8558 -13.8529 -13.8529 -0.5721 -0.5721 -0.5686 -0.5686 0.2495 0.2495 0.2759 0.2759 0.2824 0.2824 5.6885 5.6885 8.2162 8.2162 8.4469 8.4469 8.6445 8.6445 8.7787 8.7787 9.2721 9.2721 10.1682 10.1682 10.1961 10.1961 10.4099 10.4099 10.6851 10.6851 10.7780 10.7780 12.2666 12.2666 12.9360 12.9360 15.2837 15.2837 15.4885 15.4885 16.3134 16.3134 16.8238 16.8238 17.4290 17.4290 17.7294 17.7294 k = 0.1650 0.0953 0.2694 ( 3094 PWs) bands (ev): -35.3833 -35.3833 -14.3600 -14.3600 -13.8556 -13.8556 -13.8528 -13.8528 -0.5721 -0.5721 -0.5688 -0.5688 0.2494 0.2494 0.2757 0.2757 0.2819 0.2819 5.6197 5.6197 8.2171 8.2171 8.4347 8.4347 8.6365 8.6365 8.7626 8.7626 9.2562 9.2562 10.1792 10.1792 10.2081 10.2081 10.4651 10.4651 10.7246 10.7246 10.8002 10.8002 12.3214 12.3214 13.0224 13.0224 15.2324 15.2324 15.5452 15.5452 16.3027 16.3027 16.8080 16.8080 17.5267 17.5267 17.7671 17.7671 k = 0.1575 0.0909 0.2572 ( 3106 PWs) bands (ev): -35.3833 -35.3833 -14.3599 -14.3599 -13.8554 -13.8554 -13.8528 -13.8528 -0.5722 -0.5722 -0.5690 -0.5690 0.2492 0.2492 0.2755 0.2755 0.2812 0.2812 5.5529 5.5529 8.2188 8.2188 8.4229 8.4229 8.6283 8.6283 8.7464 8.7464 9.2407 9.2407 10.1897 10.1897 10.2176 10.2176 10.5198 10.5198 10.7589 10.7589 10.8282 10.8282 12.3819 12.3819 13.1101 13.1101 15.1776 15.1776 15.6048 15.6048 16.2919 16.2919 16.7866 16.7866 17.5888 17.5888 17.8012 17.8012 k = 0.1500 0.0866 0.2449 ( 3108 PWs) bands (ev): -35.3834 -35.3834 -14.3599 -14.3599 -13.8552 -13.8552 -13.8527 -13.8527 -0.5723 -0.5723 -0.5692 -0.5692 0.2491 0.2491 0.2752 0.2752 0.2807 0.2807 5.4882 5.4882 8.2211 8.2211 8.4115 8.4115 8.6200 8.6200 8.7300 8.7300 9.2258 9.2258 10.1998 10.1998 10.2255 10.2255 10.5730 10.5730 10.7860 10.7860 10.8632 10.8632 12.4485 12.4485 13.1987 13.1987 15.1217 15.1217 15.6653 15.6653 16.2811 16.2811 16.7638 16.7638 17.5743 17.5743 17.8858 17.8858 k = 0.1425 0.0823 0.2327 ( 3104 PWs) bands (ev): -35.3834 -35.3834 -14.3598 -14.3598 -13.8550 -13.8550 -13.8527 -13.8527 -0.5722 -0.5722 -0.5694 -0.5694 0.2491 0.2491 0.2751 0.2751 0.2802 0.2802 5.4259 5.4259 8.2239 8.2239 8.4006 8.4006 8.6117 8.6117 8.7137 8.7137 9.2116 9.2116 10.2093 10.2093 10.2326 10.2326 10.6240 10.6240 10.8077 10.8077 10.9023 10.9023 12.5215 12.5215 13.2878 13.2878 15.0656 15.0656 15.7259 15.7259 16.2709 16.2709 16.7419 16.7419 17.5167 17.5167 17.9994 17.9994 k = 0.1350 0.0779 0.2205 ( 3094 PWs) bands (ev): -35.3834 -35.3834 -14.3597 -14.3597 -13.8548 -13.8548 -13.8526 -13.8526 -0.5722 -0.5722 -0.5695 -0.5695 0.2490 0.2490 0.2750 0.2750 0.2797 0.2797 5.3661 5.3661 8.2273 8.2273 8.3901 8.3901 8.6034 8.6034 8.6974 8.6974 9.1982 9.1982 10.2183 10.2183 10.2392 10.2392 10.6724 10.6724 10.8270 10.8270 10.9423 10.9423 12.6006 12.6006 13.3768 13.3768 15.0100 15.0100 15.7862 15.7862 16.2618 16.2618 16.7220 16.7220 17.4446 17.4446 18.1127 18.1127 k = 0.1275 0.0736 0.2082 ( 3088 PWs) bands (ev): -35.3834 -35.3834 -14.3596 -14.3596 -13.8545 -13.8545 -13.8525 -13.8525 -0.5721 -0.5721 -0.5697 -0.5697 0.2490 0.2490 0.2749 0.2749 0.2792 0.2792 5.3089 5.3089 8.2310 8.2310 8.3802 8.3802 8.5950 8.5950 8.6812 8.6812 9.1856 9.1856 10.2267 10.2267 10.2452 10.2452 10.7178 10.7178 10.8460 10.8460 10.9811 10.9811 12.6857 12.6857 13.4651 13.4651 14.9553 14.9553 15.8460 15.8460 16.2544 16.2544 16.7048 16.7048 17.3669 17.3669 18.2075 18.2075 k = 0.1200 0.0693 0.1960 ( 3088 PWs) bands (ev): -35.3834 -35.3834 -14.3595 -14.3595 -13.8543 -13.8543 -13.8525 -13.8525 -0.5721 -0.5721 -0.5699 -0.5699 0.2489 0.2489 0.2747 0.2747 0.2787 0.2787 5.2544 5.2544 8.2350 8.2350 8.3708 8.3708 8.5867 8.5867 8.6653 8.6653 9.1740 9.1740 10.2346 10.2346 10.2508 10.2508 10.7589 10.7589 10.8663 10.8663 11.0176 11.0176 12.7764 12.7764 13.5521 13.5521 14.9020 14.9020 15.9052 15.9052 16.2495 16.2495 16.6904 16.6904 17.2864 17.2864 18.2705 18.2705 k = 0.1125 0.0650 0.1837 ( 3094 PWs) bands (ev): -35.3835 -35.3835 -14.3595 -14.3595 -13.8541 -13.8541 -13.8525 -13.8525 -0.5722 -0.5722 -0.5701 -0.5701 0.2488 0.2488 0.2744 0.2744 0.2781 0.2781 5.2028 5.2028 8.2394 8.2394 8.3619 8.3619 8.5785 8.5785 8.6496 8.6496 9.1633 9.1633 10.2418 10.2418 10.2560 10.2560 10.7941 10.7941 10.8900 10.8900 11.0512 11.0512 12.8718 12.8718 13.6370 13.6370 14.8506 14.8506 15.9635 15.9635 16.2480 16.2480 16.6789 16.6789 17.2043 17.2043 18.2951 18.2951 k = 0.1050 0.0606 0.1715 ( 3106 PWs) bands (ev): -35.3835 -35.3835 -14.3595 -14.3595 -13.8539 -13.8539 -13.8525 -13.8525 -0.5723 -0.5723 -0.5705 -0.5705 0.2486 0.2486 0.2741 0.2741 0.2774 0.2774 5.1541 5.1541 8.2439 8.2439 8.3536 8.3536 8.5705 8.5705 8.6343 8.6343 9.1536 9.1536 10.2486 10.2486 10.2609 10.2609 10.8219 10.8219 10.9186 10.9186 11.0819 11.0819 12.9713 12.9713 13.7192 13.7192 14.8015 14.8015 16.0208 16.0208 16.2507 16.2507 16.6702 16.6702 17.1208 17.1208 18.2866 18.2866 k = 0.0975 0.0563 0.1592 ( 3104 PWs) bands (ev): -35.3835 -35.3835 -14.3594 -14.3594 -13.8537 -13.8537 -13.8525 -13.8525 -0.5723 -0.5723 -0.5706 -0.5706 0.2485 0.2485 0.2740 0.2740 0.2769 0.2769 5.1085 5.1085 8.2487 8.2487 8.3459 8.3459 8.5626 8.5626 8.6195 8.6195 9.1448 9.1448 10.2547 10.2547 10.2654 10.2654 10.8429 10.8429 10.9517 10.9517 11.1095 11.1095 13.0737 13.0737 13.7981 13.7981 14.7554 14.7554 16.0769 16.0769 16.2582 16.2582 16.6642 16.6642 17.0361 17.0361 18.2566 18.2566 k = 0.0900 0.0520 0.1470 ( 3102 PWs) bands (ev): -35.3835 -35.3835 -14.3593 -14.3593 -13.8535 -13.8535 -13.8524 -13.8524 -0.5723 -0.5723 -0.5708 -0.5708 0.2484 0.2484 0.2739 0.2739 0.2764 0.2764 5.0660 5.0660 8.2536 8.2536 8.3388 8.3388 8.5551 8.5551 8.6052 8.6052 9.1371 9.1371 10.2604 10.2604 10.2695 10.2695 10.8588 10.8588 10.9872 10.9872 11.1342 11.1342 13.1778 13.1778 13.8731 13.8731 14.7129 14.7129 16.1314 16.1314 16.2713 16.2713 16.6609 16.6609 16.9501 16.9501 18.2135 18.2135 k = 0.0825 0.0476 0.1347 ( 3114 PWs) bands (ev): -35.3835 -35.3835 -14.3593 -14.3593 -13.8534 -13.8534 -13.8524 -13.8524 -0.5724 -0.5724 -0.5711 -0.5711 0.2482 0.2482 0.2737 0.2737 0.2758 0.2758 5.0267 5.0267 8.2585 8.2585 8.3322 8.3322 8.5478 8.5478 8.5914 8.5914 9.1302 9.1302 10.2655 10.2655 10.2733 10.2733 10.8714 10.8714 11.0234 11.0234 11.1560 11.1560 13.2820 13.2820 13.9440 13.9440 14.6744 14.6744 16.1840 16.1840 16.2902 16.2902 16.6601 16.6601 16.8630 16.8630 18.1622 18.1622 k = 0.0750 0.0433 0.1225 ( 3113 PWs) bands (ev): -35.3835 -35.3835 -14.3592 -14.3592 -13.8532 -13.8532 -13.8524 -13.8524 -0.5724 -0.5724 -0.5713 -0.5713 0.2482 0.2482 0.2736 0.2736 0.2754 0.2754 4.9906 4.9906 8.2635 8.2635 8.3262 8.3262 8.5410 8.5410 8.5783 8.5783 9.1243 9.1243 10.2702 10.2702 10.2766 10.2766 10.8818 10.8818 11.0588 11.0588 11.1752 11.1752 13.3841 13.3841 14.0109 14.0109 14.6407 14.6407 16.2344 16.2344 16.3148 16.3148 16.6611 16.6611 16.7758 16.7758 18.1054 18.1054 k = 0.0675 0.0390 0.1102 ( 3109 PWs) bands (ev): -35.3836 -35.3836 -14.3592 -14.3592 -13.8530 -13.8530 -13.8524 -13.8524 -0.5724 -0.5724 -0.5714 -0.5714 0.2481 0.2481 0.2735 0.2735 0.2750 0.2750 4.9578 4.9578 8.2685 8.2685 8.3208 8.3208 8.5345 8.5345 8.5660 8.5660 9.1192 9.1192 10.2744 10.2744 10.2797 10.2797 10.8906 10.8906 11.0927 11.0927 11.1920 11.1920 13.4818 13.4818 14.0747 14.0747 14.6121 14.6121 16.2820 16.2820 16.3443 16.3443 16.6529 16.6529 16.7007 16.7007 18.0453 18.0453 k = 0.0600 0.0346 0.0980 ( 3107 PWs) bands (ev): -35.3836 -35.3836 -14.3591 -14.3591 -13.8529 -13.8529 -13.8524 -13.8524 -0.5723 -0.5723 -0.5716 -0.5716 0.2481 0.2481 0.2734 0.2734 0.2746 0.2746 4.9283 4.9283 8.2734 8.2734 8.3159 8.3159 8.5286 8.5286 8.5544 8.5544 9.1149 9.1149 10.2781 10.2781 10.2823 10.2823 10.8980 10.8980 11.1245 11.1245 11.2064 11.2064 13.5720 13.5720 14.1366 14.1366 14.5890 14.5890 16.3264 16.3264 16.3767 16.3767 16.5839 16.5839 16.6914 16.6914 17.9835 17.9835 k = 0.0525 0.0303 0.0857 ( 3115 PWs) bands (ev): -35.3836 -35.3836 -14.3591 -14.3591 -13.8528 -13.8528 -13.8524 -13.8524 -0.5724 -0.5724 -0.5718 -0.5718 0.2480 0.2480 0.2731 0.2731 0.2742 0.2742 4.9023 4.9023 8.2782 8.2782 8.3116 8.3116 8.5232 8.5232 8.5437 8.5437 9.1113 9.1113 10.2813 10.2813 10.2846 10.2846 10.9043 10.9043 11.1537 11.1537 11.2188 11.2188 13.6516 13.6516 14.1984 14.1984 14.5714 14.5714 16.3665 16.3665 16.4075 16.4075 16.4993 16.4993 16.7077 16.7077 17.9215 17.9215 k = 0.0450 0.0260 0.0735 ( 3119 PWs) bands (ev): -35.3836 -35.3836 -14.3591 -14.3591 -13.8527 -13.8527 -13.8524 -13.8524 -0.5724 -0.5724 -0.5720 -0.5720 0.2479 0.2479 0.2730 0.2730 0.2738 0.2738 4.8796 4.8796 8.2826 8.2826 8.3079 8.3079 8.5185 8.5185 8.5341 8.5341 9.1084 9.1084 10.2841 10.2841 10.2866 10.2866 10.9097 10.9097 11.1798 11.1798 11.2293 11.2293 13.7179 13.7179 14.2617 14.2617 14.5587 14.5587 16.3822 16.3822 16.4152 16.4152 16.4557 16.4557 16.7341 16.7341 17.8603 17.8603 k = 0.0375 0.0217 0.0612 ( 3123 PWs) bands (ev): -35.3836 -35.3836 -14.3591 -14.3591 -13.8526 -13.8526 -13.8524 -13.8524 -0.5724 -0.5724 -0.5722 -0.5722 0.2479 0.2479 0.2730 0.2730 0.2734 0.2734 4.8603 4.8603 8.2867 8.2867 8.3047 8.3047 8.5143 8.5143 8.5256 8.5256 9.1060 9.1060 10.2865 10.2865 10.2882 10.2882 10.9141 10.9141 11.2026 11.2026 11.2379 11.2379 13.7696 13.7696 14.3264 14.3264 14.5504 14.5504 16.3099 16.3099 16.4418 16.4418 16.4750 16.4750 16.7698 16.7698 17.8010 17.8010 k = 0.0300 0.0173 0.0490 ( 3125 PWs) bands (ev): -35.3836 -35.3836 -14.3591 -14.3591 -13.8525 -13.8525 -13.8524 -13.8524 -0.5725 -0.5725 -0.5723 -0.5723 0.2478 0.2478 0.2729 0.2729 0.2732 0.2732 4.8446 4.8446 8.2903 8.2903 8.3021 8.3021 8.5109 8.5109 8.5183 8.5183 9.1041 9.1041 10.2884 10.2884 10.2895 10.2895 10.9176 10.9176 11.2217 11.2217 11.2448 11.2448 13.8072 13.8072 14.3904 14.3904 14.5453 14.5453 16.2321 16.2321 16.4696 16.4696 16.4938 16.4938 16.8129 16.8129 17.7447 17.7447 k = 0.0225 0.0130 0.0367 ( 3121 PWs) bands (ev): -35.3836 -35.3836 -14.3590 -14.3590 -13.8524 -13.8524 -13.8524 -13.8524 -0.5724 -0.5724 -0.5723 -0.5723 0.2478 0.2478 0.2729 0.2729 0.2730 0.2730 4.8323 4.8323 8.2933 8.2933 8.3001 8.3001 8.5082 8.5082 8.5125 8.5125 9.1028 9.1028 10.2899 10.2899 10.2905 10.2905 10.9204 10.9204 11.2369 11.2369 11.2501 11.2501 13.8329 13.8329 14.4493 14.4493 14.5426 14.5426 16.1632 16.1632 16.4923 16.4923 16.5075 16.5075 16.8587 16.8587 17.6935 17.6935 k = 0.0150 0.0087 0.0245 ( 3119 PWs) bands (ev): -35.3836 -35.3836 -14.3590 -14.3590 -13.8524 -13.8524 -13.8524 -13.8524 -0.5724 -0.5724 -0.5724 -0.5724 0.2478 0.2478 0.2729 0.2729 0.2730 0.2730 4.8235 4.8235 8.2956 8.2956 8.2986 8.2986 8.5063 8.5063 8.5082 8.5082 9.1018 9.1018 10.2910 10.2910 10.2912 10.2912 10.9223 10.9223 11.2479 11.2479 11.2539 11.2539 13.8490 13.8490 14.4976 14.4976 14.5413 14.5413 16.1088 16.1088 16.5091 16.5091 16.5164 16.5164 16.9006 16.9006 17.6508 17.6508 k = 0.0075 0.0043 0.0122 ( 3119 PWs) bands (ev): -35.3836 -35.3836 -14.3590 -14.3590 -13.8524 -13.8524 -13.8524 -13.8524 -0.5724 -0.5724 -0.5724 -0.5724 0.2478 0.2478 0.2729 0.2729 0.2729 0.2729 4.8182 4.8182 8.2970 8.2970 8.2978 8.2978 8.5051 8.5051 8.5056 8.5056 9.1013 9.1013 10.2916 10.2916 10.2917 10.2917 10.9235 10.9235 11.2546 11.2546 11.2561 11.2561 13.8578 13.8578 14.5294 14.5294 14.5407 14.5407 16.0736 16.0736 16.5194 16.5194 16.5213 16.5213 16.9308 16.9308 17.6214 17.6214 k = 0.0000 0.0000 0.0000 ( 3119 PWs) bands (ev): -35.3836 -35.3836 -14.3590 -14.3590 -13.8524 -13.8524 -13.8524 -13.8524 -0.5724 -0.5724 -0.5724 -0.5724 0.2478 0.2478 0.2729 0.2729 0.2729 0.2729 4.8165 4.8165 8.2975 8.2975 8.2975 8.2975 8.5047 8.5047 8.5047 8.5047 9.1011 9.1011 10.2918 10.2918 10.2918 10.2918 10.9239 10.9239 11.2568 11.2568 11.2568 11.2568 13.8605 13.8605 14.5406 14.5406 14.5406 14.5406 16.0614 16.0614 16.5229 16.5229 16.5229 16.5229 16.9418 16.9418 17.6108 17.6108 k = 0.0000 0.0000 0.0000 ( 3119 PWs) bands (ev): -35.3836 -35.3836 -14.3590 -14.3590 -13.8524 -13.8524 -13.8524 -13.8524 -0.5724 -0.5724 -0.5724 -0.5724 0.2478 0.2478 0.2729 0.2729 0.2729 0.2729 4.8165 4.8165 8.2975 8.2975 8.2975 8.2975 8.5047 8.5047 8.5047 8.5047 9.1011 9.1011 10.2918 10.2918 10.2918 10.2918 10.9239 10.9239 11.2568 11.2568 11.2568 11.2568 13.8605 13.8605 14.5406 14.5406 14.5406 14.5406 16.0614 16.0614 16.5229 16.5229 16.5229 16.5229 16.9418 16.9418 17.6108 17.6108 k = 0.0122 0.0070 0.0050 ( 3119 PWs) bands (ev): -35.3836 -35.3836 -14.3590 -14.3590 -13.8524 -13.8524 -13.8524 -13.8524 -0.5724 -0.5724 -0.5724 -0.5724 0.2478 0.2478 0.2729 0.2729 0.2729 0.2729 4.8182 4.8182 8.2973 8.2973 8.2975 8.2975 8.5053 8.5053 8.5054 8.5054 9.1013 9.1013 10.2916 10.2916 10.2917 10.2917 10.9235 10.9235 11.2550 11.2550 11.2557 11.2557 13.8578 13.8578 14.5289 14.5289 14.5414 14.5414 16.0735 16.0735 16.5203 16.5203 16.5206 16.5206 16.9308 16.9308 17.6213 17.6213 k = 0.0244 0.0141 0.0100 ( 3119 PWs) bands (ev): -35.3836 -35.3836 -14.3590 -14.3590 -13.8524 -13.8524 -13.8524 -13.8524 -0.5724 -0.5724 -0.5724 -0.5724 0.2478 0.2478 0.2729 0.2729 0.2730 0.2730 4.8234 4.8234 8.2967 8.2967 8.2975 8.2975 8.5069 8.5069 8.5075 8.5075 9.1018 9.1018 10.2911 10.2911 10.2912 10.2912 10.9223 10.9223 11.2495 11.2495 11.2524 11.2524 13.8489 13.8489 14.4957 14.4957 14.5438 14.5438 16.1081 16.1081 16.5125 16.5125 16.5137 16.5137 16.9007 16.9007 17.6504 17.6504 k = 0.0366 0.0211 0.0149 ( 3125 PWs) bands (ev): -35.3836 -35.3836 -14.3590 -14.3590 -13.8525 -13.8525 -13.8524 -13.8524 -0.5725 -0.5725 -0.5724 -0.5724 0.2478 0.2478 0.2729 0.2729 0.2730 0.2730 4.8322 4.8322 8.2959 8.2959 8.2975 8.2975 8.5096 8.5096 8.5110 8.5110 9.1027 9.1027 10.2901 10.2901 10.2903 10.2903 10.9204 10.9204 11.2404 11.2404 11.2468 11.2468 13.8317 13.8317 14.4468 14.4468 14.5478 14.5478 16.1611 16.1611 16.5000 16.5000 16.5023 16.5023 16.8581 16.8581 17.6925 17.6925 k = 0.0488 0.0282 0.0199 ( 3125 PWs) bands (ev): -35.3836 -35.3836 -14.3591 -14.3591 -13.8525 -13.8525 -13.8524 -13.8524 -0.5725 -0.5725 -0.5723 -0.5723 0.2478 0.2478 0.2729 0.2729 0.2732 0.2732 4.8443 4.8443 8.2948 8.2948 8.2977 8.2977 8.5133 8.5133 8.5158 8.5158 9.1041 9.1041 10.2888 10.2888 10.2892 10.2892 10.9177 10.9177 11.2278 11.2278 11.2391 11.2391 13.8028 13.8028 14.3903 14.3903 14.5533 14.5533 16.2258 16.2258 16.4835 16.4835 16.4870 16.4870 16.8111 16.8111 17.7425 17.7425 k = 0.0610 0.0352 0.0249 ( 3122 PWs) bands (ev): -35.3836 -35.3836 -14.3591 -14.3591 -13.8526 -13.8526 -13.8524 -13.8524 -0.5724 -0.5724 -0.5722 -0.5722 0.2479 0.2479 0.2730 0.2730 0.2735 0.2735 4.8600 4.8600 8.2935 8.2935 8.2979 8.2979 8.5180 8.5180 8.5218 8.5218 9.1059 9.1059 10.2871 10.2871 10.2876 10.2876 10.9142 10.9142 11.2118 11.2118 11.2293 11.2293 13.7575 13.7575 14.3353 14.3353 14.5602 14.5602 16.2933 16.2933 16.4645 16.4645 16.4681 16.4681 16.7689 16.7689 17.7967 17.7967 k = 0.0732 0.0422 0.0299 ( 3116 PWs) bands (ev): -35.3836 -35.3836 -14.3591 -14.3591 -13.8527 -13.8527 -13.8524 -13.8524 -0.5723 -0.5723 -0.5721 -0.5721 0.2480 0.2480 0.2731 0.2731 0.2738 0.2738 4.8790 4.8790 8.2922 8.2922 8.2984 8.2984 8.5234 8.5234 8.5290 8.5290 9.1082 9.1082 10.2850 10.2850 10.2857 10.2857 10.9099 10.9099 11.1925 11.1925 11.2175 11.2175 13.6917 13.6917 14.2894 14.2894 14.5684 14.5684 16.3487 16.3487 16.4453 16.4453 16.4461 16.4461 16.7444 16.7444 17.8532 17.8532 k = 0.0854 0.0493 0.0349 ( 3104 PWs) bands (ev): -35.3836 -35.3836 -14.3591 -14.3591 -13.8528 -13.8528 -13.8524 -13.8524 -0.5721 -0.5721 -0.5719 -0.5719 0.2481 0.2481 0.2732 0.2732 0.2743 0.2743 4.9015 4.9015 8.2909 8.2909 8.2992 8.2992 8.5296 8.5296 8.5372 8.5372 9.1110 9.1110 10.2826 10.2826 10.2834 10.2834 10.9046 10.9046 11.1700 11.1700 11.2037 11.2037 13.6042 13.6042 14.2569 14.2569 14.5778 14.5778 16.3704 16.3704 16.4217 16.4217 16.4296 16.4296 16.7559 16.7559 17.9110 17.9110 k = 0.0976 0.0563 0.0398 ( 3101 PWs) bands (ev): -35.3836 -35.3836 -14.3591 -14.3591 -13.8529 -13.8529 -13.8523 -13.8523 -0.5721 -0.5721 -0.5717 -0.5717 0.2482 0.2482 0.2733 0.2733 0.2748 0.2748 4.9274 4.9274 8.2896 8.2896 8.3003 8.3003 8.5363 8.5363 8.5464 8.5464 9.1144 9.1144 10.2798 10.2798 10.2806 10.2806 10.8985 10.8985 11.1446 11.1446 11.1880 11.1880 13.4973 13.4973 14.2378 14.2378 14.5881 14.5881 16.3580 16.3580 16.3953 16.3953 16.4097 16.4097 16.8114 16.8114 17.9695 17.9695 k = 0.1098 0.0634 0.0448 ( 3101 PWs) bands (ev): -35.3836 -35.3836 -14.3592 -14.3592 -13.8530 -13.8530 -13.8523 -13.8523 -0.5720 -0.5720 -0.5716 -0.5716 0.2482 0.2482 0.2734 0.2734 0.2752 0.2752 4.9566 4.9566 8.2884 8.2884 8.3018 8.3018 8.5437 8.5437 8.5564 8.5564 9.1185 9.1185 10.2767 10.2767 10.2774 10.2774 10.8913 10.8913 11.1163 11.1163 11.1706 11.1706 13.3752 13.3752 14.2295 14.2295 14.5992 14.5992 16.3311 16.3311 16.3678 16.3678 16.3784 16.3784 16.8986 16.8986 18.0286 18.0286 k = 0.1220 0.0704 0.0498 ( 3095 PWs) bands (ev): -35.3835 -35.3835 -14.3592 -14.3592 -13.8532 -13.8532 -13.8523 -13.8523 -0.5720 -0.5720 -0.5714 -0.5714 0.2484 0.2484 0.2735 0.2735 0.2758 0.2758 4.9892 4.9892 8.2876 8.2876 8.3037 8.3037 8.5515 8.5515 8.5673 8.5673 9.1232 9.1232 10.2732 10.2732 10.2737 10.2737 10.8831 10.8831 11.0855 11.0855 11.1516 11.1516 13.2422 13.2422 14.2293 14.2293 14.6109 14.6109 16.2971 16.2971 16.3396 16.3396 16.3428 16.3428 17.0029 17.0029 18.0879 18.0879 k = 0.1341 0.0774 0.0548 ( 3104 PWs) bands (ev): -35.3835 -35.3835 -14.3593 -14.3593 -13.8534 -13.8534 -13.8524 -13.8524 -0.5721 -0.5721 -0.5713 -0.5713 0.2483 0.2483 0.2736 0.2736 0.2761 0.2761 5.0250 5.0250 8.2869 8.2869 8.3061 8.3061 8.5598 8.5598 8.5788 8.5788 9.1285 9.1285 10.2694 10.2694 10.2695 10.2695 10.8736 10.8736 11.0524 11.0524 11.1310 11.1310 13.1016 13.1016 14.2347 14.2347 14.6228 14.6228 16.2575 16.2575 16.3090 16.3090 16.3113 16.3113 17.1158 17.1158 18.1473 18.1473 k = 0.1463 0.0845 0.0597 ( 3098 PWs) bands (ev): -35.3835 -35.3835 -14.3593 -14.3593 -13.8536 -13.8536 -13.8524 -13.8524 -0.5719 -0.5719 -0.5711 -0.5711 0.2485 0.2485 0.2737 0.2737 0.2767 0.2767 5.0640 5.0640 8.2866 8.2866 8.3090 8.3090 8.5684 8.5684 8.5909 8.5909 9.1346 9.1346 10.2647 10.2647 10.2653 10.2653 10.8627 10.8627 11.0173 11.0173 11.1090 11.1090 12.9562 12.9562 14.2442 14.2442 14.6349 14.6349 16.2146 16.2146 16.2788 16.2788 16.2835 16.2835 17.2326 17.2326 18.2064 18.2064 k = 0.1585 0.0915 0.0647 ( 3110 PWs) bands (ev): -35.3835 -35.3835 -14.3594 -14.3594 -13.8538 -13.8538 -13.8524 -13.8524 -0.5720 -0.5720 -0.5710 -0.5710 0.2485 0.2485 0.2738 0.2738 0.2771 0.2771 5.1062 5.1062 8.2867 8.2867 8.3124 8.3124 8.5775 8.5775 8.6036 8.6036 9.1413 9.1413 10.2595 10.2595 10.2609 10.2609 10.8500 10.8500 10.9807 10.9807 11.0857 11.0857 12.8077 12.8077 14.2562 14.2562 14.6467 14.6467 16.1708 16.1708 16.2517 16.2517 16.2569 16.2569 17.3492 17.3492 18.2647 18.2647 k = 0.1707 0.0986 0.0697 ( 3101 PWs) bands (ev): -35.3835 -35.3835 -14.3594 -14.3594 -13.8540 -13.8540 -13.8524 -13.8524 -0.5719 -0.5719 -0.5707 -0.5707 0.2487 0.2487 0.2739 0.2739 0.2778 0.2778 5.1515 5.1515 8.2871 8.2871 8.3164 8.3164 8.5868 8.5868 8.6167 8.6167 9.1487 9.1487 10.2537 10.2537 10.2562 10.2562 10.8348 10.8348 10.9432 10.9432 11.0613 11.0613 12.6578 12.6578 14.2701 14.2701 14.6581 14.6581 16.1276 16.1276 16.2274 16.2274 16.2318 16.2318 17.4612 17.4612 18.3218 18.3218 k = 0.1829 0.1056 0.0747 ( 3101 PWs) bands (ev): -35.3835 -35.3835 -14.3595 -14.3595 -13.8542 -13.8542 -13.8524 -13.8524 -0.5719 -0.5719 -0.5705 -0.5705 0.2488 0.2488 0.2740 0.2740 0.2784 0.2784 5.1999 5.1999 8.2879 8.2879 8.3209 8.3209 8.5966 8.5966 8.6303 8.6303 9.1568 9.1568 10.2475 10.2475 10.2512 10.2512 10.8158 10.8158 10.9063 10.9063 11.0359 11.0359 12.5078 12.5078 14.2850 14.2850 14.6686 14.6686 16.0859 16.0859 16.2058 16.2058 16.2088 16.2088 17.5617 17.5617 18.3765 18.3765 k = 0.1951 0.1127 0.0797 ( 3107 PWs) bands (ev): -35.3834 -35.3834 -14.3596 -14.3596 -13.8545 -13.8545 -13.8524 -13.8524 -0.5718 -0.5718 -0.5704 -0.5704 0.2488 0.2488 0.2741 0.2741 0.2790 0.2790 5.2511 5.2511 8.2890 8.2890 8.3260 8.3260 8.6066 8.6066 8.6441 8.6441 9.1654 9.1654 10.2407 10.2407 10.2459 10.2459 10.7910 10.7910 10.8720 10.8720 11.0096 11.0096 12.3587 12.3587 14.3003 14.3003 14.6781 14.6781 16.0459 16.0459 16.1869 16.1869 16.1884 16.1884 17.6398 17.6398 18.4262 18.4262 k = 0.2073 0.1197 0.0846 ( 3110 PWs) bands (ev): -35.3834 -35.3834 -14.3597 -14.3597 -13.8547 -13.8547 -13.8524 -13.8524 -0.5718 -0.5718 -0.5702 -0.5702 0.2488 0.2488 0.2742 0.2742 0.2797 0.2797 5.3053 5.3053 8.2905 8.2905 8.3316 8.3316 8.6170 8.6170 8.6582 8.6582 9.1745 9.1745 10.2334 10.2334 10.2405 10.2405 10.7583 10.7583 10.8424 10.8424 10.9826 10.9826 12.2116 12.2116 14.3157 14.3157 14.6864 14.6864 16.0078 16.0078 16.1710 16.1710 16.1711 16.1711 17.6805 17.6805 18.4648 18.4648 k = 0.2195 0.1267 0.0896 ( 3110 PWs) bands (ev): -35.3834 -35.3834 -14.3597 -14.3597 -13.8550 -13.8550 -13.8524 -13.8524 -0.5718 -0.5718 -0.5699 -0.5699 0.2489 0.2489 0.2744 0.2744 0.2804 0.2804 5.3622 5.3622 8.2922 8.2922 8.3377 8.3377 8.6278 8.6278 8.6725 8.6725 9.1840 9.1840 10.2257 10.2257 10.2348 10.2348 10.7178 10.7178 10.8172 10.8172 10.9551 10.9551 12.0675 12.0675 14.3308 14.3308 14.6931 14.6931 15.9717 15.9717 16.1568 16.1568 16.1583 16.1583 17.6736 17.6736 18.5039 18.5039 k = 0.2317 0.1338 0.0946 ( 3110 PWs) bands (ev): -35.3834 -35.3834 -14.3598 -14.3598 -13.8552 -13.8552 -13.8524 -13.8524 -0.5718 -0.5718 -0.5697 -0.5697 0.2491 0.2491 0.2745 0.2745 0.2810 0.2810 5.4218 5.4218 8.2942 8.2942 8.3443 8.3443 8.6390 8.6390 8.6869 8.6869 9.1938 9.1938 10.2176 10.2176 10.2290 10.2290 10.6712 10.6712 10.7944 10.7944 10.9272 10.9272 11.9273 11.9273 14.3452 14.3452 14.6980 14.6980 15.9375 15.9375 16.1462 16.1462 16.1489 16.1489 17.6235 17.6235 18.5650 18.5650 k = 0.2439 0.1408 0.0996 ( 3110 PWs) bands (ev): -35.3834 -35.3834 -14.3599 -14.3599 -13.8554 -13.8554 -13.8525 -13.8525 -0.5717 -0.5717 -0.5695 -0.5695 0.2492 0.2492 0.2746 0.2746 0.2817 0.2817 5.4840 5.4840 8.2963 8.2963 8.3513 8.3513 8.6505 8.6505 8.7014 8.7014 9.2036 9.2036 10.2091 10.2091 10.2230 10.2230 10.6203 10.6203 10.7722 10.7722 10.8989 10.8989 11.7921 11.7921 14.3587 14.3587 14.7011 14.7011 15.9054 15.9054 16.1393 16.1393 16.1428 16.1428 17.5446 17.5446 18.6200 18.6200 k = 0.2561 0.1479 0.1046 ( 3107 PWs) bands (ev): -35.3833 -35.3833 -14.3599 -14.3599 -13.8557 -13.8557 -13.8525 -13.8525 -0.5716 -0.5716 -0.5693 -0.5693 0.2494 0.2494 0.2748 0.2748 0.2824 0.2824 5.5485 5.5485 8.2985 8.2985 8.3587 8.3587 8.6625 8.6625 8.7159 8.7159 9.2135 9.2135 10.2003 10.2003 10.2168 10.2168 10.5657 10.5657 10.7497 10.7497 10.8706 10.8706 11.6628 11.6628 14.3711 14.3711 14.7023 14.7023 15.8751 15.8751 16.1362 16.1362 16.1401 16.1401 17.4499 17.4499 18.6542 18.6542 k = 0.2683 0.1549 0.1095 ( 3095 PWs) bands (ev): -35.3833 -35.3833 -14.3600 -14.3600 -13.8559 -13.8559 -13.8524 -13.8524 -0.5715 -0.5715 -0.5689 -0.5689 0.2496 0.2496 0.2750 0.2750 0.2832 0.2832 5.6153 5.6153 8.3006 8.3006 8.3664 8.3664 8.6749 8.6749 8.7303 8.7303 9.2231 9.2231 10.1913 10.1913 10.2106 10.2106 10.5077 10.5077 10.7261 10.7261 10.8422 10.8422 11.5405 11.5405 14.3824 14.3824 14.7015 14.7015 15.8468 15.8468 16.1371 16.1371 16.1409 16.1409 17.3476 17.3476 18.6740 18.6740 k = 0.2805 0.1619 0.1145 ( 3098 PWs) bands (ev): -35.3833 -35.3833 -14.3600 -14.3600 -13.8562 -13.8562 -13.8525 -13.8525 -0.5715 -0.5715 -0.5687 -0.5687 0.2497 0.2497 0.2751 0.2751 0.2839 0.2839 5.6842 5.6842 8.3024 8.3024 8.3744 8.3744 8.6876 8.6876 8.7446 8.7446 9.2323 9.2323 10.1822 10.1822 10.2043 10.2043 10.4464 10.4464 10.7012 10.7012 10.8141 10.8141 11.4263 11.4263 14.3922 14.3922 14.6989 14.6989 15.8202 15.8202 16.1417 16.1417 16.1451 16.1451 17.2428 17.2428 18.6782 18.6782 k = 0.2927 0.1690 0.1195 ( 3104 PWs) bands (ev): -35.3833 -35.3833 -14.3601 -14.3601 -13.8564 -13.8564 -13.8525 -13.8525 -0.5715 -0.5715 -0.5686 -0.5686 0.2498 0.2498 0.2752 0.2752 0.2845 0.2845 5.7550 5.7550 8.3039 8.3039 8.3826 8.3826 8.7006 8.7006 8.7588 8.7588 9.2408 9.2408 10.1730 10.1730 10.1980 10.1980 10.3819 10.3819 10.6747 10.6747 10.7862 10.7862 11.3211 11.3211 14.4008 14.4008 14.6944 14.6944 15.7954 15.7954 16.1499 16.1499 16.1525 16.1525 17.1381 17.1381 18.6657 18.6657 k = 0.3049 0.1760 0.1245 ( 3112 PWs) bands (ev): -35.3833 -35.3833 -14.3602 -14.3602 -13.8567 -13.8567 -13.8525 -13.8525 -0.5715 -0.5715 -0.5684 -0.5684 0.2498 0.2498 0.2753 0.2753 0.2850 0.2850 5.8274 5.8274 8.3047 8.3047 8.3910 8.3910 8.7139 8.7139 8.7727 8.7727 9.2483 9.2483 10.1638 10.1638 10.1917 10.1917 10.3142 10.3142 10.6465 10.6465 10.7589 10.7589 11.2259 11.2259 14.4079 14.4079 14.6884 14.6884 15.7723 15.7723 16.1615 16.1615 16.1630 16.1630 17.0355 17.0355 18.6379 18.6379 k = 0.3171 0.1831 0.1294 ( 3112 PWs) bands (ev): -35.3833 -35.3833 -14.3603 -14.3603 -13.8569 -13.8569 -13.8525 -13.8525 -0.5715 -0.5715 -0.5682 -0.5682 0.2500 0.2500 0.2754 0.2754 0.2857 0.2857 5.9013 5.9013 8.3047 8.3047 8.3994 8.3994 8.7275 8.7275 8.7863 8.7863 9.2547 9.2547 10.1548 10.1548 10.1855 10.1855 10.2439 10.2439 10.6166 10.6166 10.7321 10.7321 11.1411 11.1411 14.4138 14.4138 14.6811 14.6811 15.7509 15.7509 16.1761 16.1761 16.1765 16.1765 16.9360 16.9360 18.5985 18.5985 k = 0.3293 0.1901 0.1344 ( 3106 PWs) bands (ev): -35.3832 -35.3832 -14.3603 -14.3603 -13.8571 -13.8571 -13.8525 -13.8525 -0.5714 -0.5714 -0.5680 -0.5680 0.2501 0.2501 0.2756 0.2756 0.2863 0.2863 5.9763 5.9763 8.3035 8.3035 8.4078 8.4078 8.7411 8.7411 8.7995 8.7995 9.2596 9.2596 10.1445 10.1445 10.1731 10.1731 10.1794 10.1794 10.5854 10.5854 10.7062 10.7062 11.0666 11.0666 14.4185 14.4185 14.6726 14.6726 15.7311 15.7311 16.1926 16.1926 16.1933 16.1933 16.8407 16.8407 18.5516 18.5516 k = 0.3415 0.1971 0.1394 ( 3112 PWs) bands (ev): -35.3832 -35.3832 -14.3604 -14.3604 -13.8573 -13.8573 -13.8526 -13.8526 -0.5715 -0.5715 -0.5679 -0.5679 0.2501 0.2501 0.2757 0.2757 0.2868 0.2868 6.0521 6.0521 8.3010 8.3010 8.4162 8.4162 8.7546 8.7546 8.8123 8.8123 9.2628 9.2628 10.0949 10.0949 10.1411 10.1411 10.1734 10.1734 10.5532 10.5532 10.6811 10.6811 11.0021 11.0021 14.4220 14.4220 14.6633 14.6633 15.7128 15.7128 16.2110 16.2110 16.2128 16.2128 16.7500 16.7500 18.5002 18.5002 k = 0.3537 0.2042 0.1444 ( 3112 PWs) bands (ev): -35.3832 -35.3832 -14.3605 -14.3605 -13.8575 -13.8575 -13.8526 -13.8526 -0.5714 -0.5714 -0.5677 -0.5677 0.2502 0.2502 0.2758 0.2758 0.2874 0.2874 6.1284 6.1284 8.2967 8.2967 8.4243 8.4243 8.7679 8.7679 8.8245 8.8245 9.2640 9.2640 10.0222 10.0222 10.1333 10.1333 10.1676 10.1676 10.5206 10.5206 10.6572 10.6572 10.9466 10.9466 14.4245 14.4245 14.6534 14.6534 15.6961 15.6961 16.2313 16.2313 16.2339 16.2339 16.6646 16.6646 18.4467 18.4467 k = 0.3659 0.2112 0.1494 ( 3103 PWs) bands (ev): -35.3832 -35.3832 -14.3605 -14.3605 -13.8577 -13.8577 -13.8525 -13.8525 -0.5713 -0.5713 -0.5674 -0.5674 0.2504 0.2504 0.2760 0.2760 0.2881 0.2881 6.2045 6.2045 8.2904 8.2904 8.4322 8.4322 8.7807 8.7807 8.8362 8.8362 9.2633 9.2633 9.9505 9.9505 10.1272 10.1272 10.1620 10.1620 10.4882 10.4882 10.6345 10.6345 10.8991 10.8991 14.4261 14.4261 14.6433 14.6433 15.6808 15.6808 16.2531 16.2531 16.2563 16.2563 16.5848 16.5848 18.3929 18.3929 k = 0.3780 0.2183 0.1543 ( 3109 PWs) bands (ev): -35.3832 -35.3832 -14.3606 -14.3606 -13.8579 -13.8579 -13.8526 -13.8526 -0.5714 -0.5714 -0.5673 -0.5673 0.2504 0.2504 0.2761 0.2761 0.2885 0.2885 6.2800 6.2800 8.2818 8.2818 8.4398 8.4398 8.7925 8.7925 8.8472 8.8472 9.2607 9.2607 9.8819 9.8819 10.1225 10.1225 10.1567 10.1567 10.4565 10.4565 10.6131 10.6131 10.8584 10.8584 14.4270 14.4270 14.6331 14.6331 15.6671 15.6671 16.2759 16.2759 16.2794 16.2794 16.5110 16.5110 18.3399 18.3399 k = 0.3902 0.2253 0.1593 ( 3103 PWs) bands (ev): -35.3832 -35.3832 -14.3606 -14.3606 -13.8580 -13.8580 -13.8525 -13.8525 -0.5713 -0.5713 -0.5671 -0.5671 0.2506 0.2506 0.2762 0.2762 0.2890 0.2890 6.3542 6.3542 8.2706 8.2706 8.4469 8.4469 8.8033 8.8033 8.8575 8.8575 9.2565 9.2565 9.8178 9.8178 10.1193 10.1193 10.1517 10.1517 10.4260 10.4260 10.5933 10.5933 10.8236 10.8236 14.4274 14.4274 14.6232 14.6232 15.6547 15.6547 16.2991 16.2991 16.3026 16.3026 16.4436 16.4436 18.2888 18.2888 k = 0.4024 0.2323 0.1643 ( 3103 PWs) bands (ev): -35.3832 -35.3832 -14.3606 -14.3606 -13.8582 -13.8582 -13.8525 -13.8525 -0.5713 -0.5713 -0.5669 -0.5669 0.2507 0.2507 0.2763 0.2763 0.2894 0.2894 6.4263 6.4263 8.2569 8.2569 8.4536 8.4536 8.8126 8.8126 8.8670 8.8670 9.2513 9.2513 9.7592 9.7592 10.1177 10.1177 10.1471 10.1471 10.3972 10.3972 10.5751 10.5751 10.7937 10.7937 14.4272 14.4272 14.6137 14.6137 15.6437 15.6437 16.3214 16.3214 16.3254 16.3254 16.3836 16.3836 18.2404 18.2404 k = 0.4146 0.2394 0.1693 ( 3115 PWs) bands (ev): -35.3831 -35.3831 -14.3607 -14.3607 -13.8583 -13.8583 -13.8526 -13.8526 -0.5714 -0.5714 -0.5669 -0.5669 0.2507 0.2507 0.2763 0.2763 0.2897 0.2897 6.4953 6.4953 8.2406 8.2406 8.4596 8.4596 8.8200 8.8200 8.8755 8.8755 9.2457 9.2457 9.7069 9.7069 10.1177 10.1177 10.1429 10.1429 10.3703 10.3703 10.5587 10.5587 10.7681 10.7681 14.4268 14.4268 14.6048 14.6048 15.6341 15.6341 16.3222 16.3222 16.3472 16.3472 16.3511 16.3511 18.1953 18.1953 k = 0.4268 0.2464 0.1743 ( 3115 PWs) bands (ev): -35.3831 -35.3831 -14.3607 -14.3607 -13.8585 -13.8585 -13.8526 -13.8526 -0.5714 -0.5714 -0.5668 -0.5668 0.2508 0.2508 0.2763 0.2763 0.2900 0.2900 6.5600 6.5600 8.2223 8.2223 8.4650 8.4650 8.8256 8.8256 8.8831 8.8831 9.2407 9.2407 9.6612 9.6612 10.1194 10.1194 10.1391 10.1391 10.3455 10.3455 10.5442 10.5442 10.7465 10.7465 14.4261 14.4261 14.5968 14.5968 15.6259 15.6259 16.2781 16.2781 16.3675 16.3675 16.3691 16.3691 18.1545 18.1545 k = 0.4390 0.2535 0.1792 ( 3115 PWs) bands (ev): -35.3831 -35.3831 -14.3608 -14.3608 -13.8586 -13.8586 -13.8526 -13.8526 -0.5714 -0.5714 -0.5667 -0.5667 0.2508 0.2508 0.2764 0.2764 0.2903 0.2903 6.6191 6.6191 8.2029 8.2029 8.4697 8.4697 8.8293 8.8293 8.8897 8.8897 9.2370 9.2370 9.6222 9.6222 10.1226 10.1226 10.1359 10.1359 10.3230 10.3230 10.5318 10.5318 10.7284 10.7284 14.4254 14.4254 14.5897 14.5897 15.6189 15.6189 16.2381 16.2381 16.3858 16.3858 16.3884 16.3884 18.1184 18.1184 k = 0.4512 0.2605 0.1842 ( 3115 PWs) bands (ev): -35.3831 -35.3831 -14.3608 -14.3608 -13.8586 -13.8586 -13.8526 -13.8526 -0.5714 -0.5714 -0.5666 -0.5666 0.2509 0.2509 0.2764 0.2764 0.2906 0.2906 6.6710 6.6710 8.1835 8.1835 8.4736 8.4736 8.8314 8.8314 8.8952 8.8952 9.2349 9.2349 9.5898 9.5898 10.1269 10.1269 10.1332 10.1332 10.3031 10.3031 10.5214 10.5214 10.7137 10.7137 14.4246 14.4246 14.5838 14.5838 15.6133 15.6133 16.2049 16.2049 16.4015 16.4015 16.4054 16.4054 18.0878 18.0878 k = 0.4634 0.2676 0.1892 ( 3121 PWs) bands (ev): -35.3831 -35.3831 -14.3608 -14.3608 -13.8587 -13.8587 -13.8526 -13.8526 -0.5715 -0.5715 -0.5666 -0.5666 0.2509 0.2509 0.2764 0.2764 0.2907 0.2907 6.7140 6.7140 8.1658 8.1658 8.4767 8.4767 8.8322 8.8322 8.8995 8.8995 9.2342 9.2342 9.5642 9.5642 10.1310 10.1310 10.1318 10.1318 10.2862 10.2862 10.5133 10.5133 10.7024 10.7024 14.4240 14.4240 14.5791 14.5791 15.6090 15.6090 16.1789 16.1789 16.4143 16.4143 16.4194 16.4194 18.0633 18.0633 k = 0.4756 0.2746 0.1942 ( 3121 PWs) bands (ev): -35.3831 -35.3831 -14.3608 -14.3608 -13.8588 -13.8588 -13.8526 -13.8526 -0.5714 -0.5714 -0.5665 -0.5665 0.2509 0.2509 0.2764 0.2764 0.2908 0.2908 6.7462 6.7462 8.1514 8.1514 8.4790 8.4790 8.8324 8.8324 8.9026 8.9026 9.2346 9.2346 9.5456 9.5456 10.1295 10.1295 10.1366 10.1366 10.2730 10.2730 10.5074 10.5074 10.6943 10.6943 14.4235 14.4235 14.5756 14.5756 15.6059 15.6059 16.1603 16.1603 16.4236 16.4236 16.4299 16.4299 18.0454 18.0454 k = 0.4878 0.2816 0.1991 ( 3109 PWs) bands (ev): -35.3831 -35.3831 -14.3608 -14.3608 -13.8588 -13.8588 -13.8526 -13.8526 -0.5714 -0.5714 -0.5663 -0.5663 0.2510 0.2510 0.2766 0.2766 0.2909 0.2909 6.7663 6.7663 8.1420 8.1420 8.4803 8.4803 8.8323 8.8323 8.9045 8.9045 9.2352 9.2352 9.5342 9.5342 10.1285 10.1285 10.1403 10.1403 10.2644 10.2644 10.5039 10.5039 10.6894 10.6894 14.4232 14.4232 14.5736 14.5736 15.6040 15.6040 16.1491 16.1491 16.4294 16.4294 16.4363 16.4363 18.0345 18.0345 k = 0.5000 0.2887 0.2041 ( 3100 PWs) bands (ev): -35.3831 -35.3831 -14.3608 -14.3608 -13.8588 -13.8588 -13.8525 -13.8525 -0.5713 -0.5713 -0.5663 -0.5663 0.2511 0.2511 0.2767 0.2767 0.2911 0.2911 6.7732 6.7732 8.1387 8.1387 8.4808 8.4808 8.8322 8.8322 8.9052 8.9052 9.2355 9.2355 9.5303 9.5303 10.1283 10.1283 10.1416 10.1416 10.2614 10.2614 10.5027 10.5027 10.6878 10.6878 14.4231 14.4231 14.5729 14.5729 15.6034 15.6034 16.1453 16.1453 16.4313 16.4313 16.4385 16.4385 18.0308 18.0308 k = 0.5000 0.2887 0.2041 ( 3100 PWs) bands (ev): -35.3831 -35.3831 -14.3608 -14.3608 -13.8588 -13.8588 -13.8525 -13.8525 -0.5713 -0.5713 -0.5663 -0.5663 0.2511 0.2511 0.2767 0.2767 0.2911 0.2911 6.7732 6.7732 8.1387 8.1387 8.4808 8.4808 8.8322 8.8322 8.9052 8.9052 9.2355 9.2355 9.5303 9.5303 10.1283 10.1283 10.1416 10.1416 10.2614 10.2614 10.5027 10.5027 10.6878 10.6878 14.4231 14.4231 14.5729 14.5729 15.6034 15.6034 16.1453 16.1453 16.4313 16.4313 16.4385 16.4385 18.0308 18.0309 k = 0.5043 0.2762 0.2112 ( 3115 PWs) bands (ev): -35.3831 -35.3831 -14.3608 -14.3608 -13.8588 -13.8588 -13.8526 -13.8526 -0.5714 -0.5714 -0.5664 -0.5664 0.2510 0.2510 0.2765 0.2765 0.2909 0.2909 6.7738 6.7738 8.1395 8.1395 8.4810 8.4810 8.8304 8.8304 8.9067 8.9067 9.2353 9.2353 9.5304 9.5304 10.1278 10.1278 10.1407 10.1407 10.2637 10.2637 10.5032 10.5032 10.6885 10.6885 14.4155 14.4155 14.5634 14.5634 15.6176 15.6176 16.1428 16.1428 16.4321 16.4321 16.4391 16.4391 18.0197 18.0197 k = 0.5086 0.2638 0.2182 ( 3115 PWs) bands (ev): -35.3831 -35.3831 -14.3608 -14.3608 -13.8588 -13.8588 -13.8526 -13.8526 -0.5714 -0.5714 -0.5665 -0.5665 0.2510 0.2510 0.2765 0.2765 0.2909 0.2909 6.7756 6.7756 8.1419 8.1419 8.4815 8.4815 8.8253 8.8253 8.9109 8.9109 9.2346 9.2346 9.5309 9.5309 10.1255 10.1255 10.1397 10.1397 10.2702 10.2702 10.5046 10.5046 10.6906 10.6906 14.3900 14.3900 14.5406 14.5406 15.6571 15.6571 16.1350 16.1350 16.4315 16.4315 16.4440 16.4440 17.9875 17.9875 k = 0.5129 0.2513 0.2252 ( 3117 PWs) bands (ev): -35.3831 -35.3831 -14.3608 -14.3608 -13.8588 -13.8588 -13.8526 -13.8526 -0.5714 -0.5714 -0.5665 -0.5665 0.2509 0.2509 0.2766 0.2766 0.2908 0.2908 6.7787 6.7787 8.1458 8.1458 8.4824 8.4824 8.8179 8.8179 8.9169 8.9169 9.2336 9.2336 9.5315 9.5315 10.1198 10.1198 10.1410 10.1410 10.2800 10.2800 10.5069 10.5069 10.6942 10.6942 14.3412 14.3412 14.5157 14.5157 15.7147 15.7147 16.1221 16.1221 16.4280 16.4280 16.4562 16.4562 17.9374 17.9374 k = 0.5172 0.2389 0.2323 ( 3111 PWs) bands (ev): -35.3831 -35.3831 -14.3608 -14.3608 -13.8588 -13.8588 -13.8527 -13.8527 -0.5714 -0.5714 -0.5665 -0.5665 0.2510 0.2510 0.2767 0.2767 0.2907 0.2907 6.7830 6.7830 8.1511 8.1511 8.4835 8.4835 8.8091 8.8091 8.9239 8.9239 9.2324 9.2324 9.5325 9.5325 10.1116 10.1116 10.1446 10.1446 10.2919 10.2919 10.5103 10.5103 10.6991 10.6991 14.2695 14.2695 14.4948 14.4948 15.7811 15.7811 16.1044 16.1044 16.4226 16.4226 16.4766 16.4766 17.8733 17.8733 k = 0.5216 0.2265 0.2393 ( 3111 PWs) bands (ev): -35.3831 -35.3831 -14.3608 -14.3608 -13.8587 -13.8587 -13.8527 -13.8527 -0.5714 -0.5714 -0.5666 -0.5666 0.2510 0.2510 0.2767 0.2767 0.2905 0.2905 6.7885 6.7885 8.1576 8.1576 8.4849 8.4849 8.7994 8.7994 8.9313 8.9313 9.2311 9.2311 9.5336 9.5336 10.1021 10.1021 10.1499 10.1499 10.3051 10.3051 10.5149 10.5149 10.7054 10.7054 14.1810 14.1810 14.4770 14.4770 15.8456 15.8456 16.0844 16.0844 16.4157 16.4157 16.5073 16.5073 17.7997 17.7997 k = 0.5259 0.2140 0.2464 ( 3111 PWs) bands (ev): -35.3831 -35.3831 -14.3608 -14.3608 -13.8587 -13.8587 -13.8528 -13.8528 -0.5715 -0.5715 -0.5666 -0.5666 0.2510 0.2510 0.2768 0.2768 0.2903 0.2903 6.7953 6.7953 8.1651 8.1651 8.4864 8.4864 8.7892 8.7892 8.9386 8.9386 9.2300 9.2300 9.5350 9.5350 10.0922 10.0922 10.1568 10.1568 10.3190 10.3190 10.5207 10.5207 10.7132 10.7132 14.0817 14.0817 14.4599 14.4599 15.8929 15.8929 16.0707 16.0707 16.4076 16.4076 16.5507 16.5507 17.7205 17.7205 k = 0.5302 0.2016 0.2534 ( 3109 PWs) bands (ev): -35.3831 -35.3831 -14.3608 -14.3608 -13.8587 -13.8587 -13.8528 -13.8528 -0.5715 -0.5715 -0.5667 -0.5667 0.2509 0.2509 0.2769 0.2769 0.2901 0.2901 6.8032 6.8032 8.1735 8.1735 8.4878 8.4878 8.7790 8.7790 8.9458 8.9458 9.2293 9.2293 9.5367 9.5367 10.0822 10.0822 10.1650 10.1650 10.3330 10.3330 10.5279 10.5279 10.7223 10.7223 13.9758 13.9758 14.4421 14.4421 15.9021 15.9021 16.0793 16.0793 16.3985 16.3985 16.6086 16.6086 17.6393 17.6393 k = 0.5345 0.1891 0.2604 ( 3105 PWs) bands (ev): -35.3831 -35.3831 -14.3608 -14.3608 -13.8586 -13.8586 -13.8529 -13.8529 -0.5715 -0.5715 -0.5668 -0.5668 0.2510 0.2510 0.2770 0.2770 0.2899 0.2899 6.8122 6.8122 8.1825 8.1825 8.4892 8.4892 8.7690 8.7690 8.9524 8.9524 9.2294 9.2294 9.5386 9.5386 10.0725 10.0725 10.1747 10.1747 10.3467 10.3467 10.5365 10.5365 10.7328 10.7328 13.8656 13.8656 14.4231 14.4231 15.8719 15.8719 16.1091 16.1091 16.3886 16.3886 16.6806 16.6806 17.5592 17.5592 k = 0.5388 0.1767 0.2675 ( 3106 PWs) bands (ev): -35.3831 -35.3831 -14.3608 -14.3608 -13.8586 -13.8586 -13.8530 -13.8530 -0.5715 -0.5715 -0.5669 -0.5669 0.2509 0.2509 0.2770 0.2770 0.2896 0.2896 6.8224 6.8224 8.1917 8.1917 8.4902 8.4902 8.7594 8.7594 8.9585 8.9585 9.2306 9.2306 9.5407 9.5407 10.0631 10.0631 10.1856 10.1856 10.3601 10.3601 10.5465 10.5465 10.7448 10.7448 13.7526 13.7526 14.4023 14.4023 15.8196 15.8196 16.1434 16.1434 16.3781 16.3781 16.7643 16.7643 17.4833 17.4833 k = 0.5431 0.1642 0.2745 ( 3112 PWs) bands (ev): -35.3831 -35.3831 -14.3609 -14.3609 -13.8585 -13.8585 -13.8531 -13.8531 -0.5716 -0.5716 -0.5671 -0.5671 0.2508 0.2508 0.2771 0.2771 0.2893 0.2893 6.8337 6.8337 8.2009 8.2009 8.4906 8.4906 8.7505 8.7505 8.9638 8.9638 9.2332 9.2332 9.5432 9.5432 10.0541 10.0541 10.1978 10.1978 10.3728 10.3728 10.5578 10.5578 10.7582 10.7582 13.6378 13.6378 14.3795 14.3795 15.7548 15.7548 16.1747 16.1747 16.3674 16.3674 16.8548 16.8548 17.4146 17.4146 k = 0.5474 0.1518 0.2816 ( 3111 PWs) bands (ev): -35.3831 -35.3831 -14.3609 -14.3609 -13.8585 -13.8585 -13.8532 -13.8532 -0.5717 -0.5717 -0.5672 -0.5672 0.2508 0.2508 0.2772 0.2772 0.2891 0.2891 6.8461 6.8461 8.2098 8.2098 8.4903 8.4903 8.7425 8.7425 8.9682 8.9682 9.2377 9.2377 9.5461 9.5461 10.0458 10.0458 10.2112 10.2112 10.3850 10.3850 10.5702 10.5702 10.7732 10.7732 13.5220 13.5220 14.3548 14.3548 15.6817 15.6817 16.2018 16.2018 16.3567 16.3567 16.9446 16.9446 17.3582 17.3582 k = 0.5517 0.1394 0.2886 ( 3110 PWs) bands (ev): -35.3831 -35.3831 -14.3609 -14.3609 -13.8584 -13.8584 -13.8533 -13.8533 -0.5717 -0.5717 -0.5673 -0.5673 0.2507 0.2507 0.2772 0.2772 0.2888 0.2888 6.8594 6.8594 8.2181 8.2181 8.4889 8.4889 8.7356 8.7356 8.9717 8.9717 9.2442 9.2442 9.5493 9.5493 10.0380 10.0380 10.2258 10.2258 10.3969 10.3969 10.5834 10.5834 10.7897 10.7897 13.4057 13.4057 14.3281 14.3281 15.6026 15.6026 16.2254 16.2254 16.3466 16.3466 17.0197 17.0197 17.3250 17.3250 k = 0.5560 0.1269 0.2956 ( 3116 PWs) bands (ev): -35.3831 -35.3831 -14.3609 -14.3609 -13.8584 -13.8584 -13.8535 -13.8535 -0.5718 -0.5718 -0.5675 -0.5675 0.2506 0.2506 0.2773 0.2773 0.2885 0.2885 6.8737 6.8737 8.2255 8.2255 8.4863 8.4863 8.7300 8.7300 8.9743 8.9743 9.2529 9.2529 9.5531 9.5531 10.0310 10.0310 10.2415 10.2415 10.4085 10.4085 10.5972 10.5972 10.8078 10.8078 13.2892 13.2892 14.2994 14.2994 15.5192 15.5192 16.2457 16.2457 16.3377 16.3377 17.0568 17.0568 17.3351 17.3351 k = 0.5603 0.1145 0.3027 ( 3116 PWs) bands (ev): -35.3831 -35.3831 -14.3609 -14.3609 -13.8583 -13.8583 -13.8536 -13.8536 -0.5719 -0.5719 -0.5677 -0.5677 0.2505 0.2505 0.2774 0.2774 0.2882 0.2882 6.8888 6.8888 8.2316 8.2316 8.4824 8.4824 8.7256 8.7256 8.9758 8.9758 9.2641 9.2641 9.5576 9.5576 10.0246 10.0246 10.2582 10.2582 10.4201 10.4201 10.6110 10.6110 10.8275 10.8275 13.1730 13.1730 14.2687 14.2687 15.4333 15.4333 16.2625 16.2625 16.3310 16.3310 17.0491 17.0491 17.3474 17.3474 k = 0.5647 0.1020 0.3097 ( 3119 PWs) bands (ev): -35.3830 -35.3830 -14.3609 -14.3609 -13.8583 -13.8583 -13.8537 -13.8537 -0.5720 -0.5720 -0.5679 -0.5679 0.2503 0.2503 0.2774 0.2774 0.2880 0.2880 6.9048 6.9048 8.2363 8.2363 8.4773 8.4773 8.7225 8.7225 8.9766 8.9766 9.2776 9.2776 9.5627 9.5627 10.0189 10.0189 10.2758 10.2758 10.4321 10.4321 10.6247 10.6247 10.8487 10.8487 13.0572 13.0572 14.2362 14.2362 15.3460 15.3460 16.2745 16.2745 16.3288 16.3288 17.0189 17.0189 17.2736 17.2736 k = 0.5690 0.0896 0.3167 ( 3115 PWs) bands (ev): -35.3830 -35.3830 -14.3609 -14.3609 -13.8582 -13.8582 -13.8539 -13.8539 -0.5721 -0.5721 -0.5680 -0.5680 0.2503 0.2503 0.2774 0.2774 0.2878 0.2878 6.9214 6.9214 8.2393 8.2393 8.4710 8.4710 8.7206 8.7206 8.9766 8.9766 9.2933 9.2933 9.5686 9.5686 10.0140 10.0140 10.2943 10.2943 10.4448 10.4448 10.6381 10.6381 10.8713 10.8713 12.9424 12.9424 14.2021 14.2021 15.2587 15.2587 16.2797 16.2797 16.3335 16.3335 16.9821 16.9821 17.1990 17.1990 k = 0.5733 0.0771 0.3238 ( 3113 PWs) bands (ev): -35.3830 -35.3830 -14.3609 -14.3609 -13.8581 -13.8581 -13.8540 -13.8540 -0.5721 -0.5721 -0.5681 -0.5681 0.2501 0.2501 0.2775 0.2775 0.2877 0.2877 6.9385 6.9385 8.2402 8.2402 8.4638 8.4638 8.7195 8.7195 8.9761 8.9761 9.3110 9.3110 9.5755 9.5755 10.0098 10.0098 10.3134 10.3134 10.4584 10.4584 10.6510 10.6510 10.8949 10.8949 12.8290 12.8290 14.1664 14.1664 15.1724 15.1724 16.2792 16.2792 16.3443 16.3443 16.9446 16.9446 17.1269 17.1269 k = 0.5776 0.0647 0.3308 ( 3117 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8581 -13.8581 -13.8541 -13.8541 -0.5723 -0.5723 -0.5682 -0.5682 0.2500 0.2500 0.2774 0.2774 0.2875 0.2875 6.9560 6.9560 8.2389 8.2389 8.4562 8.4562 8.7191 8.7191 8.9753 8.9753 9.3301 9.3301 9.5834 9.5834 10.0064 10.0064 10.3331 10.3331 10.4731 10.4731 10.6634 10.6634 10.9193 10.9193 12.7174 12.7174 14.1292 14.1292 15.0880 15.0880 16.2765 16.2765 16.3579 16.3579 16.9085 16.9085 17.0573 17.0573 k = 0.5819 0.0523 0.3379 ( 3125 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8581 -13.8581 -13.8542 -13.8542 -0.5725 -0.5725 -0.5684 -0.5684 0.2498 0.2498 0.2773 0.2773 0.2873 0.2873 6.9738 6.9738 8.2352 8.2352 8.4485 8.4485 8.7191 8.7191 8.9742 8.9742 9.3503 9.3503 9.5924 9.5924 10.0039 10.0039 10.3534 10.3534 10.4892 10.4892 10.6754 10.6754 10.9440 10.9440 12.6084 12.6084 14.0908 14.0908 15.0063 15.0063 16.2736 16.2736 16.3723 16.3723 16.8748 16.8748 16.9903 16.9903 k = 0.5862 0.0398 0.3449 ( 3123 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8580 -13.8580 -13.8543 -13.8543 -0.5726 -0.5726 -0.5684 -0.5684 0.2496 0.2496 0.2773 0.2773 0.2872 0.2872 6.9917 6.9917 8.2289 8.2289 8.4412 8.4412 8.7193 8.7193 8.9731 8.9731 9.3711 9.3711 9.6024 9.6024 10.0021 10.0021 10.3740 10.3740 10.5068 10.5068 10.6874 10.6874 10.9684 10.9684 12.5027 12.5027 14.0514 14.0514 14.9277 14.9277 16.2715 16.2715 16.3865 16.3865 16.8439 16.8439 16.9261 16.9261 k = 0.5905 0.0274 0.3519 ( 3125 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8580 -13.8580 -13.8544 -13.8544 -0.5728 -0.5728 -0.5685 -0.5685 0.2495 0.2495 0.2772 0.2772 0.2872 0.2872 7.0094 7.0094 8.2198 8.2198 8.4347 8.4347 8.7194 8.7194 8.9722 8.9722 9.3918 9.3918 9.6135 9.6135 10.0011 10.0011 10.3949 10.3949 10.5257 10.5257 10.6997 10.6997 10.9917 10.9917 12.4013 12.4013 14.0110 14.0110 14.8529 14.8529 16.2706 16.2706 16.4000 16.4000 16.8156 16.8156 16.8651 16.8651 k = 0.5948 0.0149 0.3590 ( 3124 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8579 -13.8579 -13.8545 -13.8545 -0.5729 -0.5729 -0.5686 -0.5686 0.2493 0.2493 0.2772 0.2772 0.2872 0.2872 7.0267 7.0267 8.2080 8.2080 8.4291 8.4291 8.7194 8.7194 8.9716 8.9716 9.4122 9.4122 9.6254 9.6254 10.0008 10.0008 10.4160 10.4160 10.5459 10.5459 10.7130 10.7130 11.0130 11.0130 12.3055 12.3055 13.9701 13.9701 14.7820 14.7820 16.2712 16.2712 16.4120 16.4120 16.7865 16.7865 16.8111 16.8111 k = 0.5991 0.0025 0.3660 ( 3122 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8579 -13.8579 -13.8546 -13.8546 -0.5731 -0.5731 -0.5686 -0.5686 0.2491 0.2491 0.2771 0.2771 0.2873 0.2873 7.0434 7.0434 8.1936 8.1936 8.4247 8.4247 8.7192 8.7192 8.9713 8.9713 9.4317 9.4317 9.6380 9.6380 10.0013 10.0013 10.4370 10.4370 10.5667 10.5667 10.7282 10.7282 11.0311 11.0311 12.2168 12.2168 13.9286 13.9286 14.7153 14.7153 16.2734 16.2734 16.4222 16.4222 16.7410 16.7410 16.7803 16.7803 k = 0.6034-0.0100 0.3731 ( 3124 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8579 -13.8579 -13.8546 -13.8546 -0.5733 -0.5733 -0.5687 -0.5687 0.2490 0.2490 0.2769 0.2769 0.2874 0.2874 7.0592 7.0592 8.1768 8.1768 8.4216 8.4216 8.7186 8.7186 8.9717 8.9717 9.4501 9.4501 9.6507 9.6507 10.0024 10.0024 10.4579 10.4579 10.5874 10.5874 10.7466 10.7466 11.0445 11.0445 12.1370 12.1370 13.8869 13.8869 14.6529 14.6529 16.2772 16.2772 16.4300 16.4300 16.6882 16.6882 16.7641 16.7641 k = 0.6078-0.0224 0.3801 ( 3122 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8579 -13.8579 -13.8547 -13.8547 -0.5734 -0.5734 -0.5687 -0.5687 0.2488 0.2488 0.2768 0.2768 0.2875 0.2875 7.0737 7.0737 8.1578 8.1578 8.4197 8.4197 8.7177 8.7177 8.9726 8.9726 9.4673 9.4673 9.6633 9.6633 10.0041 10.0041 10.4782 10.4782 10.6073 10.6073 10.7696 10.7696 11.0518 11.0518 12.0682 12.0682 13.8451 13.8451 14.5948 14.5948 16.2827 16.2827 16.4350 16.4350 16.6366 16.6366 16.7543 16.7543 k = 0.6121-0.0348 0.3871 ( 3118 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8579 -13.8579 -13.8547 -13.8547 -0.5736 -0.5736 -0.5686 -0.5686 0.2486 0.2486 0.2767 0.2767 0.2877 0.2877 7.0866 7.0866 8.1369 8.1369 8.4191 8.4191 8.7164 8.7164 8.9742 8.9742 9.4834 9.4834 9.6751 9.6751 10.0063 10.0063 10.4974 10.4974 10.6257 10.6257 10.7980 10.7980 11.0515 11.0515 12.0124 12.0124 13.8034 13.8034 14.5409 14.5409 16.2897 16.2897 16.4373 16.4373 16.5873 16.5873 16.7501 16.7501 k = 0.6164-0.0473 0.3942 ( 3116 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8579 -13.8579 -13.8547 -13.8547 -0.5737 -0.5737 -0.5686 -0.5686 0.2485 0.2485 0.2765 0.2765 0.2878 0.2878 7.0976 7.0976 8.1145 8.1145 8.4198 8.4198 8.7147 8.7147 8.9765 8.9765 9.4983 9.4983 9.6858 9.6858 10.0088 10.0088 10.5151 10.5151 10.6425 10.6425 10.8326 10.8326 11.0425 11.0425 11.9714 11.9714 13.7621 13.7621 14.4912 14.4912 16.2981 16.2981 16.4371 16.4371 16.5410 16.5410 16.7511 16.7511 k = 0.6207-0.0597 0.4012 ( 3108 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8579 -13.8579 -13.8547 -13.8547 -0.5739 -0.5739 -0.5685 -0.5685 0.2483 0.2483 0.2765 0.2765 0.2880 0.2880 7.1062 7.1062 8.0908 8.0908 8.4218 8.4218 8.7127 8.7127 8.9796 8.9796 9.5122 9.5122 9.6950 9.6950 10.0115 10.0115 10.5305 10.5305 10.6583 10.6583 10.8727 10.8727 11.0251 11.0251 11.9461 11.9461 13.7212 13.7212 14.4454 14.4454 16.3072 16.3072 16.4347 16.4347 16.4982 16.4982 16.7567 16.7567 k = 0.6250-0.0722 0.4082 ( 3108 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8579 -13.8579 -13.8547 -13.8547 -0.5741 -0.5741 -0.5684 -0.5684 0.2481 0.2481 0.2764 0.2764 0.2882 0.2882 7.1119 7.1119 8.0663 8.0663 8.4251 8.4251 8.7103 8.7103 8.9834 8.9834 9.5250 9.5250 9.7025 9.7025 10.0142 10.0142 10.5430 10.5430 10.6739 10.6739 10.9159 10.9159 11.0022 11.0022 11.9363 11.9363 13.6811 13.6811 14.4034 14.4034 16.3160 16.3160 16.4303 16.4303 16.4611 16.4611 16.7662 16.7662 k = 0.6250-0.0722 0.4082 ( 3108 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8579 -13.8579 -13.8547 -13.8547 -0.5741 -0.5741 -0.5684 -0.5684 0.2481 0.2481 0.2764 0.2764 0.2882 0.2882 7.1119 7.1119 8.0663 8.0663 8.4251 8.4251 8.7103 8.7103 8.9834 8.9834 9.5250 9.5250 9.7025 9.7025 10.0142 10.0142 10.5430 10.5430 10.6739 10.6739 10.9159 10.9159 11.0022 11.0022 11.9363 11.9363 13.6811 13.6811 14.4034 14.4034 16.3160 16.3160 16.4303 16.4303 16.4611 16.4611 16.7662 16.7662 k = 0.6176-0.0679 0.4203 ( 3110 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8579 -13.8579 -13.8547 -13.8547 -0.5741 -0.5741 -0.5685 -0.5685 0.2481 0.2481 0.2764 0.2764 0.2881 0.2881 7.1124 7.1124 8.0666 8.0666 8.4251 8.4251 8.7099 8.7099 8.9836 8.9836 9.5201 9.5201 9.7079 9.7079 10.0142 10.0142 10.5423 10.5423 10.6691 10.6691 10.9194 10.9194 11.0068 11.0068 11.9363 11.9363 13.6560 13.6560 14.4255 14.4255 16.3100 16.3100 16.4332 16.4332 16.4592 16.4592 16.7670 16.7670 k = 0.6103-0.0637 0.4323 ( 3112 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8579 -13.8579 -13.8547 -13.8547 -0.5741 -0.5741 -0.5685 -0.5685 0.2481 0.2481 0.2764 0.2764 0.2881 0.2881 7.1137 7.1137 8.0678 8.0678 8.4249 8.4249 8.7089 8.7089 8.9845 8.9845 9.5069 9.5069 9.7224 9.7224 10.0143 10.0143 10.5399 10.5399 10.6567 10.6567 10.9279 10.9279 11.0208 11.0208 11.9366 11.9366 13.5883 13.5883 14.4843 14.4843 16.2937 16.2937 16.4378 16.4378 16.4560 16.4560 16.7691 16.7691 k = 0.6029-0.0594 0.4443 ( 3120 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8579 -13.8579 -13.8548 -13.8548 -0.5741 -0.5741 -0.5686 -0.5686 0.2480 0.2480 0.2765 0.2765 0.2879 0.2879 7.1160 7.1160 8.0696 8.0696 8.4244 8.4244 8.7071 8.7071 8.9860 8.9860 9.4884 9.4884 9.7430 9.7430 10.0144 10.0144 10.5349 10.5349 10.6409 10.6409 10.9381 10.9381 11.0445 11.0445 11.9370 11.9370 13.4927 13.4927 14.5651 14.5651 16.2705 16.2705 16.4324 16.4324 16.4610 16.4610 16.7719 16.7719 k = 0.5956-0.0552 0.4563 ( 3120 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8579 -13.8579 -13.8548 -13.8548 -0.5740 -0.5740 -0.5687 -0.5687 0.2480 0.2480 0.2766 0.2766 0.2877 0.2877 7.1190 7.1190 8.0722 8.0722 8.4238 8.4238 8.7048 8.7048 8.9883 8.9883 9.4669 9.4669 9.7670 9.7670 10.0145 10.0145 10.5258 10.5258 10.6261 10.6261 10.9481 10.9481 11.0767 11.0767 11.9377 11.9377 13.3806 13.3806 14.6568 14.6568 16.2425 16.2425 16.4189 16.4189 16.4714 16.4714 16.7747 16.7747 k = 0.5882-0.0509 0.4683 ( 3128 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8579 -13.8579 -13.8549 -13.8549 -0.5740 -0.5740 -0.5688 -0.5688 0.2480 0.2480 0.2766 0.2766 0.2876 0.2876 7.1228 7.1228 8.0755 8.0755 8.4227 8.4227 8.7021 8.7021 8.9916 8.9916 9.4439 9.4439 9.7925 9.7925 10.0146 10.0146 10.5117 10.5117 10.6154 10.6154 10.9582 10.9582 11.1152 11.1152 11.9385 11.9385 13.2590 13.2590 14.7528 14.7528 16.2109 16.2109 16.4025 16.4025 16.4821 16.4821 16.7768 16.7768 k = 0.5809-0.0467 0.4803 ( 3127 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8578 -13.8578 -13.8549 -13.8549 -0.5739 -0.5739 -0.5689 -0.5689 0.2480 0.2480 0.2768 0.2768 0.2874 0.2874 7.1273 7.1273 8.0794 8.0794 8.4212 8.4212 8.6990 8.6990 8.9960 8.9960 9.4202 9.4202 9.8184 9.8184 10.0148 10.0148 10.4933 10.4933 10.6096 10.6096 10.9690 10.9690 11.1581 11.1581 11.9394 11.9394 13.1320 13.1320 14.8494 14.8494 16.1763 16.1763 16.3851 16.3851 16.4919 16.4919 16.7779 16.7779 k = 0.5735-0.0425 0.4923 ( 3127 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8578 -13.8578 -13.8550 -13.8550 -0.5738 -0.5738 -0.5690 -0.5690 0.2480 0.2480 0.2770 0.2770 0.2872 0.2872 7.1323 7.1323 8.0840 8.0840 8.4192 8.4192 8.6958 8.6958 9.0018 9.0018 9.3960 9.3960 9.8437 9.8437 10.0149 10.0149 10.4723 10.4723 10.6076 10.6076 10.9810 10.9810 11.2041 11.2041 11.9406 11.9406 13.0022 13.0022 14.9444 14.9444 16.1393 16.1393 16.3676 16.3676 16.5005 16.5005 16.7776 16.7776 k = 0.5662-0.0382 0.5043 ( 3129 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8578 -13.8578 -13.8550 -13.8550 -0.5737 -0.5737 -0.5691 -0.5691 0.2480 0.2480 0.2772 0.2772 0.2869 0.2869 7.1378 7.1378 8.0890 8.0890 8.4166 8.4166 8.6926 8.6926 9.0090 9.0090 9.3717 9.3717 9.8678 9.8678 10.0151 10.0151 10.4508 10.4508 10.6079 10.6079 10.9947 10.9947 11.2522 11.2522 11.9420 11.9420 12.8715 12.8715 15.0365 15.0365 16.1000 16.1000 16.3510 16.3510 16.5076 16.5076 16.7758 16.7758 k = 0.5588-0.0340 0.5163 ( 3122 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8577 -13.8577 -13.8551 -13.8551 -0.5735 -0.5735 -0.5692 -0.5692 0.2481 0.2481 0.2775 0.2775 0.2868 0.2868 7.1436 7.1436 8.0945 8.0945 8.4135 8.4135 8.6895 8.6895 9.0179 9.0179 9.3472 9.3472 9.8903 9.8903 10.0151 10.0151 10.4299 10.4299 10.6097 10.6097 11.0104 11.0104 11.3020 11.3020 11.9435 11.9435 12.7416 12.7416 15.1250 15.1250 16.0588 16.0588 16.3358 16.3358 16.5134 16.5134 16.7728 16.7728 k = 0.5515-0.0297 0.5283 ( 3117 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8577 -13.8577 -13.8551 -13.8551 -0.5734 -0.5734 -0.5692 -0.5692 0.2482 0.2482 0.2778 0.2778 0.2866 0.2866 7.1496 7.1496 8.1003 8.1003 8.4098 8.4098 8.6867 8.6867 9.0285 9.0285 9.3225 9.3225 9.9106 9.9106 10.0151 10.0151 10.4107 10.4107 10.6123 10.6123 11.0279 11.0279 11.3527 11.3527 11.9451 11.9451 12.6138 12.6138 15.2094 15.2094 16.0158 16.0158 16.3225 16.3225 16.5178 16.5178 16.7687 16.7687 k = 0.5441-0.0255 0.5403 ( 3117 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8576 -13.8576 -13.8552 -13.8552 -0.5732 -0.5732 -0.5693 -0.5693 0.2482 0.2482 0.2780 0.2780 0.2863 0.2863 7.1554 7.1554 8.1062 8.1062 8.4057 8.4057 8.6842 8.6842 9.0410 9.0410 9.2978 9.2978 9.9286 9.9286 10.0149 10.0149 10.3935 10.3935 10.6150 10.6150 11.0474 11.0474 11.4038 11.4038 11.9468 11.9468 12.4898 12.4898 15.2894 15.2894 15.9712 15.9712 16.3112 16.3112 16.5211 16.5211 16.7637 16.7637 k = 0.5368-0.0212 0.5523 ( 3113 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8576 -13.8576 -13.8552 -13.8552 -0.5731 -0.5731 -0.5694 -0.5694 0.2482 0.2482 0.2784 0.2784 0.2861 0.2861 7.1611 7.1611 8.1121 8.1121 8.4014 8.4014 8.6820 8.6820 9.0552 9.0552 9.2730 9.2730 9.9441 9.9441 10.0145 10.0145 10.3788 10.3788 10.6177 10.6177 11.0683 11.0683 11.4547 11.4547 11.9485 11.9485 12.3714 12.3714 15.3649 15.3649 15.9251 15.9251 16.3021 16.3021 16.5233 16.5233 16.7583 16.7583 k = 0.5294-0.0170 0.5643 ( 3113 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8575 -13.8575 -13.8553 -13.8553 -0.5730 -0.5730 -0.5695 -0.5695 0.2483 0.2483 0.2786 0.2786 0.2859 0.2859 7.1662 7.1662 8.1176 8.1176 8.3972 8.3972 8.6803 8.6803 9.0712 9.0712 9.2482 9.2482 9.9570 9.9570 10.0138 10.0138 10.3668 10.3668 10.6200 10.6200 11.0900 11.0900 11.5042 11.5042 11.9495 11.9495 12.2616 12.2616 15.4359 15.4359 15.8777 15.8777 16.2953 16.2953 16.5247 16.5247 16.7528 16.7528 k = 0.5221-0.0127 0.5764 ( 3115 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8575 -13.8575 -13.8553 -13.8553 -0.5729 -0.5729 -0.5696 -0.5696 0.2483 0.2483 0.2787 0.2787 0.2857 0.2857 7.1707 7.1707 8.1226 8.1226 8.3933 8.3933 8.6790 8.6790 9.0889 9.0889 9.2235 9.2235 9.9675 9.9675 10.0127 10.0127 10.3574 10.3574 10.6219 10.6219 11.1113 11.1113 11.5503 11.5503 11.9492 11.9492 12.1647 12.1647 15.5023 15.5023 15.8291 15.8291 16.2907 16.2907 16.5253 16.5253 16.7476 16.7476 k = 0.5147-0.0085 0.5884 ( 3123 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8575 -13.8575 -13.8554 -13.8554 -0.5729 -0.5729 -0.5698 -0.5698 0.2482 0.2482 0.2787 0.2787 0.2855 0.2855 7.1741 7.1741 8.1266 8.1266 8.3901 8.3901 8.6781 8.6781 9.1083 9.1083 9.1990 9.1990 9.9756 9.9756 10.0111 10.0111 10.3507 10.3507 10.6232 10.6232 11.1305 11.1305 11.5893 11.5893 11.9451 11.9451 12.0889 12.0889 15.5644 15.5644 15.7794 15.7794 16.2879 16.2879 16.5255 16.5255 16.7432 16.7432 k = 0.5074-0.0042 0.6004 ( 3112 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8575 -13.8575 -13.8553 -13.8553 -0.5727 -0.5727 -0.5697 -0.5697 0.2483 0.2483 0.2789 0.2789 0.2856 0.2856 7.1765 7.1765 8.1293 8.1293 8.3879 8.3879 8.6775 8.6775 9.1292 9.1292 9.1751 9.1751 9.9810 9.9810 10.0096 10.0096 10.3468 10.3468 10.6240 10.6240 11.1449 11.1449 11.6157 11.6157 11.9355 11.9355 12.0447 12.0447 15.6222 15.6222 15.7287 15.7287 16.2866 16.2866 16.5255 16.5255 16.7402 16.7402 k = 0.5000-0.0000 0.6124 ( 3112 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8575 -13.8575 -13.8553 -13.8553 -0.5727 -0.5727 -0.5698 -0.5698 0.2483 0.2483 0.2789 0.2789 0.2856 0.2856 7.1773 7.1773 8.1303 8.1303 8.3871 8.3871 8.6774 8.6774 9.1491 9.1491 9.1541 9.1541 9.9831 9.9831 10.0088 10.0088 10.3455 10.3455 10.6243 10.6243 11.1507 11.1507 11.6242 11.6242 11.9290 11.9290 12.0324 12.0324 15.6708 15.6708 15.6824 15.6824 16.2863 16.2863 16.5254 16.5254 16.7391 16.7391 k = 0.5000-0.0000 0.6124 ( 3112 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8575 -13.8575 -13.8553 -13.8553 -0.5727 -0.5727 -0.5698 -0.5698 0.2483 0.2483 0.2789 0.2789 0.2856 0.2856 7.1773 7.1773 8.1303 8.1303 8.3871 8.3871 8.6774 8.6774 9.1491 9.1491 9.1541 9.1541 9.9831 9.9831 10.0088 10.0088 10.3455 10.3455 10.6243 10.6243 11.1507 11.1507 11.6242 11.6242 11.9290 11.9290 12.0324 12.0324 15.6708 15.6708 15.6824 15.6824 16.2863 16.2863 16.5254 16.5254 16.7391 16.7391 k = 0.5000 0.0085 0.6004 ( 3112 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8575 -13.8575 -13.8553 -13.8553 -0.5727 -0.5727 -0.5698 -0.5698 0.2483 0.2483 0.2789 0.2789 0.2856 0.2856 7.1759 7.1759 8.1313 8.1313 8.3876 8.3876 8.6775 8.6775 9.1403 9.1403 9.1629 9.1629 9.9807 9.9807 10.0089 10.0089 10.3451 10.3451 10.6235 10.6235 11.1470 11.1470 11.6020 11.6020 11.9414 11.9414 12.0528 12.0528 15.6708 15.6708 15.6826 15.6826 16.2884 16.2884 16.5260 16.5260 16.7401 16.7401 k = 0.5000 0.0170 0.5884 ( 3120 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8575 -13.8575 -13.8553 -13.8553 -0.5727 -0.5727 -0.5698 -0.5698 0.2483 0.2483 0.2788 0.2788 0.2855 0.2855 7.1719 7.1719 8.1343 8.1343 8.3890 8.3890 8.6778 8.6778 9.1294 9.1294 9.1737 9.1737 9.9737 9.9737 10.0092 10.0092 10.3440 10.3440 10.6213 10.6213 11.1361 11.1361 11.5490 11.5490 11.9677 11.9677 12.1112 12.1112 15.6690 15.6690 15.6849 15.6849 16.2943 16.2943 16.5277 16.5277 16.7431 16.7431 k = 0.5000 0.0255 0.5764 ( 3110 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8575 -13.8575 -13.8553 -13.8553 -0.5727 -0.5727 -0.5697 -0.5697 0.2484 0.2484 0.2789 0.2789 0.2856 0.2856 7.1653 7.1653 8.1391 8.1391 8.3912 8.3912 8.6784 8.6784 9.1185 9.1185 9.1844 9.1844 9.9625 9.9625 10.0095 10.0095 10.3422 10.3422 10.6176 10.6176 11.1190 11.1190 11.4839 11.4839 12.0000 12.0000 12.1955 12.1955 15.6639 15.6639 15.6913 15.6913 16.3038 16.3038 16.5310 16.5310 16.7482 16.7482 k = 0.5000 0.0340 0.5643 ( 3114 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8575 -13.8575 -13.8553 -13.8553 -0.5727 -0.5727 -0.5696 -0.5696 0.2485 0.2485 0.2789 0.2789 0.2856 0.2856 7.1563 7.1563 8.1456 8.1456 8.3944 8.3944 8.6791 8.6791 9.1077 9.1077 9.1950 9.1950 9.9471 9.9471 10.0096 10.0096 10.3398 10.3398 10.6124 10.6124 11.0967 11.0967 11.4162 11.4162 12.0385 12.0385 12.2947 12.2947 15.6561 15.6561 15.7012 15.7012 16.3159 16.3159 16.5360 16.5360 16.7554 16.7554 k = 0.5000 0.0425 0.5523 ( 3114 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8575 -13.8575 -13.8552 -13.8552 -0.5727 -0.5727 -0.5696 -0.5696 0.2486 0.2486 0.2789 0.2789 0.2856 0.2856 7.1451 7.1451 8.1534 8.1534 8.3984 8.3984 8.6801 8.6801 9.0969 9.0969 9.2053 9.2053 9.9279 9.9279 10.0096 10.0096 10.3369 10.3369 10.6057 10.6057 11.0705 11.0705 11.3503 11.3503 12.0836 12.0836 12.4028 12.4028 15.6466 15.6466 15.7142 15.7142 16.3298 16.3298 16.5434 16.5434 16.7648 16.7648 k = 0.5000 0.0509 0.5403 ( 3112 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8575 -13.8575 -13.8551 -13.8551 -0.5726 -0.5726 -0.5695 -0.5695 0.2487 0.2487 0.2788 0.2788 0.2857 0.2857 7.1321 7.1321 8.1622 8.1622 8.4032 8.4032 8.6812 8.6812 9.0863 9.0863 9.2153 9.2153 9.9052 9.9052 10.0095 10.0095 10.3337 10.3337 10.5975 10.5975 11.0415 11.0415 11.2879 11.2879 12.1348 12.1348 12.5167 12.5167 15.6362 15.6362 15.7299 15.7299 16.3444 16.3444 16.5538 16.5538 16.7764 16.7764 k = 0.5000 0.0594 0.5283 ( 3116 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8576 -13.8576 -13.8551 -13.8551 -0.5726 -0.5726 -0.5694 -0.5694 0.2487 0.2487 0.2787 0.2787 0.2857 0.2857 7.1174 7.1174 8.1717 8.1717 8.4088 8.4088 8.6826 8.6826 9.0760 9.0760 9.2248 9.2248 9.8793 9.8793 10.0094 10.0094 10.3301 10.3301 10.5879 10.5879 11.0106 11.0106 11.2299 11.2299 12.1914 12.1914 12.6347 12.6347 15.6255 15.6255 15.7480 15.7480 16.3584 16.3584 16.5680 16.5680 16.7903 16.7903 k = 0.5000 0.0679 0.5163 ( 3112 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8576 -13.8576 -13.8550 -13.8550 -0.5725 -0.5725 -0.5693 -0.5693 0.2489 0.2489 0.2787 0.2787 0.2858 0.2858 7.1013 7.1013 8.1816 8.1816 8.4150 8.4150 8.6841 8.6841 9.0658 9.0658 9.2337 9.2337 9.8509 9.8509 10.0094 10.0094 10.3263 10.3263 10.5769 10.5769 10.9787 10.9787 11.1766 11.1766 12.2529 12.2529 12.7557 12.7557 15.6150 15.6150 15.7683 15.7683 16.3708 16.3708 16.5866 16.5866 16.8067 16.8067 k = 0.5000 0.0764 0.5043 ( 3110 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8577 -13.8577 -13.8549 -13.8549 -0.5725 -0.5725 -0.5692 -0.5692 0.2491 0.2491 0.2787 0.2787 0.2859 0.2859 7.0842 7.0842 8.1914 8.1914 8.4218 8.4218 8.6859 8.6859 9.0560 9.0560 9.2419 9.2419 9.8206 9.8206 10.0094 10.0094 10.3222 10.3222 10.5647 10.5647 10.9461 10.9461 11.1282 11.1282 12.3188 12.3188 12.8787 12.8787 15.6053 15.6053 15.7904 15.7904 16.3811 16.3811 16.6100 16.6100 16.8256 16.8256 k = 0.5000 0.0849 0.4923 ( 3112 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8577 -13.8577 -13.8548 -13.8548 -0.5724 -0.5724 -0.5691 -0.5691 0.2492 0.2492 0.2785 0.2785 0.2861 0.2861 7.0662 7.0662 8.2009 8.2009 8.4291 8.4291 8.6877 8.6877 9.0466 9.0466 9.2491 9.2491 9.7893 9.7893 10.0096 10.0096 10.3178 10.3178 10.5515 10.5515 10.9135 10.9135 11.0843 11.0843 12.3887 12.3887 13.0028 13.0028 15.5970 15.5970 15.8141 15.8141 16.3890 16.3890 16.6381 16.6381 16.8472 16.8472 k = 0.5000 0.0934 0.4803 ( 3112 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8578 -13.8578 -13.8547 -13.8547 -0.5724 -0.5724 -0.5690 -0.5690 0.2494 0.2494 0.2785 0.2785 0.2862 0.2862 7.0477 7.0477 8.2098 8.2098 8.4366 8.4366 8.6898 8.6898 9.0376 9.0376 9.2553 9.2553 9.7576 9.7576 10.0099 10.0099 10.3131 10.3131 10.5374 10.5374 10.8812 10.8812 11.0448 11.0448 12.4622 12.4622 13.1271 13.1271 15.5906 15.5906 15.8388 15.8388 16.3946 16.3946 16.6706 16.6706 16.8717 16.8717 k = 0.5000 0.1019 0.4683 ( 3112 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8578 -13.8578 -13.8546 -13.8546 -0.5723 -0.5723 -0.5688 -0.5688 0.2495 0.2495 0.2784 0.2784 0.2863 0.2863 7.0288 7.0288 8.2177 8.2177 8.4443 8.4443 8.6919 8.6919 9.0292 9.0292 9.2601 9.2601 9.7265 9.7265 10.0106 10.0106 10.3078 10.3078 10.5227 10.5227 10.8493 10.8493 11.0091 11.0091 12.5392 12.5392 13.2509 13.2509 15.5867 15.5867 15.8642 15.8642 16.3984 16.3984 16.7071 16.7071 16.8990 16.8990 k = 0.5000 0.1104 0.4563 ( 3116 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8579 -13.8579 -13.8545 -13.8545 -0.5723 -0.5723 -0.5687 -0.5687 0.2496 0.2496 0.2782 0.2782 0.2865 0.2865 7.0098 7.0098 8.2245 8.2245 8.4519 8.4519 8.6943 8.6943 9.0213 9.0213 9.2635 9.2635 9.6968 9.6968 10.0115 10.0115 10.3020 10.3020 10.5077 10.5077 10.8182 10.8182 10.9768 10.9768 12.6194 12.6194 13.3731 13.3731 15.5857 15.5857 15.8899 15.8899 16.4007 16.4007 16.7469 16.7469 16.9293 16.9293 k = 0.5000 0.1189 0.4443 ( 3116 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8580 -13.8580 -13.8543 -13.8543 -0.5722 -0.5722 -0.5686 -0.5686 0.2498 0.2498 0.2781 0.2781 0.2867 0.2867 6.9909 6.9909 8.2299 8.2299 8.4593 8.4593 8.6968 8.6968 9.0141 9.0141 9.2653 9.2653 9.6691 9.6691 10.0128 10.0128 10.2954 10.2954 10.4928 10.4928 10.7880 10.7880 10.9476 10.9476 12.7027 12.7027 13.4927 13.4927 15.5884 15.5884 15.9155 15.9155 16.4019 16.4019 16.7898 16.7898 16.9625 16.9625 k = 0.5000 0.1274 0.4323 ( 3114 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8580 -13.8580 -13.8542 -13.8542 -0.5722 -0.5722 -0.5684 -0.5684 0.2499 0.2499 0.2780 0.2780 0.2869 0.2869 6.9721 6.9721 8.2338 8.2338 8.4663 8.4663 8.6996 8.6996 9.0075 9.0075 9.2653 9.2653 9.6441 9.6441 10.0146 10.0146 10.2879 10.2879 10.4783 10.4783 10.7588 10.7588 10.9209 10.9209 12.7890 12.7890 13.6088 13.6088 15.5952 15.5952 15.9403 15.9403 16.4023 16.4023 16.8354 16.8354 16.9982 16.9982 k = 0.5000 0.1358 0.4203 ( 3116 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8581 -13.8581 -13.8541 -13.8541 -0.5721 -0.5721 -0.5683 -0.5683 0.2500 0.2500 0.2779 0.2779 0.2871 0.2871 6.9538 6.9538 8.2361 8.2361 8.4727 8.4727 8.7028 8.7028 9.0016 9.0016 9.2637 9.2637 9.6222 9.6222 10.0168 10.0168 10.2795 10.2795 10.4643 10.4643 10.7308 10.7308 10.8964 10.8964 12.8783 12.8783 13.7202 13.7202 15.6067 15.6067 15.9641 15.9641 16.4021 16.4021 16.8834 16.8834 17.0357 17.0357 k = 0.5000 0.1443 0.4082 ( 3110 PWs) bands (ev): -35.3830 -35.3830 -14.3609 -14.3609 -13.8581 -13.8581 -13.8539 -13.8539 -0.5720 -0.5720 -0.5681 -0.5681 0.2502 0.2502 0.2778 0.2778 0.2874 0.2874 6.9359 6.9359 8.2367 8.2367 8.4783 8.4783 8.7063 8.7063 8.9963 8.9963 9.2606 9.2606 9.6035 9.6035 10.0196 10.0196 10.2702 10.2702 10.4511 10.4511 10.7039 10.7039 10.8739 10.8739 12.9702 12.9702 13.8258 13.8258 15.6234 15.6234 15.9863 15.9863 16.4017 16.4017 16.9335 16.9335 17.0736 17.0736 k = 0.5000 0.1528 0.3962 ( 3112 PWs) bands (ev): -35.3830 -35.3830 -14.3609 -14.3609 -13.8582 -13.8582 -13.8538 -13.8538 -0.5719 -0.5719 -0.5679 -0.5679 0.2503 0.2503 0.2777 0.2777 0.2877 0.2877 6.9186 6.9186 8.2355 8.2355 8.4830 8.4830 8.7104 8.7104 8.9915 8.9915 9.2563 9.2563 9.5881 9.5881 10.0230 10.0230 10.2600 10.2600 10.4387 10.4387 10.6784 10.6784 10.8530 10.8530 13.0648 13.0648 13.9245 13.9245 15.6457 15.6457 16.0064 16.0064 16.4011 16.4011 16.9848 16.9848 17.1092 17.1092 k = 0.5000 0.1613 0.3842 ( 3104 PWs) bands (ev): -35.3830 -35.3830 -14.3609 -14.3609 -13.8582 -13.8582 -13.8537 -13.8537 -0.5718 -0.5718 -0.5677 -0.5677 0.2505 0.2505 0.2776 0.2776 0.2880 0.2880 6.9020 6.9020 8.2328 8.2328 8.4868 8.4868 8.7152 8.7152 8.9871 8.9871 9.2513 9.2513 9.5757 9.5757 10.0271 10.0271 10.2490 10.2490 10.4271 10.4271 10.6544 10.6544 10.8335 10.8335 13.1620 13.1620 14.0152 14.0152 15.6738 15.6738 16.0241 16.0241 16.4005 16.4005 17.0347 17.0347 17.1385 17.1385 k = 0.5000 0.1698 0.3722 ( 3104 PWs) bands (ev): -35.3831 -35.3831 -14.3609 -14.3609 -13.8583 -13.8583 -13.8536 -13.8536 -0.5718 -0.5718 -0.5676 -0.5676 0.2506 0.2506 0.2775 0.2775 0.2883 0.2883 6.8862 6.8862 8.2284 8.2284 8.4895 8.4895 8.7207 8.7207 8.9828 8.9828 9.2461 9.2461 9.5658 9.5658 10.0318 10.0318 10.2376 10.2376 10.4159 10.4159 10.6319 10.6319 10.8154 10.8154 13.2614 13.2614 14.0973 14.0973 15.7074 15.7074 16.0386 16.0386 16.4001 16.4001 17.0709 17.0709 17.1625 17.1625 k = 0.5000 0.1783 0.3602 ( 3104 PWs) bands (ev): -35.3831 -35.3831 -14.3609 -14.3609 -13.8584 -13.8584 -13.8534 -13.8534 -0.5717 -0.5717 -0.5674 -0.5674 0.2507 0.2507 0.2774 0.2774 0.2886 0.2886 6.8712 6.8712 8.2226 8.2226 8.4913 8.4913 8.7270 8.7270 8.9785 8.9785 9.2411 9.2411 9.5582 9.5582 10.0372 10.0372 10.2258 10.2258 10.4050 10.4050 10.6110 10.6110 10.7985 10.7985 13.3629 13.3629 14.1702 14.1702 15.7460 15.7460 16.0493 16.0493 16.4000 16.4000 17.0624 17.0624 17.2020 17.2020 k = 0.5000 0.1868 0.3482 ( 3108 PWs) bands (ev): -35.3831 -35.3831 -14.3609 -14.3609 -13.8584 -13.8584 -13.8533 -13.8533 -0.5717 -0.5717 -0.5673 -0.5673 0.2507 0.2507 0.2773 0.2773 0.2888 0.2888 6.8572 6.8572 8.2157 8.2157 8.4921 8.4921 8.7342 8.7342 8.9741 8.9741 9.2367 9.2367 9.5522 9.5522 10.0434 10.0434 10.2140 10.2140 10.3940 10.3940 10.5921 10.5921 10.7827 10.7827 13.4663 13.4663 14.2339 14.2339 15.7886 15.7886 16.0556 16.0556 16.4003 16.4003 17.0068 17.0068 17.2609 17.2609 k = 0.5000 0.1953 0.3362 ( 3108 PWs) bands (ev): -35.3831 -35.3831 -14.3609 -14.3609 -13.8585 -13.8585 -13.8532 -13.8532 -0.5716 -0.5716 -0.5672 -0.5672 0.2508 0.2508 0.2772 0.2772 0.2891 0.2891 6.8441 6.8441 8.2077 8.2077 8.4922 8.4922 8.7422 8.7422 8.9693 8.9693 9.2332 9.2332 9.5476 9.5476 10.0502 10.0502 10.2025 10.2025 10.3827 10.3827 10.5751 10.5751 10.7681 10.7681 13.5712 13.5712 14.2886 14.2886 15.8339 15.8339 16.0562 16.0562 16.4011 16.4011 16.9265 16.9265 17.3291 17.3291 k = 0.5000 0.2038 0.3242 ( 3108 PWs) bands (ev): -35.3831 -35.3831 -14.3608 -14.3608 -13.8585 -13.8585 -13.8531 -13.8531 -0.5716 -0.5716 -0.5670 -0.5670 0.2508 0.2508 0.2772 0.2772 0.2894 0.2894 6.8320 6.8320 8.1992 8.1992 8.4917 8.4917 8.7509 8.7509 8.9640 8.9640 9.2308 9.2308 9.5439 9.5439 10.0578 10.0578 10.1915 10.1915 10.3709 10.3709 10.5602 10.5602 10.7545 10.7545 13.6771 13.6771 14.3349 14.3349 15.8801 15.8801 16.0499 16.0499 16.4025 16.4025 16.8373 16.8373 17.4030 17.4030 k = 0.5000 0.2123 0.3122 ( 3112 PWs) bands (ev): -35.3831 -35.3831 -14.3609 -14.3609 -13.8586 -13.8586 -13.8530 -13.8530 -0.5716 -0.5716 -0.5670 -0.5670 0.2508 0.2508 0.2770 0.2770 0.2896 0.2896 6.8210 6.8210 8.1902 8.1902 8.4907 8.4907 8.7602 8.7602 8.9582 8.9582 9.2293 9.2293 9.5410 9.5410 10.0660 10.0660 10.1811 10.1811 10.3583 10.3583 10.5474 10.5474 10.7422 10.7422 13.7834 13.7834 14.3737 14.3737 15.9250 15.9250 16.0352 16.0352 16.4047 16.4047 16.7488 16.7488 17.4811 17.4811 k = 0.5000 0.2208 0.3002 ( 3110 PWs) bands (ev): -35.3831 -35.3831 -14.3608 -14.3608 -13.8586 -13.8586 -13.8529 -13.8529 -0.5715 -0.5715 -0.5668 -0.5668 0.2509 0.2509 0.2769 0.2769 0.2899 0.2899 6.8111 6.8111 8.1813 8.1813 8.4893 8.4893 8.7699 8.7699 8.9519 8.9519 9.2289 9.2289 9.5386 9.5386 10.0748 10.0748 10.1716 10.1716 10.3452 10.3452 10.5366 10.5366 10.7310 10.7310 13.8893 13.8893 14.4059 14.4059 15.9630 15.9630 16.0139 16.0139 16.4076 16.4076 16.6676 16.6676 17.5621 17.5621 k = 0.5000 0.2292 0.2882 ( 3112 PWs) bands (ev): -35.3831 -35.3831 -14.3608 -14.3608 -13.8587 -13.8587 -13.8528 -13.8528 -0.5715 -0.5715 -0.5668 -0.5668 0.2509 0.2509 0.2768 0.2768 0.2901 0.2901 6.8023 6.8023 8.1726 8.1726 8.4878 8.4878 8.7800 8.7800 8.9451 8.9451 9.2291 9.2291 9.5366 9.5366 10.0840 10.0840 10.1630 10.1630 10.3316 10.3316 10.5276 10.5276 10.7210 10.7210 13.9937 13.9937 14.4328 14.4328 15.9567 15.9567 16.0203 16.0203 16.4112 16.4112 16.5982 16.5982 17.6445 17.6445 k = 0.5000 0.2377 0.2762 ( 3114 PWs) bands (ev): -35.3831 -35.3831 -14.3608 -14.3608 -13.8587 -13.8587 -13.8528 -13.8528 -0.5715 -0.5715 -0.5667 -0.5667 0.2509 0.2509 0.2767 0.2767 0.2903 0.2903 6.7946 6.7946 8.1644 8.1644 8.4863 8.4863 8.7901 8.7901 8.9380 8.9380 9.2300 9.2300 9.5349 9.5349 10.0935 10.0935 10.1555 10.1555 10.3178 10.3178 10.5204 10.5204 10.7123 10.7123 14.0948 14.0948 14.4554 14.4554 15.9078 15.9078 16.0516 16.0516 16.4154 16.4154 16.5432 16.5432 17.7263 17.7263 k = 0.5000 0.2462 0.2642 ( 3118 PWs) bands (ev): -35.3831 -35.3831 -14.3608 -14.3608 -13.8587 -13.8587 -13.8527 -13.8527 -0.5715 -0.5715 -0.5667 -0.5667 0.2509 0.2509 0.2766 0.2766 0.2905 0.2905 6.7881 6.7881 8.1570 8.1570 8.4848 8.4848 8.8001 8.8001 8.9307 8.9307 9.2311 9.2311 9.5335 9.5335 10.1030 10.1030 10.1492 10.1492 10.3041 10.3041 10.5146 10.5146 10.7049 10.7049 14.1899 14.1899 14.4755 14.4755 15.8457 15.8457 16.0806 16.0806 16.4200 16.4200 16.5024 16.5024 17.8050 17.8050 k = 0.5000 0.2547 0.2522 ( 3110 PWs) bands (ev): -35.3831 -35.3831 -14.3608 -14.3608 -13.8588 -13.8588 -13.8527 -13.8527 -0.5714 -0.5714 -0.5665 -0.5665 0.2510 0.2510 0.2767 0.2767 0.2907 0.2907 6.7827 6.7827 8.1507 8.1507 8.4834 8.4834 8.8096 8.8096 8.9235 8.9235 9.2324 9.2324 9.5324 9.5324 10.1122 10.1122 10.1442 10.1442 10.2911 10.2911 10.5101 10.5101 10.6988 10.6988 14.2751 14.2751 14.4949 14.4949 15.7780 15.7780 16.1044 16.1044 16.4246 16.4246 16.4739 16.4739 17.8774 17.8774 k = 0.5000 0.2632 0.2401 ( 3120 PWs) bands (ev): -35.3831 -35.3831 -14.3608 -14.3608 -13.8588 -13.8588 -13.8527 -13.8527 -0.5714 -0.5714 -0.5666 -0.5666 0.2509 0.2509 0.2765 0.2765 0.2908 0.2908 6.7786 6.7786 8.1456 8.1456 8.4823 8.4823 8.8183 8.8183 8.9166 8.9166 9.2336 9.2336 9.5315 9.5315 10.1202 10.1202 10.1408 10.1408 10.2795 10.2795 10.5068 10.5068 10.6940 10.6940 14.3442 14.3442 14.5165 14.5165 15.7120 15.7120 16.1226 16.1226 16.4287 16.4287 16.4550 16.4550 17.9399 17.9399 k = 0.5000 0.2717 0.2281 ( 3120 PWs) bands (ev): -35.3831 -35.3831 -14.3608 -14.3608 -13.8588 -13.8588 -13.8526 -13.8526 -0.5714 -0.5714 -0.5665 -0.5665 0.2509 0.2509 0.2765 0.2765 0.2908 0.2908 6.7756 6.7756 8.1418 8.1418 8.4815 8.4815 8.8255 8.8255 8.9108 8.9108 9.2346 9.2346 9.5308 9.5308 10.1256 10.1256 10.1397 10.1397 10.2700 10.2700 10.5045 10.5045 10.6906 10.6906 14.3911 14.3911 14.5413 14.5413 15.6556 15.6556 16.1353 16.1353 16.4316 16.4316 16.4437 16.4437 17.9888 17.9888 k = 0.5000 0.2802 0.2161 ( 3120 PWs) bands (ev): -35.3831 -35.3831 -14.3608 -14.3608 -13.8588 -13.8588 -13.8526 -13.8526 -0.5714 -0.5714 -0.5665 -0.5665 0.2509 0.2509 0.2765 0.2765 0.2909 0.2909 6.7738 6.7738 8.1395 8.1395 8.4810 8.4810 8.8304 8.8304 8.9066 8.9066 9.2353 9.2353 9.5304 9.5304 10.1278 10.1278 10.1408 10.1408 10.2636 10.2636 10.5032 10.5032 10.6885 10.6885 14.4157 14.4157 14.5637 14.5637 15.6171 15.6171 16.1428 16.1428 16.4320 16.4320 16.4390 16.4390 18.0200 18.0200 k = 0.5000 0.2887 0.2041 ( 3100 PWs) bands (ev): -35.3831 -35.3831 -14.3608 -14.3608 -13.8588 -13.8588 -13.8525 -13.8525 -0.5713 -0.5713 -0.5663 -0.5663 0.2511 0.2511 0.2767 0.2767 0.2911 0.2911 6.7732 6.7732 8.1387 8.1387 8.4808 8.4808 8.8322 8.8322 8.9052 8.9052 9.2355 9.2355 9.5303 9.5303 10.1283 10.1283 10.1416 10.1416 10.2614 10.2614 10.5027 10.5027 10.6878 10.6878 14.4231 14.4231 14.5729 14.5729 15.6034 15.6034 16.1453 16.1453 16.4313 16.4313 16.4385 16.4385 18.0308 18.0309 k = 0.5000 0.2887 0.2041 ( 3100 PWs) bands (ev): -35.3831 -35.3831 -14.3608 -14.3608 -13.8588 -13.8588 -13.8525 -13.8525 -0.5713 -0.5713 -0.5663 -0.5663 0.2511 0.2511 0.2767 0.2767 0.2911 0.2911 6.7732 6.7732 8.1387 8.1387 8.4808 8.4808 8.8322 8.8322 8.9052 8.9052 9.2355 9.2355 9.5303 9.5303 10.1283 10.1283 10.1416 10.1416 10.2614 10.2614 10.5027 10.5027 10.6878 10.6878 14.4231 14.4231 14.5729 14.5729 15.6034 15.6034 16.1453 16.1453 16.4313 16.4313 16.4385 16.4385 18.0308 18.0308 k = 0.4957 0.2862 0.2182 ( 3115 PWs) bands (ev): -35.3831 -35.3831 -14.3608 -14.3608 -13.8588 -13.8588 -13.8526 -13.8526 -0.5714 -0.5714 -0.5664 -0.5664 0.2510 0.2510 0.2765 0.2765 0.2909 0.2909 6.7738 6.7738 8.1395 8.1395 8.4810 8.4810 8.8304 8.8304 8.9067 8.9067 9.2353 9.2353 9.5304 9.5304 10.1278 10.1278 10.1407 10.1407 10.2637 10.2637 10.5032 10.5032 10.6885 10.6885 14.4155 14.4155 14.5634 14.5634 15.6176 15.6176 16.1428 16.1428 16.4321 16.4321 16.4391 16.4391 18.0197 18.0197 k = 0.4914 0.2837 0.2323 ( 3115 PWs) bands (ev): -35.3831 -35.3831 -14.3608 -14.3608 -13.8588 -13.8588 -13.8526 -13.8526 -0.5714 -0.5714 -0.5665 -0.5665 0.2510 0.2510 0.2765 0.2765 0.2909 0.2909 6.7756 6.7756 8.1419 8.1419 8.4815 8.4815 8.8253 8.8253 8.9109 8.9109 9.2346 9.2346 9.5309 9.5309 10.1255 10.1255 10.1397 10.1397 10.2702 10.2702 10.5046 10.5046 10.6906 10.6906 14.3900 14.3900 14.5406 14.5406 15.6571 15.6571 16.1350 16.1350 16.4315 16.4315 16.4440 16.4440 17.9875 17.9875 k = 0.4871 0.2812 0.2464 ( 3117 PWs) bands (ev): -35.3831 -35.3831 -14.3608 -14.3608 -13.8588 -13.8588 -13.8526 -13.8526 -0.5714 -0.5714 -0.5665 -0.5665 0.2509 0.2509 0.2766 0.2766 0.2908 0.2908 6.7787 6.7787 8.1458 8.1458 8.4824 8.4824 8.8179 8.8179 8.9169 8.9169 9.2336 9.2336 9.5315 9.5315 10.1198 10.1198 10.1410 10.1410 10.2800 10.2800 10.5069 10.5069 10.6942 10.6942 14.3412 14.3412 14.5157 14.5157 15.7147 15.7147 16.1221 16.1221 16.4280 16.4280 16.4562 16.4562 17.9374 17.9374 k = 0.4828 0.2787 0.2604 ( 3111 PWs) bands (ev): -35.3831 -35.3831 -14.3608 -14.3608 -13.8588 -13.8588 -13.8527 -13.8527 -0.5714 -0.5714 -0.5665 -0.5665 0.2510 0.2510 0.2767 0.2767 0.2907 0.2907 6.7830 6.7830 8.1511 8.1511 8.4835 8.4835 8.8091 8.8091 8.9239 8.9239 9.2324 9.2324 9.5325 9.5325 10.1116 10.1116 10.1446 10.1446 10.2919 10.2919 10.5103 10.5103 10.6991 10.6991 14.2695 14.2695 14.4948 14.4948 15.7811 15.7811 16.1044 16.1044 16.4226 16.4226 16.4766 16.4766 17.8733 17.8733 k = 0.4784 0.2762 0.2745 ( 3111 PWs) bands (ev): -35.3831 -35.3831 -14.3608 -14.3608 -13.8587 -13.8587 -13.8527 -13.8527 -0.5714 -0.5714 -0.5666 -0.5666 0.2510 0.2510 0.2767 0.2767 0.2905 0.2905 6.7885 6.7885 8.1576 8.1576 8.4849 8.4849 8.7994 8.7994 8.9313 8.9313 9.2311 9.2311 9.5336 9.5336 10.1021 10.1021 10.1499 10.1499 10.3051 10.3051 10.5149 10.5149 10.7054 10.7054 14.1810 14.1810 14.4770 14.4770 15.8456 15.8456 16.0844 16.0844 16.4157 16.4157 16.5073 16.5073 17.7997 17.7997 k = 0.4741 0.2737 0.2886 ( 3111 PWs) bands (ev): -35.3831 -35.3831 -14.3608 -14.3608 -13.8587 -13.8587 -13.8528 -13.8528 -0.5715 -0.5715 -0.5666 -0.5666 0.2510 0.2510 0.2768 0.2768 0.2903 0.2903 6.7953 6.7953 8.1651 8.1651 8.4864 8.4864 8.7892 8.7892 8.9386 8.9386 9.2300 9.2300 9.5350 9.5350 10.0922 10.0922 10.1568 10.1568 10.3190 10.3190 10.5207 10.5207 10.7132 10.7132 14.0817 14.0817 14.4599 14.4599 15.8929 15.8929 16.0707 16.0707 16.4076 16.4076 16.5507 16.5507 17.7205 17.7205 k = 0.4698 0.2713 0.3027 ( 3109 PWs) bands (ev): -35.3831 -35.3831 -14.3608 -14.3608 -13.8587 -13.8587 -13.8528 -13.8528 -0.5715 -0.5715 -0.5667 -0.5667 0.2509 0.2509 0.2769 0.2769 0.2901 0.2901 6.8032 6.8032 8.1735 8.1735 8.4879 8.4879 8.7790 8.7790 8.9458 8.9458 9.2293 9.2293 9.5367 9.5367 10.0822 10.0822 10.1650 10.1650 10.3330 10.3330 10.5279 10.5279 10.7223 10.7223 13.9758 13.9758 14.4421 14.4421 15.9021 15.9021 16.0793 16.0793 16.3985 16.3985 16.6086 16.6086 17.6393 17.6393 k = 0.4655 0.2688 0.3167 ( 3105 PWs) bands (ev): -35.3831 -35.3831 -14.3608 -14.3608 -13.8586 -13.8586 -13.8529 -13.8529 -0.5715 -0.5715 -0.5668 -0.5668 0.2510 0.2510 0.2770 0.2770 0.2899 0.2899 6.8122 6.8122 8.1825 8.1825 8.4892 8.4892 8.7690 8.7690 8.9524 8.9524 9.2294 9.2294 9.5386 9.5386 10.0725 10.0725 10.1747 10.1747 10.3467 10.3467 10.5365 10.5365 10.7328 10.7328 13.8656 13.8656 14.4231 14.4231 15.8719 15.8719 16.1091 16.1091 16.3886 16.3886 16.6806 16.6806 17.5592 17.5592 k = 0.4612 0.2663 0.3308 ( 3106 PWs) bands (ev): -35.3831 -35.3831 -14.3608 -14.3608 -13.8586 -13.8586 -13.8530 -13.8530 -0.5715 -0.5715 -0.5669 -0.5669 0.2509 0.2509 0.2770 0.2770 0.2896 0.2896 6.8224 6.8224 8.1917 8.1917 8.4902 8.4902 8.7594 8.7594 8.9585 8.9585 9.2306 9.2306 9.5407 9.5407 10.0631 10.0631 10.1856 10.1856 10.3601 10.3601 10.5465 10.5465 10.7448 10.7448 13.7526 13.7526 14.4023 14.4023 15.8196 15.8196 16.1434 16.1434 16.3781 16.3781 16.7643 16.7643 17.4833 17.4833 k = 0.4569 0.2638 0.3449 ( 3112 PWs) bands (ev): -35.3831 -35.3831 -14.3609 -14.3609 -13.8585 -13.8585 -13.8531 -13.8531 -0.5716 -0.5716 -0.5671 -0.5671 0.2508 0.2508 0.2771 0.2771 0.2893 0.2893 6.8337 6.8337 8.2009 8.2009 8.4906 8.4906 8.7505 8.7505 8.9638 8.9638 9.2332 9.2332 9.5432 9.5432 10.0541 10.0541 10.1978 10.1978 10.3728 10.3728 10.5578 10.5578 10.7582 10.7582 13.6378 13.6378 14.3795 14.3795 15.7548 15.7548 16.1747 16.1747 16.3674 16.3674 16.8548 16.8548 17.4146 17.4146 k = 0.4526 0.2613 0.3590 ( 3111 PWs) bands (ev): -35.3831 -35.3831 -14.3609 -14.3609 -13.8585 -13.8585 -13.8532 -13.8532 -0.5717 -0.5717 -0.5672 -0.5672 0.2508 0.2508 0.2772 0.2772 0.2891 0.2891 6.8461 6.8461 8.2098 8.2098 8.4903 8.4903 8.7425 8.7425 8.9682 8.9682 9.2377 9.2377 9.5461 9.5461 10.0458 10.0458 10.2112 10.2112 10.3850 10.3850 10.5702 10.5702 10.7732 10.7732 13.5220 13.5220 14.3548 14.3548 15.6817 15.6817 16.2018 16.2018 16.3567 16.3567 16.9446 16.9446 17.3582 17.3582 k = 0.4483 0.2588 0.3731 ( 3110 PWs) bands (ev): -35.3831 -35.3831 -14.3609 -14.3609 -13.8584 -13.8584 -13.8533 -13.8533 -0.5717 -0.5717 -0.5673 -0.5673 0.2507 0.2507 0.2772 0.2772 0.2888 0.2888 6.8594 6.8594 8.2181 8.2181 8.4889 8.4889 8.7356 8.7356 8.9717 8.9717 9.2442 9.2442 9.5493 9.5493 10.0380 10.0380 10.2258 10.2258 10.3969 10.3969 10.5834 10.5834 10.7897 10.7897 13.4057 13.4057 14.3281 14.3281 15.6026 15.6026 16.2254 16.2254 16.3466 16.3466 17.0197 17.0197 17.3250 17.3250 k = 0.4440 0.2563 0.3871 ( 3116 PWs) bands (ev): -35.3831 -35.3831 -14.3609 -14.3609 -13.8584 -13.8584 -13.8535 -13.8535 -0.5718 -0.5718 -0.5675 -0.5675 0.2506 0.2506 0.2773 0.2773 0.2885 0.2885 6.8737 6.8737 8.2255 8.2255 8.4863 8.4863 8.7300 8.7300 8.9743 8.9743 9.2529 9.2529 9.5531 9.5531 10.0310 10.0310 10.2415 10.2415 10.4085 10.4085 10.5972 10.5972 10.8078 10.8078 13.2892 13.2892 14.2994 14.2994 15.5192 15.5192 16.2457 16.2457 16.3377 16.3377 17.0568 17.0568 17.3351 17.3351 k = 0.4397 0.2538 0.4012 ( 3116 PWs) bands (ev): -35.3831 -35.3831 -14.3609 -14.3609 -13.8583 -13.8583 -13.8536 -13.8536 -0.5719 -0.5719 -0.5677 -0.5677 0.2505 0.2505 0.2774 0.2774 0.2882 0.2882 6.8888 6.8888 8.2316 8.2316 8.4824 8.4824 8.7256 8.7256 8.9758 8.9758 9.2641 9.2641 9.5576 9.5576 10.0246 10.0246 10.2582 10.2582 10.4201 10.4201 10.6110 10.6110 10.8275 10.8275 13.1730 13.1730 14.2687 14.2687 15.4333 15.4333 16.2625 16.2625 16.3310 16.3310 17.0491 17.0491 17.3474 17.3474 k = 0.4353 0.2513 0.4153 ( 3119 PWs) bands (ev): -35.3830 -35.3830 -14.3609 -14.3609 -13.8583 -13.8583 -13.8537 -13.8537 -0.5720 -0.5720 -0.5679 -0.5679 0.2503 0.2503 0.2774 0.2774 0.2880 0.2880 6.9048 6.9048 8.2363 8.2363 8.4773 8.4773 8.7225 8.7225 8.9766 8.9766 9.2776 9.2776 9.5627 9.5627 10.0189 10.0189 10.2758 10.2758 10.4321 10.4321 10.6247 10.6247 10.8487 10.8487 13.0572 13.0572 14.2362 14.2362 15.3460 15.3460 16.2745 16.2745 16.3288 16.3288 17.0189 17.0189 17.2736 17.2736 k = 0.4310 0.2489 0.4294 ( 3115 PWs) bands (ev): -35.3830 -35.3830 -14.3609 -14.3609 -13.8582 -13.8582 -13.8539 -13.8539 -0.5721 -0.5721 -0.5680 -0.5680 0.2503 0.2503 0.2774 0.2774 0.2878 0.2878 6.9214 6.9214 8.2393 8.2393 8.4710 8.4710 8.7206 8.7206 8.9766 8.9766 9.2933 9.2933 9.5686 9.5686 10.0140 10.0140 10.2943 10.2943 10.4448 10.4448 10.6381 10.6381 10.8713 10.8713 12.9424 12.9424 14.2021 14.2021 15.2587 15.2587 16.2797 16.2797 16.3335 16.3335 16.9821 16.9821 17.1990 17.1990 k = 0.4267 0.2464 0.4434 ( 3113 PWs) bands (ev): -35.3830 -35.3830 -14.3609 -14.3609 -13.8581 -13.8581 -13.8540 -13.8540 -0.5721 -0.5721 -0.5681 -0.5681 0.2501 0.2501 0.2775 0.2775 0.2877 0.2877 6.9385 6.9385 8.2402 8.2402 8.4638 8.4638 8.7195 8.7195 8.9761 8.9761 9.3110 9.3110 9.5755 9.5755 10.0098 10.0098 10.3134 10.3134 10.4584 10.4584 10.6510 10.6510 10.8949 10.8949 12.8290 12.8290 14.1664 14.1664 15.1724 15.1724 16.2792 16.2792 16.3443 16.3443 16.9446 16.9446 17.1269 17.1269 k = 0.4224 0.2439 0.4575 ( 3117 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8581 -13.8581 -13.8541 -13.8541 -0.5723 -0.5723 -0.5682 -0.5682 0.2500 0.2500 0.2774 0.2774 0.2875 0.2875 6.9560 6.9560 8.2389 8.2389 8.4562 8.4562 8.7191 8.7191 8.9753 8.9753 9.3301 9.3301 9.5834 9.5834 10.0064 10.0064 10.3331 10.3331 10.4731 10.4731 10.6634 10.6634 10.9193 10.9193 12.7174 12.7174 14.1292 14.1292 15.0880 15.0880 16.2765 16.2765 16.3579 16.3579 16.9085 16.9085 17.0573 17.0573 k = 0.4181 0.2414 0.4716 ( 3125 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8581 -13.8581 -13.8542 -13.8542 -0.5725 -0.5725 -0.5684 -0.5684 0.2498 0.2498 0.2773 0.2773 0.2873 0.2873 6.9738 6.9738 8.2352 8.2352 8.4485 8.4485 8.7191 8.7191 8.9742 8.9742 9.3503 9.3503 9.5924 9.5924 10.0039 10.0039 10.3534 10.3534 10.4892 10.4892 10.6754 10.6754 10.9440 10.9440 12.6084 12.6084 14.0908 14.0908 15.0063 15.0063 16.2736 16.2736 16.3723 16.3723 16.8748 16.8748 16.9903 16.9903 k = 0.4138 0.2389 0.4857 ( 3123 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8580 -13.8580 -13.8543 -13.8543 -0.5726 -0.5726 -0.5684 -0.5684 0.2496 0.2496 0.2773 0.2773 0.2872 0.2872 6.9917 6.9917 8.2289 8.2289 8.4412 8.4412 8.7193 8.7193 8.9731 8.9731 9.3711 9.3711 9.6024 9.6024 10.0021 10.0021 10.3740 10.3740 10.5068 10.5068 10.6874 10.6874 10.9684 10.9684 12.5027 12.5027 14.0514 14.0514 14.9277 14.9277 16.2715 16.2715 16.3865 16.3865 16.8439 16.8439 16.9261 16.9261 k = 0.4095 0.2364 0.4998 ( 3125 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8580 -13.8580 -13.8544 -13.8544 -0.5728 -0.5728 -0.5685 -0.5685 0.2495 0.2495 0.2772 0.2772 0.2872 0.2872 7.0094 7.0094 8.2198 8.2198 8.4347 8.4347 8.7194 8.7194 8.9722 8.9722 9.3918 9.3918 9.6135 9.6135 10.0011 10.0011 10.3949 10.3949 10.5257 10.5257 10.6997 10.6997 10.9917 10.9917 12.4013 12.4013 14.0110 14.0110 14.8529 14.8529 16.2706 16.2706 16.4000 16.4000 16.8156 16.8156 16.8651 16.8651 k = 0.4052 0.2339 0.5138 ( 3124 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8579 -13.8579 -13.8545 -13.8545 -0.5729 -0.5729 -0.5686 -0.5686 0.2493 0.2493 0.2772 0.2772 0.2872 0.2872 7.0267 7.0267 8.2080 8.2080 8.4291 8.4291 8.7194 8.7194 8.9716 8.9716 9.4122 9.4122 9.6254 9.6254 10.0008 10.0008 10.4160 10.4160 10.5459 10.5459 10.7130 10.7130 11.0130 11.0130 12.3055 12.3055 13.9701 13.9701 14.7820 14.7820 16.2712 16.2712 16.4120 16.4120 16.7865 16.7865 16.8111 16.8111 k = 0.4009 0.2314 0.5279 ( 3122 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8579 -13.8579 -13.8546 -13.8546 -0.5731 -0.5731 -0.5686 -0.5686 0.2491 0.2491 0.2771 0.2771 0.2873 0.2873 7.0434 7.0434 8.1936 8.1936 8.4247 8.4247 8.7192 8.7192 8.9713 8.9713 9.4317 9.4317 9.6380 9.6380 10.0013 10.0013 10.4370 10.4370 10.5667 10.5667 10.7282 10.7282 11.0311 11.0311 12.2168 12.2168 13.9286 13.9286 14.7153 14.7153 16.2734 16.2734 16.4222 16.4222 16.7410 16.7410 16.7803 16.7803 k = 0.3966 0.2289 0.5420 ( 3124 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8579 -13.8579 -13.8546 -13.8546 -0.5733 -0.5733 -0.5687 -0.5687 0.2490 0.2490 0.2769 0.2769 0.2874 0.2874 7.0592 7.0592 8.1768 8.1768 8.4216 8.4216 8.7186 8.7186 8.9717 8.9717 9.4501 9.4501 9.6507 9.6507 10.0024 10.0024 10.4579 10.4579 10.5874 10.5874 10.7466 10.7466 11.0445 11.0445 12.1370 12.1370 13.8869 13.8869 14.6529 14.6529 16.2772 16.2772 16.4300 16.4300 16.6882 16.6882 16.7641 16.7641 k = 0.3922 0.2265 0.5561 ( 3122 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8579 -13.8579 -13.8547 -13.8547 -0.5734 -0.5734 -0.5687 -0.5687 0.2488 0.2488 0.2768 0.2768 0.2875 0.2875 7.0737 7.0737 8.1578 8.1578 8.4197 8.4197 8.7177 8.7177 8.9726 8.9726 9.4673 9.4673 9.6633 9.6633 10.0041 10.0041 10.4782 10.4782 10.6073 10.6073 10.7696 10.7696 11.0518 11.0518 12.0682 12.0682 13.8451 13.8451 14.5948 14.5948 16.2827 16.2827 16.4350 16.4350 16.6366 16.6366 16.7543 16.7543 k = 0.3879 0.2240 0.5701 ( 3118 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8579 -13.8579 -13.8547 -13.8547 -0.5736 -0.5736 -0.5686 -0.5686 0.2486 0.2486 0.2767 0.2767 0.2877 0.2877 7.0866 7.0866 8.1369 8.1369 8.4191 8.4191 8.7164 8.7164 8.9742 8.9742 9.4834 9.4834 9.6751 9.6751 10.0063 10.0063 10.4974 10.4974 10.6257 10.6257 10.7980 10.7980 11.0515 11.0515 12.0124 12.0124 13.8034 13.8034 14.5409 14.5409 16.2897 16.2897 16.4373 16.4373 16.5873 16.5873 16.7501 16.7501 k = 0.3836 0.2215 0.5842 ( 3116 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8579 -13.8579 -13.8547 -13.8547 -0.5737 -0.5737 -0.5686 -0.5686 0.2485 0.2485 0.2765 0.2765 0.2878 0.2878 7.0976 7.0976 8.1145 8.1145 8.4198 8.4198 8.7147 8.7147 8.9765 8.9765 9.4983 9.4983 9.6858 9.6858 10.0088 10.0088 10.5151 10.5151 10.6425 10.6425 10.8326 10.8326 11.0425 11.0425 11.9714 11.9714 13.7621 13.7621 14.4912 14.4912 16.2981 16.2981 16.4371 16.4371 16.5410 16.5410 16.7511 16.7511 k = 0.3793 0.2190 0.5983 ( 3108 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8579 -13.8579 -13.8547 -13.8547 -0.5739 -0.5739 -0.5685 -0.5685 0.2483 0.2483 0.2765 0.2765 0.2880 0.2880 7.1062 7.1062 8.0908 8.0908 8.4218 8.4218 8.7127 8.7127 8.9796 8.9796 9.5122 9.5122 9.6950 9.6950 10.0115 10.0115 10.5305 10.5305 10.6583 10.6583 10.8727 10.8727 11.0251 11.0251 11.9461 11.9461 13.7212 13.7212 14.4454 14.4454 16.3072 16.3072 16.4347 16.4347 16.4982 16.4982 16.7567 16.7567 k = 0.3750 0.2165 0.6124 ( 3108 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8579 -13.8579 -13.8547 -13.8547 -0.5741 -0.5741 -0.5684 -0.5684 0.2481 0.2481 0.2764 0.2764 0.2882 0.2882 7.1119 7.1119 8.0663 8.0663 8.4251 8.4251 8.7103 8.7103 8.9834 8.9834 9.5250 9.5250 9.7025 9.7025 10.0142 10.0142 10.5430 10.5430 10.6739 10.6739 10.9159 10.9159 11.0022 11.0022 11.9363 11.9363 13.6811 13.6811 14.4034 14.4034 16.3160 16.3160 16.4303 16.4303 16.4611 16.4611 16.7662 16.7662 k = 0.6250-0.0722 0.4082 ( 3108 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8579 -13.8579 -13.8547 -13.8547 -0.5741 -0.5741 -0.5684 -0.5684 0.2481 0.2481 0.2764 0.2764 0.2882 0.2882 7.1119 7.1119 8.0663 8.0663 8.4251 8.4251 8.7103 8.7103 8.9834 8.9834 9.5250 9.5250 9.7025 9.7025 10.0142 10.0142 10.5430 10.5430 10.6739 10.6739 10.9159 10.9159 11.0022 11.0022 11.9363 11.9363 13.6811 13.6811 14.4034 14.4034 16.3160 16.3160 16.4303 16.4303 16.4611 16.4611 16.7662 16.7662 k = 0.6176-0.0849 0.4082 ( 3114 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8580 -13.8580 -13.8547 -13.8547 -0.5745 -0.5745 -0.5684 -0.5684 0.2477 0.2477 0.2762 0.2762 0.2884 0.2884 7.1179 7.1179 8.0245 8.0245 8.4320 8.4320 8.7056 8.7056 8.9915 8.9915 9.5442 9.5442 9.7133 9.7133 10.0187 10.0187 10.5580 10.5580 10.7015 10.7015 10.9443 10.9443 11.0150 11.0150 11.9324 11.9324 13.6136 13.6136 14.3350 14.3350 16.3285 16.3285 16.3970 16.3970 16.4312 16.4312 16.7852 16.7852 k = 0.6103-0.0976 0.4082 ( 3122 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8580 -13.8580 -13.8547 -13.8547 -0.5749 -0.5749 -0.5684 -0.5684 0.2473 0.2473 0.2758 0.2758 0.2885 0.2885 7.1216 7.1216 7.9845 7.9845 8.4391 8.4391 8.7002 8.7002 9.0018 9.0018 9.5597 9.5597 9.7233 9.7233 10.0229 10.0229 10.5659 10.5659 10.7273 10.7273 10.9163 10.9163 11.1029 11.1029 11.9291 11.9291 13.5464 13.5464 14.2671 14.2671 16.3357 16.3357 16.3465 16.3465 16.4276 16.4276 16.8037 16.8037 k = 0.6029-0.1104 0.4082 ( 3118 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8581 -13.8581 -13.8546 -13.8546 -0.5752 -0.5752 -0.5682 -0.5682 0.2470 0.2470 0.2756 0.2756 0.2888 0.2888 7.1235 7.1235 7.9465 7.9465 8.4465 8.4465 8.6943 8.6943 9.0143 9.0143 9.5716 9.5716 9.7326 9.7326 10.0267 10.0267 10.5660 10.5660 10.7433 10.7433 10.9033 10.9033 11.2020 11.2020 11.9263 11.9263 13.4800 13.4800 14.1991 14.1991 16.2895 16.2895 16.3498 16.3498 16.4276 16.4276 16.8216 16.8216 k = 0.5956-0.1231 0.4082 ( 3118 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8581 -13.8581 -13.8545 -13.8545 -0.5755 -0.5755 -0.5682 -0.5682 0.2466 0.2466 0.2754 0.2754 0.2891 0.2891 7.1239 7.1239 7.9105 7.9105 8.4541 8.4541 8.6880 8.6880 9.0287 9.0287 9.5802 9.5802 9.7412 9.7412 10.0302 10.0302 10.5573 10.5573 10.7449 10.7449 10.9144 10.9144 11.3078 11.3078 11.9243 11.9243 13.4145 13.4145 14.1307 14.1307 16.2405 16.2405 16.3575 16.3575 16.4297 16.4297 16.8388 16.8388 k = 0.5882-0.1358 0.4082 ( 3110 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8582 -13.8582 -13.8545 -13.8545 -0.5757 -0.5757 -0.5680 -0.5680 0.2464 0.2464 0.2753 0.2753 0.2895 0.2895 7.1231 7.1231 7.8768 7.8768 8.4618 8.4618 8.6815 8.6815 9.0451 9.0451 9.5857 9.5857 9.7493 9.7493 10.0333 10.0333 10.5389 10.5389 10.7390 10.7390 10.9434 10.9434 11.4185 11.4185 11.9233 11.9233 13.3503 13.3503 14.0613 14.0613 16.1946 16.1946 16.3643 16.3643 16.4334 16.4334 16.8551 16.8551 k = 0.5809-0.1486 0.4082 ( 3114 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8582 -13.8582 -13.8544 -13.8544 -0.5761 -0.5761 -0.5679 -0.5679 0.2460 0.2460 0.2750 0.2750 0.2897 0.2897 7.1213 7.1213 7.8455 7.8455 8.4696 8.4696 8.6747 8.6747 9.0631 9.0631 9.5882 9.5882 9.7568 9.7568 10.0362 10.0362 10.5120 10.5120 10.7339 10.7339 10.9812 10.9812 11.5324 11.5324 11.9241 11.9241 13.2877 13.2877 13.9905 13.9905 16.1520 16.1520 16.3702 16.3702 16.4380 16.4380 16.8705 16.8705 k = 0.5735-0.1613 0.4082 ( 3106 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8582 -13.8582 -13.8543 -13.8543 -0.5763 -0.5763 -0.5678 -0.5678 0.2457 0.2457 0.2749 0.2749 0.2900 0.2900 7.1188 7.1188 7.8166 7.8166 8.4773 8.4773 8.6679 8.6679 9.0828 9.0828 9.5879 9.5879 9.7637 9.7637 10.0389 10.0389 10.4793 10.4793 10.7318 10.7318 11.0225 11.0225 11.6463 11.6463 11.9284 11.9284 13.2273 13.2273 13.9178 13.9178 16.1129 16.1129 16.3756 16.3756 16.4432 16.4432 16.8846 16.8846 k = 0.5662-0.1741 0.4082 ( 3116 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8583 -13.8583 -13.8543 -13.8543 -0.5767 -0.5767 -0.5678 -0.5678 0.2453 0.2453 0.2746 0.2746 0.2902 0.2902 7.1158 7.1158 7.7903 7.7903 8.4849 8.4849 8.6611 8.6611 9.1038 9.1038 9.5851 9.5851 9.7700 9.7700 10.0417 10.0417 10.4438 10.4438 10.7322 10.7322 11.0649 11.0649 11.7532 11.7532 11.9423 11.9423 13.1696 13.1696 13.8428 13.8428 16.0774 16.0774 16.3806 16.3806 16.4486 16.4486 16.8976 16.8976 k = 0.5588-0.1868 0.4082 ( 3124 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8584 -13.8584 -13.8543 -13.8543 -0.5770 -0.5770 -0.5678 -0.5678 0.2449 0.2449 0.2743 0.2743 0.2904 0.2904 7.1126 7.1126 7.7666 7.7666 8.4923 8.4923 8.6545 8.6545 9.1259 9.1259 9.5798 9.5798 9.7756 9.7756 10.0446 10.0446 10.4077 10.4077 10.7342 10.7342 11.1068 11.1068 11.8321 11.8321 11.9858 11.9858 13.1154 13.1154 13.7651 13.7651 16.0454 16.0454 16.3851 16.3851 16.4539 16.4539 16.9092 16.9092 k = 0.5515-0.1995 0.4082 ( 3122 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8584 -13.8584 -13.8542 -13.8542 -0.5773 -0.5773 -0.5677 -0.5677 0.2447 0.2447 0.2742 0.2742 0.2906 0.2906 7.1093 7.1093 7.7456 7.7456 8.4994 8.4994 8.6480 8.6480 9.1488 9.1488 9.5724 9.5724 9.7806 9.7806 10.0479 10.0479 10.3726 10.3726 10.7369 10.7369 11.1471 11.1471 11.8659 11.8659 12.0746 12.0746 13.0654 13.0654 13.6844 13.6844 16.0171 16.0171 16.3894 16.3894 16.4589 16.4589 16.9195 16.9195 k = 0.5441-0.2123 0.4082 ( 3114 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8585 -13.8585 -13.8541 -13.8541 -0.5774 -0.5774 -0.5676 -0.5676 0.2445 0.2445 0.2741 0.2741 0.2909 0.2909 7.1061 7.1061 7.7273 7.7273 8.5061 8.5061 8.6418 8.6418 9.1720 9.1720 9.5630 9.5630 9.7849 9.7849 10.0515 10.0515 10.3396 10.3396 10.7399 10.7399 11.1848 11.1848 11.8771 11.8771 12.1849 12.1849 13.0209 13.0209 13.6006 13.6006 15.9925 15.9925 16.3932 16.3932 16.4634 16.4634 16.9282 16.9282 k = 0.5368-0.2250 0.4082 ( 3104 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8585 -13.8585 -13.8541 -13.8541 -0.5774 -0.5774 -0.5675 -0.5675 0.2444 0.2444 0.2740 0.2740 0.2912 0.2912 7.1032 7.1032 7.7118 7.7118 8.5123 8.5123 8.6362 8.6362 9.1949 9.1949 9.5522 9.5522 9.7885 9.7885 10.0554 10.0554 10.3096 10.3096 10.7429 10.7429 11.2190 11.2190 11.8813 11.8813 12.2991 12.2991 12.9833 12.9833 13.5137 13.5137 15.9716 15.9716 16.3966 16.3966 16.4675 16.4675 16.9356 16.9356 k = 0.5294-0.2377 0.4082 ( 3110 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8585 -13.8585 -13.8540 -13.8540 -0.5776 -0.5776 -0.5676 -0.5676 0.2442 0.2442 0.2738 0.2738 0.2913 0.2913 7.1007 7.1007 7.6990 7.6990 8.5177 8.5177 8.6311 8.6311 9.2167 9.2167 9.5405 9.5405 9.7913 9.7913 10.0597 10.0597 10.2834 10.2834 10.7455 10.7455 11.2487 11.2487 11.8832 11.8832 12.4101 12.4101 12.9549 12.9549 13.4240 13.4240 15.9544 15.9544 16.3995 16.3995 16.4708 16.4708 16.9414 16.9414 k = 0.5221-0.2505 0.4082 ( 3118 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8586 -13.8586 -13.8540 -13.8540 -0.5778 -0.5778 -0.5676 -0.5676 0.2440 0.2440 0.2737 0.2737 0.2913 0.2913 7.0986 7.0986 7.6891 7.6891 8.5223 8.5223 8.6267 8.6267 9.2361 9.2361 9.5290 9.5290 9.7934 9.7934 10.0639 10.0639 10.2617 10.2617 10.7476 10.7476 11.2729 11.2729 11.8840 11.8840 12.5116 12.5116 12.9397 12.9397 13.3325 13.3325 15.9410 15.9410 16.4018 16.4018 16.4735 16.4735 16.9459 16.9459 k = 0.5147-0.2632 0.4082 ( 3118 PWs) bands (ev): -35.3830 -35.3830 -14.3610 -14.3610 -13.8586 -13.8586 -13.8540 -13.8540 -0.5779 -0.5779 -0.5675 -0.5675 0.2439 0.2439 0.2736 0.2736 0.2914 0.2914 7.0971 7.0971 7.6819 7.6819 8.5258 8.5258 8.6234 8.6234 9.2520 9.2520 9.5190 9.5190 9.7949 9.7949 10.0677 10.0677 10.2453 10.2453 10.7492 10.7492 11.2910 11.2910 11.8843 11.8843 12.5948 12.5948 12.9439 12.9439 13.2414 13.2414 15.9314 15.9314 16.4035 16.4035 16.4755 16.4755 16.9490 16.9490 k = 0.5074-0.2759 0.4082 ( 3138 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8586 -13.8586 -13.8541 -13.8541 -0.5781 -0.5781 -0.5677 -0.5677 0.2436 0.2436 0.2735 0.2735 0.2913 0.2913 7.0961 7.0961 7.6777 7.6777 8.5280 8.5280 8.6213 8.6213 9.2624 9.2624 9.5119 9.5119 9.7958 9.7958 10.0704 10.0704 10.2350 10.2350 10.7502 10.7502 11.3021 11.3021 11.8844 11.8844 12.6483 12.6483 12.9722 12.9722 13.1573 13.1573 15.9256 15.9256 16.4045 16.4045 16.4767 16.4767 16.9509 16.9509 k = 0.5000-0.2887 0.4082 ( 3138 PWs) bands (ev): -35.3830 -35.3830 -14.3611 -14.3611 -13.8586 -13.8586 -13.8540 -13.8540 -0.5781 -0.5781 -0.5677 -0.5677 0.2436 0.2436 0.2735 0.2735 0.2913 0.2913 7.0958 7.0958 7.6762 7.6762 8.5287 8.5287 8.6206 8.6206 9.2661 9.2661 9.5094 9.5094 9.7961 9.7961 10.0714 10.0714 10.2314 10.2314 10.7505 10.7505 11.3059 11.3059 11.8844 11.8844 12.6660 12.6660 13.0006 13.0006 13.1104 13.1104 15.9237 15.9237 16.4048 16.4048 16.4771 16.4771 16.9515 16.9515 Writing output data file ScInAu2.save init_run : 0.34s CPU 0.47s WALL ( 1 calls) electrons : 206.77s CPU 209.45s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 206.76s CPU 209.44s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.10s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 315 calls) cegterg : 189.66s CPU 191.84s WALL ( 459 calls) Called by sum_band: Called by *egterg: h_psi : 115.96s CPU 117.77s WALL ( 7676 calls) s_psi : 6.42s CPU 6.30s WALL ( 7676 calls) g_psi : 0.29s CPU 0.24s WALL ( 6902 calls) cdiaghg : 61.86s CPU 62.52s WALL ( 7217 calls) cegterg:over : 6.30s CPU 6.56s WALL ( 6902 calls) cegterg:upda : 4.96s CPU 4.90s WALL ( 6902 calls) cegterg:last : 3.16s CPU 3.13s WALL ( 1404 calls) cdiaghg:chol : 3.51s CPU 3.52s WALL ( 7217 calls) cdiaghg:inve : 2.47s CPU 2.43s WALL ( 7217 calls) cdiaghg:para : 3.88s CPU 3.96s WALL ( 14434 calls) Called by h_psi: h_psi:vloc : 102.60s CPU 104.26s WALL ( 7676 calls) h_psi:vnl : 13.18s CPU 13.27s WALL ( 7676 calls) add_vuspsi : 6.96s CPU 7.12s WALL ( 7676 calls) General routines calbec : 6.17s CPU 6.13s WALL ( 7676 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 95.56s CPU 97.44s WALL ( 1019484 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.16s WALL ( 630 calls) Parallel routines fft_scatter : 29.60s CPU 30.37s WALL ( 1019507 calls) PWSCF : 3m42.22s CPU 3m54.73s WALL This run was terminated on: 13:28:51 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=