Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 14:39:24 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: ./ScInAg2.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 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 62 31 8 1934 687 103 Max 63 32 9 1937 705 109 Sum 2233 1135 313 69665 25125 3839 bravais-lattice index = 14 lattice parameter (alat) = 8.9795 a.u. unit-cell volume = 511.9698 (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 = 402.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.979520 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 Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd 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 1237 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) Ag 11.00 107.86820 Ag( 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 0.2340425), wk = 0.0031746 k( 24) = ( 0.2446809 0.0000000 0.2446808), wk = 0.0031746 k( 25) = ( 0.2553191 -0.0000000 0.2553191), wk = 0.0031746 k( 26) = ( 0.2659574 -0.0000000 0.2659574), 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 0.0853658), 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 0.1951219 0.1951219), 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 0.4146341), 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 0.5818965), 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 0.7058823), 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 0.7058823), 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 0.5808823), 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 0.4558823 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 0.5431034), 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 0.7068965), 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 0.5808823), 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: 69665 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 25125 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 0.01 Mb ( 1936) G-vector shells 0.00 Mb ( 496) 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 : ./ScInAg2.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 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 3.8 secs Computing kpt #: 3 total cpu time spent up to now is 4.3 secs Computing kpt #: 4 total cpu time spent up to now is 4.8 secs Computing kpt #: 5 total cpu time spent up to now is 5.3 secs Computing kpt #: 6 total cpu time spent up to now is 5.7 secs Computing kpt #: 7 total cpu time spent up to now is 6.2 secs Computing kpt #: 8 total cpu time spent up to now is 6.7 secs Computing kpt #: 9 total cpu time spent up to now is 7.2 secs Computing kpt #: 10 total cpu time spent up to now is 7.7 secs Computing kpt #: 11 total cpu time spent up to now is 8.1 secs Computing kpt #: 12 total cpu time spent up to now is 8.6 secs Computing kpt #: 13 total cpu time spent up to now is 9.1 secs Computing kpt #: 14 total cpu time spent up to now is 9.6 secs Computing kpt #: 15 total cpu time spent up to now is 10.2 secs Computing kpt #: 16 total cpu time spent up to now is 10.8 secs Computing kpt #: 17 total cpu time spent up to now is 11.4 secs Computing kpt #: 18 total cpu time spent up to now is 11.9 secs Computing kpt #: 19 total cpu time spent up to now is 12.4 secs Computing kpt #: 20 total cpu time spent up to now is 12.9 secs Computing kpt #: 21 total cpu time spent up to now is 13.4 secs Computing kpt #: 22 total cpu time spent up to now is 13.9 secs Computing kpt #: 23 total cpu time spent up to now is 14.4 secs Computing kpt #: 24 total cpu time spent up to now is 14.9 secs Computing kpt #: 25 total cpu time spent up to now is 15.3 secs Computing kpt #: 26 total cpu time spent up to now is 15.8 secs Computing kpt #: 27 total cpu time spent up to now is 16.3 secs Computing kpt #: 28 total cpu time spent up to now is 16.8 secs Computing kpt #: 29 total cpu time spent up to now is 17.3 secs Computing kpt #: 30 total cpu time spent up to now is 17.8 secs Computing kpt #: 31 total cpu time spent up to now is 18.3 secs Computing kpt #: 32 total cpu time spent up to now is 18.8 secs Computing kpt #: 33 total cpu time spent up to now is 19.3 secs Computing kpt #: 34 total cpu time spent up to now is 19.9 secs Computing kpt #: 35 total cpu time spent up to now is 20.4 secs Computing kpt #: 36 total cpu time spent up to now is 20.9 secs Computing kpt #: 37 total cpu time spent up to now is 21.4 secs Computing kpt #: 38 total cpu time spent up to now is 21.9 secs Computing kpt #: 39 total cpu time spent up to now is 22.4 secs Computing kpt #: 40 total cpu time spent up to now is 22.8 secs Computing kpt #: 41 total cpu time spent up to now is 23.3 secs Computing kpt #: 42 total cpu time spent up to now is 23.8 secs Computing kpt #: 43 total cpu time spent up to now is 24.3 secs Computing kpt #: 44 total cpu time spent up to now is 24.7 secs Computing kpt #: 45 total cpu time spent up to now is 25.2 secs Computing kpt #: 46 total cpu time spent up to now is 25.7 secs Computing kpt #: 47 total cpu time spent up to now is 26.1 secs Computing kpt #: 48 total cpu time spent up to now is 26.6 secs Computing kpt #: 49 total cpu time spent up to now is 27.1 secs Computing kpt #: 50 total cpu time spent up to now is 27.5 secs Computing kpt #: 51 total cpu time spent up to now is 28.0 secs Computing kpt #: 52 total cpu time spent up to now is 28.5 secs Computing kpt #: 53 total cpu time spent up to now is 28.9 secs Computing kpt #: 54 total cpu time spent up to now is 29.4 secs Computing kpt #: 55 total cpu time spent up to now is 29.9 secs Computing kpt #: 56 total cpu time spent up to now is 30.4 secs Computing kpt #: 57 total cpu time spent up to now is 30.9 secs Computing kpt #: 58 total cpu time spent up to now is 31.3 secs Computing kpt #: 59 total cpu time spent up to now is 31.8 secs Computing kpt #: 60 total cpu time spent up to now is 32.3 secs Computing kpt #: 61 total cpu time spent up to now is 32.8 secs Computing kpt #: 62 total cpu time spent up to now is 33.2 secs Computing kpt #: 63 total cpu time spent up to now is 33.7 secs Computing kpt #: 64 total cpu time spent up to now is 34.1 secs Computing kpt #: 65 total cpu time spent up to now is 34.6 secs Computing kpt #: 66 total cpu time spent up to now is 35.1 secs Computing kpt #: 67 total cpu time spent up to now is 35.5 secs Computing kpt #: 68 total cpu time spent up to now is 36.0 secs Computing kpt #: 69 total cpu time spent up to now is 36.4 secs Computing kpt #: 70 total cpu time spent up to now is 36.8 secs Computing kpt #: 71 total cpu time spent up to now is 37.3 secs Computing kpt #: 72 total cpu time spent up to now is 37.7 secs Computing kpt #: 73 total cpu time spent up to now is 38.2 secs Computing kpt #: 74 total cpu time spent up to now is 38.6 secs Computing kpt #: 75 total cpu time spent up to now is 39.0 secs Computing kpt #: 76 total cpu time spent up to now is 39.5 secs Computing kpt #: 77 total cpu time spent up to now is 39.9 secs Computing kpt #: 78 total cpu time spent up to now is 40.4 secs Computing kpt #: 79 total cpu time spent up to now is 40.8 secs Computing kpt #: 80 total cpu time spent up to now is 41.3 secs Computing kpt #: 81 total cpu time spent up to now is 41.7 secs Computing kpt #: 82 total cpu time spent up to now is 42.2 secs Computing kpt #: 83 total cpu time spent up to now is 42.7 secs Computing kpt #: 84 total cpu time spent up to now is 43.1 secs Computing kpt #: 85 total cpu time spent up to now is 43.6 secs Computing kpt #: 86 total cpu time spent up to now is 44.1 secs Computing kpt #: 87 total cpu time spent up to now is 44.6 secs Computing kpt #: 88 total cpu time spent up to now is 45.0 secs Computing kpt #: 89 total cpu time spent up to now is 45.5 secs Computing kpt #: 90 total cpu time spent up to now is 46.0 secs Computing kpt #: 91 total cpu time spent up to now is 46.4 secs Computing kpt #: 92 total cpu time spent up to now is 46.9 secs Computing kpt #: 93 total cpu time spent up to now is 47.3 secs Computing kpt #: 94 total cpu time spent up to now is 47.8 secs Computing kpt #: 95 total cpu time spent up to now is 48.3 secs Computing kpt #: 96 total cpu time spent up to now is 48.7 secs Computing kpt #: 97 total cpu time spent up to now is 49.2 secs Computing kpt #: 98 total cpu time spent up to now is 49.7 secs Computing kpt #: 99 total cpu time spent up to now is 50.2 secs Computing kpt #: 100 total cpu time spent up to now is 50.6 secs Computing kpt #: 101 total cpu time spent up to now is 51.1 secs Computing kpt #: 102 total cpu time spent up to now is 51.6 secs Computing kpt #: 103 total cpu time spent up to now is 52.1 secs Computing kpt #: 104 total cpu time spent up to now is 52.6 secs Computing kpt #: 105 total cpu time spent up to now is 53.1 secs Computing kpt #: 106 total cpu time spent up to now is 53.6 secs Computing kpt #: 107 total cpu time spent up to now is 54.1 secs Computing kpt #: 108 total cpu time spent up to now is 54.6 secs Computing kpt #: 109 total cpu time spent up to now is 55.1 secs Computing kpt #: 110 total cpu time spent up to now is 55.7 secs Computing kpt #: 111 total cpu time spent up to now is 56.2 secs Computing kpt #: 112 total cpu time spent up to now is 56.7 secs Computing kpt #: 113 total cpu time spent up to now is 57.2 secs Computing kpt #: 114 total cpu time spent up to now is 57.6 secs Computing kpt #: 115 total cpu time spent up to now is 58.1 secs Computing kpt #: 116 total cpu time spent up to now is 58.6 secs Computing kpt #: 117 total cpu time spent up to now is 59.1 secs Computing kpt #: 118 total cpu time spent up to now is 59.6 secs Computing kpt #: 119 total cpu time spent up to now is 60.2 secs Computing kpt #: 120 total cpu time spent up to now is 60.7 secs Computing kpt #: 121 total cpu time spent up to now is 61.2 secs Computing kpt #: 122 total cpu time spent up to now is 61.8 secs Computing kpt #: 123 total cpu time spent up to now is 62.3 secs Computing kpt #: 124 total cpu time spent up to now is 62.9 secs Computing kpt #: 125 total cpu time spent up to now is 63.4 secs Computing kpt #: 126 total cpu time spent up to now is 63.9 secs Computing kpt #: 127 total cpu time spent up to now is 64.5 secs Computing kpt #: 128 total cpu time spent up to now is 65.0 secs Computing kpt #: 129 total cpu time spent up to now is 65.5 secs Computing kpt #: 130 total cpu time spent up to now is 66.0 secs Computing kpt #: 131 total cpu time spent up to now is 66.5 secs Computing kpt #: 132 total cpu time spent up to now is 67.0 secs Computing kpt #: 133 total cpu time spent up to now is 67.5 secs Computing kpt #: 134 total cpu time spent up to now is 68.0 secs Computing kpt #: 135 total cpu time spent up to now is 68.5 secs Computing kpt #: 136 total cpu time spent up to now is 68.9 secs Computing kpt #: 137 total cpu time spent up to now is 69.4 secs Computing kpt #: 138 total cpu time spent up to now is 69.9 secs Computing kpt #: 139 total cpu time spent up to now is 70.4 secs Computing kpt #: 140 total cpu time spent up to now is 70.9 secs Computing kpt #: 141 total cpu time spent up to now is 71.5 secs Computing kpt #: 142 total cpu time spent up to now is 71.9 secs Computing kpt #: 143 total cpu time spent up to now is 72.4 secs Computing kpt #: 144 total cpu time spent up to now is 72.9 secs Computing kpt #: 145 total cpu time spent up to now is 73.5 secs Computing kpt #: 146 total cpu time spent up to now is 74.0 secs Computing kpt #: 147 total cpu time spent up to now is 74.4 secs Computing kpt #: 148 total cpu time spent up to now is 74.9 secs Computing kpt #: 149 total cpu time spent up to now is 75.4 secs Computing kpt #: 150 total cpu time spent up to now is 75.9 secs Computing kpt #: 151 total cpu time spent up to now is 76.4 secs Computing kpt #: 152 total cpu time spent up to now is 76.9 secs Computing kpt #: 153 total cpu time spent up to now is 77.4 secs Computing kpt #: 154 total cpu time spent up to now is 77.9 secs Computing kpt #: 155 total cpu time spent up to now is 78.4 secs Computing kpt #: 156 total cpu time spent up to now is 79.0 secs Computing kpt #: 157 total cpu time spent up to now is 79.5 secs Computing kpt #: 158 total cpu time spent up to now is 80.1 secs Computing kpt #: 159 total cpu time spent up to now is 80.6 secs Computing kpt #: 160 total cpu time spent up to now is 81.1 secs Computing kpt #: 161 total cpu time spent up to now is 81.6 secs Computing kpt #: 162 total cpu time spent up to now is 82.1 secs Computing kpt #: 163 total cpu time spent up to now is 82.6 secs Computing kpt #: 164 total cpu time spent up to now is 83.1 secs Computing kpt #: 165 total cpu time spent up to now is 83.6 secs Computing kpt #: 166 total cpu time spent up to now is 84.1 secs Computing kpt #: 167 total cpu time spent up to now is 84.7 secs Computing kpt #: 168 total cpu time spent up to now is 85.2 secs Computing kpt #: 169 total cpu time spent up to now is 85.7 secs Computing kpt #: 170 total cpu time spent up to now is 86.2 secs Computing kpt #: 171 total cpu time spent up to now is 86.8 secs Computing kpt #: 172 total cpu time spent up to now is 87.3 secs Computing kpt #: 173 total cpu time spent up to now is 87.8 secs Computing kpt #: 174 total cpu time spent up to now is 88.3 secs Computing kpt #: 175 total cpu time spent up to now is 88.9 secs Computing kpt #: 176 total cpu time spent up to now is 89.4 secs Computing kpt #: 177 total cpu time spent up to now is 89.9 secs Computing kpt #: 178 total cpu time spent up to now is 90.4 secs Computing kpt #: 179 total cpu time spent up to now is 90.9 secs Computing kpt #: 180 total cpu time spent up to now is 91.4 secs Computing kpt #: 181 total cpu time spent up to now is 91.9 secs Computing kpt #: 182 total cpu time spent up to now is 92.5 secs Computing kpt #: 183 total cpu time spent up to now is 93.0 secs Computing kpt #: 184 total cpu time spent up to now is 93.6 secs Computing kpt #: 185 total cpu time spent up to now is 94.1 secs Computing kpt #: 186 total cpu time spent up to now is 94.7 secs Computing kpt #: 187 total cpu time spent up to now is 95.2 secs Computing kpt #: 188 total cpu time spent up to now is 95.7 secs Computing kpt #: 189 total cpu time spent up to now is 96.2 secs Computing kpt #: 190 total cpu time spent up to now is 96.8 secs Computing kpt #: 191 total cpu time spent up to now is 97.3 secs Computing kpt #: 192 total cpu time spent up to now is 97.8 secs Computing kpt #: 193 total cpu time spent up to now is 98.4 secs Computing kpt #: 194 total cpu time spent up to now is 98.9 secs Computing kpt #: 195 total cpu time spent up to now is 99.5 secs Computing kpt #: 196 total cpu time spent up to now is 100.0 secs Computing kpt #: 197 total cpu time spent up to now is 100.5 secs Computing kpt #: 198 total cpu time spent up to now is 101.0 secs Computing kpt #: 199 total cpu time spent up to now is 101.5 secs Computing kpt #: 200 total cpu time spent up to now is 102.0 secs Computing kpt #: 201 total cpu time spent up to now is 102.5 secs Computing kpt #: 202 total cpu time spent up to now is 103.0 secs Computing kpt #: 203 total cpu time spent up to now is 103.5 secs Computing kpt #: 204 total cpu time spent up to now is 104.0 secs Computing kpt #: 205 total cpu time spent up to now is 104.5 secs Computing kpt #: 206 total cpu time spent up to now is 105.0 secs Computing kpt #: 207 total cpu time spent up to now is 105.5 secs Computing kpt #: 208 total cpu time spent up to now is 105.9 secs Computing kpt #: 209 total cpu time spent up to now is 106.4 secs Computing kpt #: 210 total cpu time spent up to now is 106.9 secs Computing kpt #: 211 total cpu time spent up to now is 107.3 secs Computing kpt #: 212 total cpu time spent up to now is 107.8 secs Computing kpt #: 213 total cpu time spent up to now is 108.3 secs Computing kpt #: 214 total cpu time spent up to now is 108.7 secs Computing kpt #: 215 total cpu time spent up to now is 109.2 secs Computing kpt #: 216 total cpu time spent up to now is 109.7 secs Computing kpt #: 217 total cpu time spent up to now is 110.1 secs Computing kpt #: 218 total cpu time spent up to now is 110.6 secs Computing kpt #: 219 total cpu time spent up to now is 111.1 secs Computing kpt #: 220 total cpu time spent up to now is 111.6 secs Computing kpt #: 221 total cpu time spent up to now is 112.0 secs Computing kpt #: 222 total cpu time spent up to now is 112.5 secs Computing kpt #: 223 total cpu time spent up to now is 113.0 secs Computing kpt #: 224 total cpu time spent up to now is 113.4 secs Computing kpt #: 225 total cpu time spent up to now is 113.9 secs Computing kpt #: 226 total cpu time spent up to now is 114.4 secs Computing kpt #: 227 total cpu time spent up to now is 114.8 secs Computing kpt #: 228 total cpu time spent up to now is 115.3 secs Computing kpt #: 229 total cpu time spent up to now is 115.7 secs Computing kpt #: 230 total cpu time spent up to now is 116.1 secs Computing kpt #: 231 total cpu time spent up to now is 116.6 secs Computing kpt #: 232 total cpu time spent up to now is 117.0 secs Computing kpt #: 233 total cpu time spent up to now is 117.5 secs Computing kpt #: 234 total cpu time spent up to now is 117.9 secs Computing kpt #: 235 total cpu time spent up to now is 118.3 secs Computing kpt #: 236 total cpu time spent up to now is 118.8 secs Computing kpt #: 237 total cpu time spent up to now is 119.2 secs Computing kpt #: 238 total cpu time spent up to now is 119.7 secs Computing kpt #: 239 total cpu time spent up to now is 120.1 secs Computing kpt #: 240 total cpu time spent up to now is 120.6 secs Computing kpt #: 241 total cpu time spent up to now is 121.0 secs Computing kpt #: 242 total cpu time spent up to now is 121.5 secs Computing kpt #: 243 total cpu time spent up to now is 121.9 secs Computing kpt #: 244 total cpu time spent up to now is 122.4 secs Computing kpt #: 245 total cpu time spent up to now is 122.9 secs Computing kpt #: 246 total cpu time spent up to now is 123.3 secs Computing kpt #: 247 total cpu time spent up to now is 123.8 secs Computing kpt #: 248 total cpu time spent up to now is 124.3 secs Computing kpt #: 249 total cpu time spent up to now is 124.8 secs Computing kpt #: 250 total cpu time spent up to now is 125.3 secs Computing kpt #: 251 total cpu time spent up to now is 125.8 secs Computing kpt #: 252 total cpu time spent up to now is 126.3 secs Computing kpt #: 253 total cpu time spent up to now is 126.8 secs Computing kpt #: 254 total cpu time spent up to now is 127.3 secs Computing kpt #: 255 total cpu time spent up to now is 127.8 secs Computing kpt #: 256 total cpu time spent up to now is 128.3 secs Computing kpt #: 257 total cpu time spent up to now is 128.8 secs Computing kpt #: 258 total cpu time spent up to now is 129.3 secs Computing kpt #: 259 total cpu time spent up to now is 129.8 secs Computing kpt #: 260 total cpu time spent up to now is 130.3 secs Computing kpt #: 261 total cpu time spent up to now is 130.8 secs Computing kpt #: 262 total cpu time spent up to now is 131.3 secs Computing kpt #: 263 total cpu time spent up to now is 131.9 secs Computing kpt #: 264 total cpu time spent up to now is 132.4 secs Computing kpt #: 265 total cpu time spent up to now is 132.9 secs Computing kpt #: 266 total cpu time spent up to now is 133.5 secs Computing kpt #: 267 total cpu time spent up to now is 134.0 secs Computing kpt #: 268 total cpu time spent up to now is 134.5 secs Computing kpt #: 269 total cpu time spent up to now is 135.0 secs Computing kpt #: 270 total cpu time spent up to now is 135.5 secs Computing kpt #: 271 total cpu time spent up to now is 136.0 secs Computing kpt #: 272 total cpu time spent up to now is 136.6 secs Computing kpt #: 273 total cpu time spent up to now is 137.1 secs Computing kpt #: 274 total cpu time spent up to now is 137.7 secs Computing kpt #: 275 total cpu time spent up to now is 138.2 secs Computing kpt #: 276 total cpu time spent up to now is 138.7 secs Computing kpt #: 277 total cpu time spent up to now is 139.3 secs Computing kpt #: 278 total cpu time spent up to now is 139.8 secs Computing kpt #: 279 total cpu time spent up to now is 140.3 secs Computing kpt #: 280 total cpu time spent up to now is 140.9 secs Computing kpt #: 281 total cpu time spent up to now is 141.4 secs Computing kpt #: 282 total cpu time spent up to now is 141.9 secs Computing kpt #: 283 total cpu time spent up to now is 142.4 secs Computing kpt #: 284 total cpu time spent up to now is 142.9 secs Computing kpt #: 285 total cpu time spent up to now is 143.4 secs Computing kpt #: 286 total cpu time spent up to now is 143.9 secs Computing kpt #: 287 total cpu time spent up to now is 144.3 secs Computing kpt #: 288 total cpu time spent up to now is 144.8 secs Computing kpt #: 289 total cpu time spent up to now is 145.3 secs Computing kpt #: 290 total cpu time spent up to now is 145.8 secs Computing kpt #: 291 total cpu time spent up to now is 146.3 secs Computing kpt #: 292 total cpu time spent up to now is 146.8 secs Computing kpt #: 293 total cpu time spent up to now is 147.2 secs Computing kpt #: 294 total cpu time spent up to now is 147.7 secs Computing kpt #: 295 total cpu time spent up to now is 148.2 secs Computing kpt #: 296 total cpu time spent up to now is 148.6 secs Computing kpt #: 297 total cpu time spent up to now is 149.1 secs Computing kpt #: 298 total cpu time spent up to now is 151.8 secs Computing kpt #: 299 total cpu time spent up to now is 152.3 secs Computing kpt #: 300 total cpu time spent up to now is 152.7 secs Computing kpt #: 301 total cpu time spent up to now is 153.2 secs Computing kpt #: 302 total cpu time spent up to now is 153.7 secs Computing kpt #: 303 total cpu time spent up to now is 154.1 secs Computing kpt #: 304 total cpu time spent up to now is 154.6 secs Computing kpt #: 305 total cpu time spent up to now is 155.1 secs Computing kpt #: 306 total cpu time spent up to now is 155.6 secs Computing kpt #: 307 total cpu time spent up to now is 156.0 secs Computing kpt #: 308 total cpu time spent up to now is 156.5 secs Computing kpt #: 309 total cpu time spent up to now is 157.0 secs Computing kpt #: 310 total cpu time spent up to now is 157.4 secs Computing kpt #: 311 total cpu time spent up to now is 157.9 secs Computing kpt #: 312 total cpu time spent up to now is 158.4 secs Computing kpt #: 313 total cpu time spent up to now is 158.9 secs Computing kpt #: 314 total cpu time spent up to now is 159.4 secs Computing kpt #: 315 total cpu time spent up to now is 159.8 secs ethr = 2.17E-08, avg # of iterations = 16.4 total cpu time spent up to now is 159.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3143 PWs) bands (ev): -37.0294 -37.0294 -16.0038 -16.0038 -15.4977 -15.4977 -15.4977 -15.4977 -1.9704 -1.9704 -1.9704 -1.9704 -1.1366 -1.1366 -1.1213 -1.1213 -1.1213 -1.1213 4.2141 4.2141 7.0210 7.0210 7.0210 7.0210 7.1610 7.1610 7.1610 7.1610 7.2870 7.2870 8.1863 8.1863 8.1863 8.1863 8.4654 8.4654 8.7833 8.7833 8.7833 8.7833 12.7426 12.7426 12.8965 12.8965 12.8965 12.8965 14.6360 14.6360 14.6360 14.6360 15.8566 15.8566 15.9028 15.9028 16.3103 16.3103 k = 0.0106-0.0061 0.0087 ( 3135 PWs) bands (ev): -37.0294 -37.0294 -16.0037 -16.0037 -15.4977 -15.4977 -15.4977 -15.4977 -1.9704 -1.9704 -1.9703 -1.9703 -1.1365 -1.1365 -1.1212 -1.1212 -1.1212 -1.1212 4.2157 4.2157 7.0204 7.0204 7.0216 7.0216 7.1612 7.1612 7.1619 7.1619 7.2873 7.2873 8.1862 8.1862 8.1863 8.1863 8.4653 8.4653 8.7818 8.7818 8.7833 8.7833 12.7406 12.7406 12.8939 12.8939 12.8942 12.8942 14.6301 14.6301 14.6357 14.6357 15.8010 15.8010 15.9376 15.9376 16.3124 16.3124 k = 0.0213-0.0123 0.0174 ( 3135 PWs) bands (ev): -37.0294 -37.0294 -16.0038 -16.0038 -15.4977 -15.4977 -15.4977 -15.4977 -1.9704 -1.9704 -1.9703 -1.9703 -1.1365 -1.1365 -1.1211 -1.1211 -1.1211 -1.1211 4.2206 4.2206 7.0184 7.0184 7.0233 7.0233 7.1617 7.1617 7.1645 7.1645 7.2883 7.2883 8.1854 8.1854 8.1860 8.1860 8.4646 8.4646 8.7772 8.7772 8.7831 8.7831 12.7345 12.7345 12.8861 12.8861 12.8874 12.8874 14.6123 14.6123 14.6347 14.6347 15.7169 15.7169 15.9712 15.9712 16.3186 16.3186 k = 0.0319-0.0184 0.0261 ( 3135 PWs) bands (ev): -37.0294 -37.0294 -16.0038 -16.0038 -15.4978 -15.4978 -15.4977 -15.4977 -1.9703 -1.9703 -1.9702 -1.9702 -1.1364 -1.1364 -1.1211 -1.1211 -1.1210 -1.1210 4.2287 4.2287 7.0152 7.0152 7.0262 7.0262 7.1625 7.1625 7.1687 7.1687 7.2901 7.2901 8.1841 8.1841 8.1855 8.1855 8.4634 8.4634 8.7696 8.7696 8.7830 8.7830 12.7244 12.7244 12.8734 12.8734 12.8763 12.8763 14.5818 14.5818 14.6332 14.6332 15.6314 15.6314 15.9979 15.9979 16.3283 16.3283 k = 0.0426-0.0246 0.0347 ( 3135 PWs) bands (ev): -37.0294 -37.0294 -16.0038 -16.0038 -15.4978 -15.4978 -15.4978 -15.4978 -1.9703 -1.9703 -1.9701 -1.9701 -1.1364 -1.1364 -1.1210 -1.1210 -1.1209 -1.1209 4.2400 4.2400 7.0108 7.0108 7.0302 7.0302 7.1635 7.1635 7.1744 7.1744 7.2926 7.2926 8.1822 8.1822 8.1848 8.1848 8.4618 8.4618 8.7590 8.7590 8.7827 8.7827 12.7106 12.7106 12.8558 12.8558 12.8610 12.8610 14.5378 14.5378 14.6309 14.6309 15.5526 15.5526 16.0233 16.0233 16.3411 16.3411 k = 0.0532-0.0307 0.0434 ( 3135 PWs) bands (ev): -37.0294 -37.0294 -16.0038 -16.0038 -15.4979 -15.4979 -15.4978 -15.4978 -1.9703 -1.9703 -1.9699 -1.9699 -1.1363 -1.1363 -1.1208 -1.1208 -1.1207 -1.1207 4.2545 4.2545 7.0053 7.0053 7.0354 7.0354 7.1649 7.1649 7.1816 7.1816 7.2958 7.2958 8.1798 8.1798 8.1838 8.1838 8.4597 8.4597 8.7456 8.7456 8.7824 8.7824 12.6932 12.6932 12.8338 12.8338 12.8418 12.8418 14.4802 14.4802 14.6281 14.6281 15.4846 15.4846 16.0499 16.0499 16.3559 16.3559 k = 0.0638-0.0369 0.0521 ( 3143 PWs) bands (ev): -37.0294 -37.0294 -16.0039 -16.0039 -15.4980 -15.4980 -15.4978 -15.4978 -1.9703 -1.9703 -1.9698 -1.9698 -1.1363 -1.1363 -1.1207 -1.1207 -1.1206 -1.1206 4.2721 4.2721 6.9986 6.9986 7.0414 7.0414 7.1666 7.1666 7.1901 7.1901 7.2998 7.2998 8.1768 8.1768 8.1827 8.1827 8.4572 8.4572 8.7293 8.7293 8.7820 8.7820 12.6724 12.6724 12.8077 12.8077 12.8192 12.8192 14.4091 14.4091 14.6246 14.6246 15.4291 15.4291 16.0779 16.0779 16.3715 16.3715 k = 0.0745-0.0430 0.0608 ( 3147 PWs) bands (ev): -37.0294 -37.0294 -16.0039 -16.0039 -15.4981 -15.4981 -15.4978 -15.4978 -1.9703 -1.9703 -1.9697 -1.9697 -1.1363 -1.1363 -1.1205 -1.1205 -1.1205 -1.1205 4.2930 4.2930 6.9910 6.9910 7.0488 7.0488 7.1686 7.1686 7.1997 7.1997 7.3047 7.3047 8.1734 8.1734 8.1812 8.1812 8.4542 8.4542 8.7104 8.7104 8.7815 8.7815 12.6486 12.6486 12.7779 12.7779 12.7936 12.7936 14.3258 14.3258 14.6206 14.6206 15.3858 15.3858 16.1066 16.1066 16.3867 16.3867 k = 0.0851-0.0491 0.0695 ( 3167 PWs) bands (ev): -37.0294 -37.0294 -16.0041 -16.0041 -15.4982 -15.4982 -15.4979 -15.4979 -1.9704 -1.9704 -1.9697 -1.9697 -1.1365 -1.1365 -1.1205 -1.1205 -1.1203 -1.1203 4.3169 4.3169 6.9822 6.9822 7.0568 7.0568 7.1708 7.1708 7.2108 7.2108 7.3102 7.3102 8.1695 8.1695 8.1794 8.1794 8.4507 8.4507 8.6891 8.6891 8.7809 8.7809 12.6219 12.6219 12.7448 12.7448 12.7653 12.7653 14.2323 14.2323 14.6159 14.6159 15.3537 15.3537 16.1348 16.1348 16.3995 16.3995 k = 0.0957-0.0553 0.0782 ( 3167 PWs) bands (ev): -37.0294 -37.0294 -16.0041 -16.0041 -15.4984 -15.4984 -15.4979 -15.4979 -1.9703 -1.9703 -1.9694 -1.9694 -1.1364 -1.1364 -1.1202 -1.1202 -1.1200 -1.1200 4.3439 4.3439 6.9727 6.9727 7.0661 7.0661 7.1734 7.1734 7.2229 7.2229 7.3170 7.3170 8.1652 8.1652 8.1774 8.1774 8.4469 8.4469 8.6655 8.6655 8.7803 8.7803 12.5929 12.5929 12.7090 12.7090 12.7349 12.7349 14.1304 14.1304 14.6108 14.6108 15.3312 15.3312 16.1608 16.1608 16.4084 16.4084 k = 0.1064-0.0614 0.0869 ( 3163 PWs) bands (ev): -37.0294 -37.0294 -16.0042 -16.0042 -15.4984 -15.4984 -15.4980 -15.4980 -1.9703 -1.9703 -1.9691 -1.9691 -1.1363 -1.1363 -1.1200 -1.1200 -1.1196 -1.1196 4.3739 4.3739 6.9622 6.9622 7.0765 7.0765 7.1763 7.1763 7.2361 7.2361 7.3247 7.3247 8.1606 8.1606 8.1750 8.1750 8.4427 8.4427 8.6401 8.6401 8.7797 8.7797 12.5617 12.5617 12.6708 12.6708 12.7028 12.7028 14.0224 14.0224 14.6050 14.6050 15.3166 15.3166 16.1829 16.1829 16.4116 16.4116 k = 0.1170-0.0676 0.0955 ( 3163 PWs) bands (ev): -37.0293 -37.0293 -16.0042 -16.0042 -15.4986 -15.4986 -15.4980 -15.4980 -1.9703 -1.9703 -1.9688 -1.9688 -1.1362 -1.1362 -1.1197 -1.1197 -1.1193 -1.1193 4.4069 4.4069 6.9510 6.9510 7.0877 7.0877 7.1793 7.1793 7.2503 7.2503 7.3333 7.3333 8.1557 8.1557 8.1722 8.1722 8.4381 8.4381 8.6126 8.6126 8.7791 8.7791 12.5286 12.5286 12.6307 12.6307 12.6695 12.6695 13.9096 13.9096 14.5988 14.5988 15.3083 15.3083 16.1991 16.1991 16.4075 16.4075 k = 0.1277-0.0737 0.1042 ( 3155 PWs) bands (ev): -37.0293 -37.0293 -16.0043 -16.0043 -15.4987 -15.4987 -15.4980 -15.4980 -1.9702 -1.9702 -1.9684 -1.9684 -1.1361 -1.1361 -1.1193 -1.1193 -1.1189 -1.1189 4.4428 4.4428 6.9390 6.9390 7.1000 7.1000 7.1828 7.1828 7.2654 7.2654 7.3431 7.3431 8.1505 8.1505 8.1689 8.1689 8.4329 8.4329 8.5837 8.5837 8.7785 8.7785 12.4939 12.4939 12.5890 12.5890 12.6354 12.6354 13.7934 13.7934 14.5921 14.5921 15.3051 15.3051 16.2076 16.2076 16.3947 16.3947 k = 0.1383-0.0798 0.1129 ( 3155 PWs) bands (ev): -37.0293 -37.0293 -16.0043 -16.0043 -15.4988 -15.4988 -15.4981 -15.4981 -1.9701 -1.9701 -1.9681 -1.9681 -1.1360 -1.1360 -1.1189 -1.1189 -1.1185 -1.1185 4.4816 4.4816 6.9263 6.9263 7.1128 7.1128 7.1866 7.1866 7.2814 7.2814 7.3536 7.3536 8.1450 8.1450 8.1652 8.1652 8.4270 8.4270 8.5537 8.5537 8.7778 8.7778 12.4578 12.4578 12.5460 12.5460 12.6008 12.6008 13.6747 13.6747 14.5849 14.5849 15.3061 15.3061 16.2069 16.2069 16.3726 16.3726 k = 0.1489-0.0860 0.1216 ( 3151 PWs) bands (ev): -37.0293 -37.0293 -16.0044 -16.0044 -15.4990 -15.4990 -15.4981 -15.4981 -1.9700 -1.9700 -1.9677 -1.9677 -1.1358 -1.1358 -1.1185 -1.1185 -1.1182 -1.1182 4.5231 4.5231 6.9131 6.9131 7.1264 7.1264 7.1909 7.1909 7.2982 7.2982 7.3652 7.3652 8.1393 8.1393 8.1608 8.1608 8.4200 8.4200 8.5236 8.5236 8.7772 8.7772 12.4205 12.4205 12.5022 12.5022 12.5662 12.5662 13.5543 13.5543 14.5772 14.5772 15.3104 15.3104 16.1961 16.1961 16.3411 16.3411 k = 0.1596-0.0921 0.1303 ( 3151 PWs) bands (ev): -37.0293 -37.0293 -16.0045 -16.0045 -15.4991 -15.4991 -15.4981 -15.4981 -1.9699 -1.9699 -1.9674 -1.9674 -1.1358 -1.1358 -1.1180 -1.1180 -1.1179 -1.1179 4.5672 4.5672 6.8993 6.8993 7.1403 7.1403 7.1955 7.1955 7.3158 7.3158 7.3775 7.3775 8.1335 8.1335 8.1558 8.1558 8.4108 8.4108 8.4944 8.4944 8.7765 8.7765 12.3823 12.3823 12.4577 12.4577 12.5318 12.5318 13.4326 13.4326 14.5692 14.5692 15.3175 15.3175 16.1748 16.1748 16.3005 16.3005 k = 0.1702-0.0983 0.1390 ( 3155 PWs) bands (ev): -37.0293 -37.0293 -16.0046 -16.0046 -15.4993 -15.4993 -15.4982 -15.4982 -1.9699 -1.9699 -1.9671 -1.9671 -1.1358 -1.1358 -1.1177 -1.1177 -1.1176 -1.1176 4.6139 4.6139 6.8852 6.8852 7.1543 7.1543 7.2009 7.2009 7.3341 7.3341 7.3907 7.3907 8.1275 8.1275 8.1499 8.1499 8.3977 8.3977 8.4685 8.4685 8.7757 8.7757 12.3434 12.3434 12.4128 12.4128 12.4978 12.4978 13.3099 13.3099 14.5607 14.5607 15.3269 15.3269 16.1433 16.1433 16.2517 16.2517 k = 0.1809-0.1044 0.1477 ( 3155 PWs) bands (ev): -37.0293 -37.0293 -16.0047 -16.0047 -15.4995 -15.4995 -15.4982 -15.4982 -1.9698 -1.9698 -1.9668 -1.9668 -1.1357 -1.1357 -1.1174 -1.1174 -1.1171 -1.1171 4.6630 4.6630 6.8707 6.8707 7.1681 7.1681 7.2073 7.2073 7.3529 7.3529 7.4048 7.4048 8.1216 8.1216 8.1431 8.1431 8.3785 8.3785 8.4485 8.4485 8.7750 8.7750 12.3040 12.3040 12.3679 12.3679 12.4645 12.4645 13.1866 13.1866 14.5520 14.5520 15.3382 15.3382 16.1026 16.1026 16.1958 16.1958 k = 0.1915-0.1106 0.1564 ( 3155 PWs) bands (ev): -37.0293 -37.0293 -16.0048 -16.0048 -15.4996 -15.4996 -15.4983 -15.4983 -1.9697 -1.9697 -1.9665 -1.9665 -1.1357 -1.1357 -1.1171 -1.1171 -1.1166 -1.1166 4.7144 4.7144 6.8562 6.8562 7.1807 7.1807 7.2155 7.2155 7.3722 7.3722 7.4198 7.4198 8.1159 8.1159 8.1352 8.1352 8.3530 8.3530 8.4350 8.4350 8.7742 8.7742 12.2644 12.2644 12.3230 12.3230 12.4321 12.4321 13.0626 13.0626 14.5429 14.5429 15.3512 15.3512 16.0537 16.0537 16.1341 16.1341 k = 0.2021-0.1167 0.1650 ( 3163 PWs) bands (ev): -37.0292 -37.0292 -16.0049 -16.0049 -15.4998 -15.4998 -15.4984 -15.4984 -1.9697 -1.9697 -1.9663 -1.9663 -1.1357 -1.1357 -1.1169 -1.1169 -1.1161 -1.1161 4.7680 4.7680 6.8416 6.8416 7.1915 7.1915 7.2260 7.2260 7.3918 7.3918 7.4356 7.4356 8.1101 8.1101 8.1257 8.1257 8.3240 8.3240 8.4258 8.4258 8.7735 8.7735 12.2247 12.2247 12.2784 12.2784 12.4005 12.4005 12.9382 12.9382 14.5335 14.5335 15.3654 15.3654 15.9982 15.9982 16.0679 16.0679 k = 0.2128-0.1228 0.1737 ( 3163 PWs) bands (ev): -37.0292 -37.0292 -16.0050 -16.0050 -15.5000 -15.5000 -15.4984 -15.4984 -1.9696 -1.9696 -1.9660 -1.9660 -1.1357 -1.1357 -1.1167 -1.1167 -1.1155 -1.1155 4.8235 4.8235 6.8272 6.8272 7.2001 7.2001 7.2389 7.2389 7.4115 7.4115 7.4523 7.4523 8.1050 8.1050 8.1147 8.1147 8.2938 8.2938 8.4192 8.4192 8.7728 8.7728 12.1852 12.1852 12.2342 12.2342 12.3701 12.3701 12.8133 12.8133 14.5240 14.5240 15.3806 15.3806 15.9372 15.9372 15.9981 15.9981 k = 0.2234-0.1290 0.1824 ( 3162 PWs) bands (ev): -37.0292 -37.0292 -16.0051 -16.0051 -15.5002 -15.5002 -15.4985 -15.4985 -1.9695 -1.9695 -1.9657 -1.9657 -1.1357 -1.1357 -1.1165 -1.1165 -1.1149 -1.1149 4.8808 4.8808 6.8132 6.8132 7.2072 7.2072 7.2537 7.2537 7.4312 7.4312 7.4700 7.4700 8.1000 8.1000 8.1013 8.1013 8.2646 8.2646 8.4138 8.4138 8.7722 8.7722 12.1459 12.1459 12.1904 12.1904 12.3407 12.3407 12.6882 12.6882 14.5142 14.5142 15.3966 15.3966 15.8723 15.8723 15.9260 15.9260 k = 0.2340-0.1351 0.1911 ( 3162 PWs) bands (ev): -37.0292 -37.0292 -16.0051 -16.0051 -15.5004 -15.5004 -15.4985 -15.4985 -1.9695 -1.9695 -1.9654 -1.9654 -1.1357 -1.1357 -1.1163 -1.1163 -1.1143 -1.1143 4.9396 4.9396 6.7996 6.7996 7.2133 7.2133 7.2697 7.2697 7.4505 7.4505 7.4888 7.4888 8.0853 8.0853 8.0953 8.0953 8.2374 8.2374 8.4093 8.4093 8.7715 8.7715 12.1072 12.1072 12.1470 12.1470 12.3124 12.3124 12.5628 12.5628 14.5043 14.5043 15.4130 15.4130 15.8045 15.8045 15.8524 15.8524 k = 0.2447-0.1413 0.1998 ( 3174 PWs) bands (ev): -37.0292 -37.0292 -16.0053 -16.0053 -15.5006 -15.5006 -15.4986 -15.4986 -1.9696 -1.9696 -1.9652 -1.9652 -1.1358 -1.1358 -1.1163 -1.1163 -1.1138 -1.1138 4.9997 4.9997 6.7865 6.7865 7.2187 7.2187 7.2860 7.2860 7.4693 7.4693 7.5087 7.5087 8.0663 8.0663 8.0912 8.0912 8.2130 8.2130 8.4055 8.4055 8.7710 8.7710 12.0690 12.0690 12.1041 12.1041 12.2854 12.2854 12.4375 12.4375 14.4943 14.4943 15.4295 15.4295 15.7349 15.7349 15.7780 15.7780 k = 0.2553-0.1474 0.2085 ( 3146 PWs) bands (ev): -37.0292 -37.0292 -16.0053 -16.0053 -15.5006 -15.5006 -15.4986 -15.4986 -1.9693 -1.9693 -1.9646 -1.9646 -1.1357 -1.1357 -1.1158 -1.1158 -1.1130 -1.1130 5.0609 5.0609 6.7747 6.7747 7.2240 7.2240 7.3026 7.3026 7.4878 7.4878 7.5296 7.5296 8.0449 8.0449 8.0880 8.0880 8.1921 8.1921 8.4023 8.4023 8.7707 8.7707 12.0318 12.0318 12.0612 12.0612 12.2595 12.2595 12.3128 12.3128 14.4843 14.4843 15.4457 15.4457 15.6645 15.6645 15.7035 15.7035 k = 0.2660-0.1536 0.2172 ( 3146 PWs) bands (ev): -37.0292 -37.0292 -16.0054 -16.0054 -15.5008 -15.5008 -15.4987 -15.4987 -1.9693 -1.9693 -1.9644 -1.9644 -1.1357 -1.1357 -1.1157 -1.1157 -1.1124 -1.1124 5.1227 5.1227 6.7638 6.7638 7.2290 7.2290 7.3187 7.3187 7.5055 7.5055 7.5513 7.5513 8.0211 8.0211 8.0852 8.0852 8.1739 8.1739 8.3994 8.3994 8.7703 8.7703 11.9953 11.9953 12.0166 12.0166 12.1902 12.1902 12.2348 12.2348 14.4742 14.4742 15.4608 15.4608 15.5941 15.5941 15.6296 15.6296 k = 0.2766-0.1597 0.2258 ( 3146 PWs) bands (ev): -37.0291 -37.0291 -16.0055 -16.0055 -15.5010 -15.5010 -15.4987 -15.4987 -1.9692 -1.9692 -1.9642 -1.9642 -1.1357 -1.1357 -1.1157 -1.1157 -1.1118 -1.1118 5.1849 5.1849 6.7544 6.7544 7.2338 7.2338 7.3343 7.3343 7.5226 7.5226 7.5736 7.5736 7.9961 7.9961 8.0833 8.0833 8.1580 8.1580 8.3968 8.3968 8.7700 8.7700 11.9598 11.9598 11.9647 11.9647 12.0759 12.0759 12.2113 12.2113 14.4642 14.4642 15.4727 15.4727 15.5257 15.5257 15.5566 15.5566 k = 0.2872-0.1658 0.2345 ( 3138 PWs) bands (ev): -37.0291 -37.0291 -16.0055 -16.0055 -15.5011 -15.5011 -15.4987 -15.4987 -1.9690 -1.9690 -1.9640 -1.9640 -1.1357 -1.1357 -1.1156 -1.1156 -1.1111 -1.1111 5.2470 5.2470 6.7465 6.7465 7.2385 7.2385 7.3489 7.3489 7.5392 7.5392 7.5964 7.5964 7.9710 7.9710 8.0823 8.0823 8.1440 8.1440 8.3949 8.3949 8.7697 8.7697 11.8858 11.8858 11.9253 11.9253 11.9896 11.9896 12.1891 12.1891 14.4542 14.4542 15.4482 15.4482 15.4850 15.4850 15.4917 15.4917 k = 0.2979-0.1720 0.2432 ( 3130 PWs) bands (ev): -37.0291 -37.0291 -16.0056 -16.0056 -15.5013 -15.5013 -15.4988 -15.4988 -1.9689 -1.9689 -1.9637 -1.9637 -1.1356 -1.1356 -1.1155 -1.1155 -1.1104 -1.1104 5.3087 5.3087 6.7405 6.7405 7.2430 7.2430 7.3625 7.3625 7.5552 7.5552 7.6197 7.6197 7.9466 7.9466 8.0823 8.0823 8.1313 8.1313 8.3930 8.3930 8.7695 8.7695 11.7748 11.7748 11.8921 11.8921 11.9366 11.9366 12.1679 12.1679 14.4444 14.4444 15.3828 15.3828 15.4151 15.4151 15.4954 15.4954 k = 0.3085-0.1781 0.2519 ( 3130 PWs) bands (ev): -37.0291 -37.0291 -16.0057 -16.0057 -15.5014 -15.5014 -15.4988 -15.4988 -1.9689 -1.9689 -1.9636 -1.9636 -1.1357 -1.1357 -1.1155 -1.1155 -1.1098 -1.1098 5.3693 5.3693 6.7365 6.7365 7.2474 7.2474 7.3744 7.3744 7.5707 7.5707 7.6429 7.6429 7.9236 7.9236 8.0835 8.0835 8.1194 8.1194 8.3914 8.3914 8.7695 8.7695 11.6527 11.6527 11.8601 11.8601 11.8961 11.8961 12.1480 12.1480 14.4347 14.4347 15.3168 15.3168 15.3473 15.3473 15.4934 15.4934 k = 0.3191-0.1843 0.2606 ( 3134 PWs) bands (ev): -37.0291 -37.0291 -16.0058 -16.0058 -15.5016 -15.5016 -15.4989 -15.4989 -1.9688 -1.9688 -1.9635 -1.9635 -1.1358 -1.1358 -1.1157 -1.1157 -1.1092 -1.1092 5.4285 5.4285 6.7349 6.7349 7.2516 7.2516 7.3844 7.3844 7.5857 7.5857 7.6661 7.6661 7.9027 7.9027 8.0859 8.0859 8.1082 8.1082 8.3900 8.3900 8.7695 8.7695 11.5276 11.5276 11.8294 11.8294 11.8602 11.8602 12.1291 12.1291 14.4253 14.4253 15.2526 15.2526 15.2819 15.2819 15.4800 15.4800 k = 0.3298-0.1904 0.2693 ( 3126 PWs) bands (ev): -37.0291 -37.0291 -16.0058 -16.0058 -15.5017 -15.5017 -15.4989 -15.4989 -1.9687 -1.9687 -1.9633 -1.9633 -1.1357 -1.1357 -1.1157 -1.1157 -1.1086 -1.1086 5.4856 5.4856 6.7359 6.7359 7.2557 7.2557 7.3923 7.3923 7.6002 7.6002 7.6892 7.6892 7.8848 7.8848 8.0897 8.0897 8.0975 8.0975 8.3890 8.3890 8.7697 8.7697 11.4020 11.4020 11.8001 11.8001 11.8271 11.8271 12.1115 12.1115 14.4161 14.4161 15.1907 15.1907 15.2191 15.2191 15.4519 15.4519 k = 0.3404-0.1965 0.2780 ( 3142 PWs) bands (ev): -37.0291 -37.0291 -16.0059 -16.0059 -15.5019 -15.5019 -15.4990 -15.4990 -1.9688 -1.9688 -1.9634 -1.9634 -1.1359 -1.1359 -1.1160 -1.1160 -1.1082 -1.1082 5.5401 5.5401 6.7395 6.7395 7.2594 7.2594 7.3978 7.3978 7.6138 7.6138 7.7120 7.7120 7.8699 7.8699 8.0869 8.0869 8.0948 8.0948 8.3877 8.3877 8.7701 8.7701 11.2766 11.2766 11.7723 11.7723 11.7960 11.7960 12.0949 12.0949 14.4072 14.4072 15.1315 15.1315 15.1591 15.1591 15.4104 15.4104 k = 0.3511-0.2027 0.2866 ( 3142 PWs) bands (ev): -37.0290 -37.0290 -16.0060 -16.0060 -15.5020 -15.5020 -15.4990 -15.4990 -1.9688 -1.9688 -1.9633 -1.9633 -1.1360 -1.1360 -1.1161 -1.1161 -1.1076 -1.1076 5.5915 5.5915 6.7460 6.7460 7.2631 7.2631 7.4008 7.4008 7.6270 7.6270 7.7345 7.7345 7.8585 7.8585 8.0768 8.0768 8.1016 8.1016 8.3869 8.3869 8.7706 8.7706 11.1523 11.1523 11.7459 11.7459 11.7669 11.7669 12.0795 12.0795 14.3986 14.3986 15.0750 15.0750 15.1022 15.1022 15.3606 15.3606 k = 0.3617-0.2088 0.2953 ( 3146 PWs) bands (ev): -37.0290 -37.0290 -16.0061 -16.0061 -15.5021 -15.5021 -15.4991 -15.4991 -1.9688 -1.9688 -1.9633 -1.9633 -1.1361 -1.1361 -1.1163 -1.1163 -1.1071 -1.1071 5.6394 5.6394 6.7554 6.7554 7.2666 7.2666 7.4014 7.4014 7.6397 7.6397 7.7565 7.7565 7.8507 7.8507 8.0668 8.0668 8.1100 8.1100 8.3863 8.3863 8.7713 8.7713 11.0295 11.0295 11.7211 11.7211 11.7395 11.7395 12.0652 12.0652 14.3904 14.3904 15.0217 15.0217 15.0484 15.0484 15.3074 15.3074 k = 0.3723-0.2150 0.3040 ( 3154 PWs) bands (ev): -37.0290 -37.0290 -16.0062 -16.0062 -15.5023 -15.5023 -15.4991 -15.4991 -1.9688 -1.9688 -1.9634 -1.9634 -1.1362 -1.1362 -1.1166 -1.1166 -1.1067 -1.1067 5.6832 5.6832 6.7676 6.7676 7.2699 7.2699 7.3995 7.3995 7.6518 7.6518 7.7777 7.7777 7.8461 7.8461 8.0569 8.0569 8.1200 8.1200 8.3857 8.3857 8.7722 8.7722 10.9089 10.9089 11.6979 11.6979 11.7140 11.7140 12.0520 12.0520 14.3827 14.3827 14.9716 14.9716 14.9980 14.9980 15.2544 15.2544 k = 0.3830-0.2211 0.3127 ( 3154 PWs) bands (ev): -37.0290 -37.0290 -16.0062 -16.0062 -15.5024 -15.5024 -15.4992 -15.4992 -1.9687 -1.9687 -1.9634 -1.9634 -1.1363 -1.1363 -1.1168 -1.1168 -1.1062 -1.1062 5.7227 5.7227 6.7823 6.7823 7.2730 7.2730 7.3957 7.3957 7.6633 7.6633 7.7983 7.7983 7.8448 7.8448 8.0473 8.0473 8.1319 8.1319 8.3853 8.3853 8.7733 8.7733 10.7912 10.7912 11.6763 11.6763 11.6904 11.6904 12.0399 12.0399 14.3754 14.3754 14.9250 14.9250 14.9512 14.9512 15.2035 15.2035 k = 0.3936-0.2273 0.3214 ( 3146 PWs) bands (ev): -37.0290 -37.0290 -16.0062 -16.0062 -15.5025 -15.5025 -15.4992 -15.4992 -1.9686 -1.9686 -1.9633 -1.9633 -1.1362 -1.1362 -1.1169 -1.1169 -1.1057 -1.1057 5.7579 5.7579 6.7992 6.7992 7.2758 7.2758 7.3905 7.3905 7.6742 7.6742 7.8180 7.8180 7.8463 7.8463 8.0377 8.0377 8.1455 8.1455 8.3850 8.3850 8.7748 8.7748 10.6771 10.6771 11.6564 11.6564 11.6686 11.6686 12.0289 12.0289 14.3687 14.3687 14.8820 14.8820 14.9080 14.9080 15.1560 15.1560 k = 0.4043-0.2334 0.3301 ( 3142 PWs) bands (ev): -37.0290 -37.0290 -16.0063 -16.0063 -15.5025 -15.5025 -15.4992 -15.4992 -1.9686 -1.9686 -1.9632 -1.9632 -1.1363 -1.1363 -1.1169 -1.1169 -1.1053 -1.1053 5.7885 5.7885 6.8175 6.8175 7.2784 7.2784 7.3842 7.3842 7.6844 7.6844 7.8366 7.8366 7.8501 7.8501 8.0283 8.0283 8.1608 8.1608 8.3847 8.3847 8.7764 8.7764 10.5674 10.5674 11.6383 11.6383 11.6487 11.6487 12.0190 12.0190 14.3625 14.3625 14.8427 14.8427 14.8685 14.8685 15.1124 15.1124 k = 0.4149-0.2395 0.3388 ( 3158 PWs) bands (ev): -37.0290 -37.0290 -16.0064 -16.0064 -15.5027 -15.5027 -15.4993 -15.4993 -1.9687 -1.9687 -1.9633 -1.9633 -1.1365 -1.1365 -1.1172 -1.1172 -1.1052 -1.1052 5.8148 5.8148 6.8366 6.8366 7.2808 7.2808 7.3771 7.3771 7.6939 7.6939 7.8535 7.8535 7.8555 7.8555 8.0189 8.0189 8.1775 8.1775 8.3845 8.3845 8.7780 8.7780 10.4631 10.4631 11.6220 11.6220 11.6307 11.6307 12.0101 12.0101 14.3567 14.3567 14.8072 14.8072 14.8329 14.8329 15.0731 15.0731 k = 0.4255-0.2457 0.3474 ( 3158 PWs) bands (ev): -37.0290 -37.0290 -16.0064 -16.0064 -15.5027 -15.5027 -15.4993 -15.4993 -1.9687 -1.9687 -1.9633 -1.9633 -1.1365 -1.1365 -1.1173 -1.1173 -1.1048 -1.1048 5.8369 5.8369 6.8559 6.8559 7.2829 7.2829 7.3699 7.3699 7.7026 7.7026 7.8625 7.8625 7.8692 7.8692 8.0096 8.0096 8.1954 8.1954 8.3844 8.3844 8.7801 8.7801 10.3654 10.3654 11.6074 11.6074 11.6147 11.6147 12.0023 12.0023 14.3516 14.3516 14.7757 14.7757 14.8013 14.8013 15.0382 15.0382 k = 0.4362-0.2518 0.3561 ( 3158 PWs) bands (ev): -37.0290 -37.0290 -16.0064 -16.0064 -15.5028 -15.5028 -15.4993 -15.4993 -1.9687 -1.9687 -1.9633 -1.9633 -1.1366 -1.1366 -1.1174 -1.1174 -1.1046 -1.1046 5.8552 5.8552 6.8744 6.8744 7.2847 7.2847 7.3630 7.3630 7.7105 7.7105 7.8703 7.8703 7.8831 7.8831 8.0005 8.0005 8.2140 8.2140 8.3843 8.3843 8.7825 8.7825 10.2757 10.2757 11.5948 11.5948 11.6008 11.6008 11.9955 11.9955 14.3472 14.3472 14.7482 14.7482 14.7738 14.7738 15.0079 15.0079 k = 0.4468-0.2580 0.3648 ( 3158 PWs) bands (ev): -37.0290 -37.0290 -16.0065 -16.0065 -15.5029 -15.5029 -15.4993 -15.4993 -1.9686 -1.9686 -1.9634 -1.9634 -1.1366 -1.1366 -1.1176 -1.1176 -1.1043 -1.1043 5.8699 5.8699 6.8914 6.8914 7.2866 7.2866 7.3565 7.3565 7.7173 7.7173 7.8786 7.8786 7.8949 7.8949 7.9915 7.9915 8.2325 8.2325 8.3845 8.3845 8.7851 8.7851 10.1953 10.1953 11.5840 11.5840 11.5889 11.5889 11.9899 11.9899 14.3434 14.3434 14.7248 14.7248 14.7504 14.7504 14.9823 14.9823 k = 0.4574-0.2641 0.3735 ( 3150 PWs) bands (ev): -37.0290 -37.0290 -16.0065 -16.0065 -15.5029 -15.5029 -15.4993 -15.4993 -1.9685 -1.9685 -1.9634 -1.9634 -1.1366 -1.1366 -1.1177 -1.1177 -1.1040 -1.1040 5.8816 5.8816 6.9063 6.9063 7.2879 7.2879 7.3510 7.3510 7.7231 7.7231 7.8874 7.8874 7.9050 7.9050 7.9829 7.9829 8.2500 8.2500 8.3844 8.3844 8.7878 8.7878 10.1260 10.1260 11.5752 11.5752 11.5792 11.5792 11.9853 11.9853 14.3403 14.3403 14.7056 14.7056 14.7311 14.7311 14.9614 14.9614 k = 0.4681-0.2702 0.3822 ( 3158 PWs) bands (ev): -37.0290 -37.0290 -16.0065 -16.0065 -15.5030 -15.5030 -15.4993 -15.4993 -1.9685 -1.9685 -1.9635 -1.9635 -1.1366 -1.1366 -1.1179 -1.1179 -1.1038 -1.1038 5.8902 5.8902 6.9185 6.9185 7.2889 7.2889 7.3461 7.3461 7.7277 7.7277 7.8956 7.8956 7.9128 7.9128 7.9747 7.9747 8.2652 8.2652 8.3844 8.3844 8.7903 8.7903 10.0696 10.0696 11.5682 11.5682 11.5715 11.5715 11.9815 11.9815 14.3378 14.3378 14.6906 14.6906 14.7161 14.7161 14.9451 14.9451 k = 0.4787-0.2764 0.3909 ( 3150 PWs) bands (ev): -37.0289 -37.0289 -16.0065 -16.0065 -15.5030 -15.5030 -15.4993 -15.4993 -1.9684 -1.9684 -1.9635 -1.9635 -1.1365 -1.1365 -1.1180 -1.1180 -1.1036 -1.1036 5.8963 5.8963 6.9275 6.9275 7.2897 7.2897 7.3428 7.3428 7.7312 7.7312 7.9030 7.9030 7.9184 7.9184 7.9676 7.9676 8.2771 8.2771 8.3845 8.3845 8.7924 8.7924 10.0278 10.0278 11.5633 11.5633 11.5661 11.5661 11.9790 11.9790 14.3360 14.3360 14.6798 14.6798 14.7053 14.7053 14.9334 14.9334 k = 0.4894-0.2825 0.3996 ( 3138 PWs) bands (ev): -37.0289 -37.0289 -16.0065 -16.0065 -15.5029 -15.5029 -15.4993 -15.4993 -1.9684 -1.9684 -1.9633 -1.9633 -1.1364 -1.1364 -1.1178 -1.1178 -1.1035 -1.1035 5.8998 5.8998 6.9331 6.9331 7.2902 7.2902 7.3407 7.3407 7.7335 7.7335 7.9085 7.9085 7.9218 7.9218 7.9625 7.9625 8.2847 8.2847 8.3846 8.3846 8.7938 8.7938 10.0022 10.0022 11.5603 11.5603 11.5628 11.5628 11.9775 11.9775 14.3350 14.3350 14.6734 14.6734 14.6989 14.6989 14.9265 14.9265 k = 0.5000-0.2887 0.4082 ( 3138 PWs) bands (ev): -37.0289 -37.0289 -16.0065 -16.0065 -15.5029 -15.5029 -15.4993 -15.4993 -1.9684 -1.9684 -1.9633 -1.9633 -1.1364 -1.1364 -1.1178 -1.1178 -1.1035 -1.1035 5.9010 5.9010 6.9350 6.9350 7.2903 7.2903 7.3401 7.3401 7.7342 7.7342 7.9106 7.9106 7.9230 7.9230 7.9605 7.9605 8.2873 8.2873 8.3846 8.3846 8.7943 8.7943 9.9935 9.9935 11.5593 11.5593 11.5617 11.5617 11.9769 11.9769 14.3346 14.3346 14.6713 14.6713 14.6967 14.6967 14.9242 14.9242 k = 0.5000-0.2887 0.4082 ( 3138 PWs) bands (ev): -37.0289 -37.0289 -16.0065 -16.0065 -15.5029 -15.5029 -15.4993 -15.4993 -1.9684 -1.9684 -1.9633 -1.9633 -1.1364 -1.1364 -1.1178 -1.1178 -1.1035 -1.1035 5.9010 5.9010 6.9350 6.9350 7.2903 7.2903 7.3401 7.3401 7.7342 7.7342 7.9106 7.9106 7.9230 7.9230 7.9605 7.9605 8.2873 8.2873 8.3846 8.3846 8.7943 8.7943 9.9935 9.9935 11.5593 11.5593 11.5617 11.5617 11.9769 11.9769 14.3346 14.3346 14.6713 14.6713 14.6967 14.6967 14.9242 14.9242 k = 0.5000-0.2766 0.4168 ( 3138 PWs) bands (ev): -37.0289 -37.0289 -16.0065 -16.0065 -15.5029 -15.5029 -15.4993 -15.4993 -1.9683 -1.9683 -1.9633 -1.9633 -1.1364 -1.1364 -1.1178 -1.1178 -1.1035 -1.1035 5.9013 5.9013 6.9359 6.9359 7.2905 7.2905 7.3401 7.3401 7.7321 7.7321 7.9105 7.9105 7.9217 7.9217 7.9611 7.9611 8.2911 8.2911 8.3848 8.3848 8.7929 8.7929 9.9938 9.9938 11.5368 11.5368 11.5549 11.5549 12.0026 12.0026 14.3364 14.3364 14.6710 14.6710 14.6964 14.6965 14.9265 14.9265 k = 0.5000-0.2646 0.4253 ( 3154 PWs) bands (ev): -37.0289 -37.0289 -16.0065 -16.0065 -15.5030 -15.5030 -15.4994 -15.4994 -1.9685 -1.9685 -1.9634 -1.9634 -1.1366 -1.1366 -1.1179 -1.1179 -1.1037 -1.1037 5.9021 5.9021 6.9387 6.9387 7.2905 7.2905 7.3401 7.3401 7.7258 7.7258 7.9082 7.9082 7.9203 7.9203 7.9626 7.9626 8.3019 8.3019 8.3852 8.3852 8.7888 8.7888 9.9947 9.9947 11.4783 11.4783 11.5379 11.5379 12.0672 12.0672 14.3418 14.3418 14.6699 14.6699 14.6957 14.6957 14.9333 14.9333 k = 0.5000-0.2526 0.4338 ( 3166 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5030 -15.5030 -15.4994 -15.4994 -1.9686 -1.9686 -1.9635 -1.9635 -1.1366 -1.1366 -1.1180 -1.1180 -1.1038 -1.1038 5.9036 5.9036 6.9434 6.9434 7.2909 7.2909 7.3402 7.3402 7.7157 7.7157 7.9014 7.9014 7.9223 7.9223 7.9645 7.9645 8.3176 8.3176 8.3873 8.3873 8.7820 8.7820 9.9963 9.9963 11.4030 11.4030 11.5104 11.5104 12.1525 12.1525 14.3501 14.3501 14.6679 14.6679 14.6946 14.6946 14.9443 14.9443 k = 0.5000-0.2406 0.4423 ( 3174 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5030 -15.5030 -15.4995 -15.4995 -1.9686 -1.9686 -1.9636 -1.9636 -1.1366 -1.1366 -1.1179 -1.1179 -1.1039 -1.1039 5.9055 5.9055 6.9500 6.9500 7.2917 7.2917 7.3403 7.3403 7.7027 7.7027 7.8922 7.8922 7.9264 7.9264 7.9665 7.9665 8.3344 8.3344 8.3939 8.3939 8.7726 8.7726 9.9987 9.9987 11.3213 11.3213 11.4730 11.4730 12.2481 12.2481 14.3609 14.3609 14.6645 14.6645 14.6938 14.6938 14.9586 14.9586 k = 0.5000-0.2285 0.4508 ( 3174 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5030 -15.5030 -15.4995 -15.4995 -1.9685 -1.9685 -1.9636 -1.9636 -1.1365 -1.1365 -1.1179 -1.1179 -1.1040 -1.1040 5.9080 5.9080 6.9583 6.9583 7.2926 7.2926 7.3405 7.3405 7.6870 7.6870 7.8825 7.8825 7.9316 7.9316 7.9687 7.9687 8.3466 8.3466 8.4088 8.4088 8.7613 8.7613 10.0018 10.0018 11.2379 11.2379 11.4268 11.4268 12.3493 12.3493 14.3733 14.3733 14.6592 14.6592 14.6935 14.6935 14.9754 14.9754 k = 0.5000-0.2165 0.4593 ( 3164 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5029 -15.5029 -15.4995 -15.4995 -1.9682 -1.9682 -1.9635 -1.9635 -1.1362 -1.1362 -1.1177 -1.1177 -1.1041 -1.1041 5.9112 5.9112 6.9681 6.9681 7.2939 7.2939 7.3409 7.3409 7.6697 7.6697 7.8730 7.8730 7.9376 7.9376 7.9710 7.9710 8.3518 8.3518 8.4333 8.4333 8.7483 8.7483 10.0056 10.0056 11.1553 11.1553 11.3728 11.3728 12.4536 12.4536 14.3866 14.3866 14.6519 14.6519 14.6938 14.6938 14.9934 14.9934 k = 0.5000-0.2045 0.4678 ( 3152 PWs) bands (ev): -37.0289 -37.0289 -16.0065 -16.0065 -15.5029 -15.5029 -15.4995 -15.4995 -1.9679 -1.9679 -1.9635 -1.9635 -1.1358 -1.1358 -1.1174 -1.1174 -1.1041 -1.1041 5.9148 5.9148 6.9793 6.9793 7.2955 7.2955 7.3415 7.3415 7.6513 7.6513 7.8640 7.8640 7.9439 7.9439 7.9734 7.9734 8.3526 8.3526 8.4629 8.4629 8.7346 8.7346 10.0102 10.0102 11.0745 11.0745 11.3123 11.3123 12.5595 12.5595 14.4002 14.4002 14.6426 14.6426 14.6947 14.6947 15.0117 15.0117 k = 0.5000-0.1925 0.4763 ( 3148 PWs) bands (ev): -37.0289 -37.0289 -16.0065 -16.0065 -15.5028 -15.5028 -15.4995 -15.4995 -1.9677 -1.9677 -1.9635 -1.9635 -1.1356 -1.1356 -1.1173 -1.1173 -1.1043 -1.1043 5.9187 5.9187 6.9916 6.9916 7.2971 7.2971 7.3423 7.3423 7.6326 7.6326 7.8556 7.8556 7.9504 7.9504 7.9759 7.9759 8.3509 8.3509 8.4927 8.4927 8.7224 8.7224 10.0155 10.0155 10.9965 10.9965 11.2464 11.2464 12.6661 12.6661 14.4138 14.4138 14.6311 14.6311 14.6961 14.6961 15.0290 15.0290 k = 0.5000-0.1804 0.4848 ( 3168 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5028 -15.5028 -15.4997 -15.4997 -1.9678 -1.9678 -1.9636 -1.9636 -1.1355 -1.1355 -1.1173 -1.1173 -1.1047 -1.1047 5.9228 5.9228 7.0046 7.0046 7.2986 7.2986 7.3431 7.3431 7.6143 7.6143 7.8478 7.8478 7.9566 7.9566 7.9782 7.9782 8.3480 8.3480 8.5176 8.5176 8.7154 8.7154 10.0213 10.0213 10.9215 10.9215 11.1763 11.1763 12.7727 12.7727 14.4269 14.4269 14.6176 14.6176 14.6978 14.6978 15.0446 15.0446 k = 0.5000-0.1684 0.4933 ( 3168 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5028 -15.5028 -15.4997 -15.4997 -1.9676 -1.9676 -1.9637 -1.9637 -1.1353 -1.1353 -1.1171 -1.1171 -1.1049 -1.1049 5.9273 5.9273 7.0183 7.0183 7.3003 7.3003 7.3444 7.3444 7.5972 7.5972 7.8409 7.8409 7.9629 7.9629 7.9808 7.9808 8.3443 8.3443 8.5311 8.5311 8.7195 8.7195 10.0281 10.0281 10.8501 10.8501 11.1030 11.1030 12.8787 12.8787 14.4395 14.4395 14.6019 14.6019 14.6998 14.6998 15.0581 15.0581 k = 0.5000-0.1564 0.5018 ( 3168 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5027 -15.5027 -15.4998 -15.4998 -1.9674 -1.9674 -1.9637 -1.9637 -1.1351 -1.1351 -1.1168 -1.1168 -1.1051 -1.1051 5.9320 5.9320 7.0322 7.0322 7.3018 7.3018 7.3459 7.3459 7.5823 7.5823 7.8346 7.8346 7.9690 7.9690 7.9834 7.9834 8.3401 8.3401 8.5288 8.5288 8.7388 8.7388 10.0357 10.0357 10.7823 10.7823 11.0276 11.0276 12.9836 12.9836 14.4514 14.4514 14.5841 14.5841 14.7020 14.7020 15.0691 15.0691 k = 0.5000-0.1443 0.5103 ( 3172 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5027 -15.5027 -15.4999 -15.4999 -1.9673 -1.9673 -1.9638 -1.9638 -1.1349 -1.1349 -1.1166 -1.1166 -1.1054 -1.1054 5.9368 5.9368 7.0460 7.0460 7.3030 7.3030 7.3475 7.3475 7.5702 7.5702 7.8288 7.8288 7.9748 7.9748 7.9860 7.9860 8.3354 8.3354 8.5129 8.5129 8.7708 8.7708 10.0442 10.0442 10.7183 10.7183 10.9511 10.9511 13.0869 13.0869 14.4627 14.4627 14.5641 14.5641 14.7043 14.7043 15.0778 15.0778 k = 0.5000-0.1323 0.5188 ( 3168 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5026 -15.5026 -15.4999 -15.4999 -1.9670 -1.9670 -1.9638 -1.9638 -1.1346 -1.1346 -1.1163 -1.1163 -1.1055 -1.1055 5.9417 5.9417 7.0594 7.0594 7.3038 7.3038 7.3488 7.3488 7.5622 7.5622 7.8236 7.8236 7.9803 7.9803 7.9885 7.9885 8.3305 8.3305 8.4882 8.4882 8.8109 8.8109 10.0535 10.0535 10.6580 10.6580 10.8744 10.8744 13.1884 13.1884 14.4731 14.4731 14.5418 14.5418 14.7067 14.7067 15.0842 15.0842 k = 0.5000-0.1203 0.5273 ( 3160 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5025 -15.5025 -15.5000 -15.5000 -1.9667 -1.9667 -1.9638 -1.9638 -1.1343 -1.1343 -1.1160 -1.1160 -1.1058 -1.1058 5.9465 5.9465 7.0720 7.0720 7.3041 7.3041 7.3492 7.3492 7.5590 7.5590 7.8188 7.8188 7.9855 7.9855 7.9909 7.9909 8.3254 8.3254 8.4583 8.4583 8.8553 8.8553 10.0637 10.0637 10.6014 10.6014 10.7984 10.7984 13.2875 13.2875 14.4822 14.4822 14.5175 14.5175 14.7090 14.7090 15.0886 15.0886 k = 0.5000-0.1083 0.5358 ( 3164 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5025 -15.5025 -15.5000 -15.5000 -1.9665 -1.9665 -1.9639 -1.9639 -1.1342 -1.1342 -1.1157 -1.1157 -1.1061 -1.1061 5.9512 5.9512 7.0835 7.0835 7.3040 7.3040 7.3481 7.3481 7.5613 7.5613 7.8142 7.8142 7.9903 7.9903 7.9930 7.9930 8.3197 8.3197 8.4257 8.4257 8.9019 8.9019 10.0748 10.0748 10.5484 10.5484 10.7240 10.7240 13.3838 13.3838 14.4828 14.4828 14.4983 14.4983 14.7113 14.7113 15.0914 15.0914 k = 0.5000-0.0962 0.5443 ( 3164 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5024 -15.5024 -15.5001 -15.5001 -1.9663 -1.9663 -1.9639 -1.9639 -1.1340 -1.1340 -1.1154 -1.1154 -1.1063 -1.1063 5.9557 5.9557 7.0939 7.0939 7.3036 7.3036 7.3455 7.3455 7.5694 7.5694 7.8098 7.8098 7.9944 7.9944 7.9949 7.9949 8.3133 8.3133 8.3924 8.3924 8.9491 8.9491 10.0869 10.0869 10.4988 10.4988 10.6522 10.6522 13.4773 13.4773 14.4563 14.4563 14.5027 14.5027 14.7135 14.7135 15.0928 15.0928 k = 0.5000-0.0842 0.5528 ( 3162 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5024 -15.5024 -15.5002 -15.5002 -1.9661 -1.9661 -1.9640 -1.9640 -1.1338 -1.1338 -1.1151 -1.1151 -1.1066 -1.1066 5.9600 5.9600 7.1030 7.1030 7.3029 7.3029 7.3415 7.3415 7.5828 7.5828 7.8054 7.8054 7.9959 7.9959 7.9986 7.9986 8.3049 8.3049 8.3607 8.3607 8.9959 8.9959 10.1000 10.1000 10.4524 10.4524 10.5842 10.5842 13.5674 13.5674 14.4233 14.4233 14.5098 14.5098 14.7155 14.7155 15.0932 15.0932 k = 0.5000-0.0722 0.5613 ( 3158 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5023 -15.5023 -15.5002 -15.5002 -1.9659 -1.9659 -1.9640 -1.9640 -1.1336 -1.1336 -1.1147 -1.1147 -1.1069 -1.1069 5.9638 5.9638 7.1108 7.1108 7.3023 7.3023 7.3366 7.3366 7.6007 7.6007 7.8007 7.8007 7.9964 7.9964 8.0021 8.0021 8.2912 8.2912 8.3356 8.3356 9.0411 9.0411 10.1142 10.1142 10.4090 10.4090 10.5212 10.5212 13.6540 13.6540 14.3868 14.3868 14.5164 14.5164 14.7173 14.7173 15.0929 15.0929 k = 0.5000-0.0601 0.5698 ( 3156 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5022 -15.5022 -15.5003 -15.5003 -1.9656 -1.9656 -1.9641 -1.9641 -1.1335 -1.1335 -1.1144 -1.1144 -1.1071 -1.1071 5.9672 5.9672 7.1172 7.1172 7.3015 7.3015 7.3315 7.3315 7.6220 7.6220 7.7955 7.7955 7.9962 7.9962 8.0051 8.0051 8.2693 8.2693 8.3210 8.3210 9.0834 9.0834 10.1296 10.1296 10.3684 10.3684 10.4643 10.4643 13.7369 13.7369 14.3469 14.3469 14.5222 14.5222 14.7189 14.7189 15.0922 15.0922 k = 0.5000-0.0481 0.5784 ( 3154 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5022 -15.5022 -15.5003 -15.5003 -1.9654 -1.9654 -1.9642 -1.9642 -1.1333 -1.1333 -1.1142 -1.1142 -1.1073 -1.1073 5.9701 5.9701 7.1224 7.1224 7.3007 7.3007 7.3265 7.3265 7.6456 7.6456 7.7893 7.7893 7.9951 7.9951 8.0076 8.0076 8.2441 8.2441 8.3135 8.3135 9.1214 9.1214 10.1460 10.1460 10.3307 10.3307 10.4149 10.4149 13.8159 13.8159 14.3036 14.3036 14.5271 14.5271 14.7203 14.7203 15.0912 15.0912 k = 0.5000-0.0361 0.5869 ( 3154 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5022 -15.5022 -15.5004 -15.5004 -1.9652 -1.9652 -1.9643 -1.9643 -1.1332 -1.1332 -1.1140 -1.1140 -1.1075 -1.1075 5.9724 5.9724 7.1263 7.1263 7.3001 7.3001 7.3223 7.3223 7.6699 7.6699 7.7816 7.7816 7.9932 7.9932 8.0095 8.0095 8.2212 8.2212 8.3091 8.3091 9.1536 9.1536 10.1635 10.1635 10.2968 10.2968 10.3738 10.3738 13.8909 13.8909 14.2566 14.2566 14.5309 14.5309 14.7214 14.7214 15.0903 15.0903 k = 0.5000-0.0241 0.5954 ( 3154 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5021 -15.5021 -15.5004 -15.5004 -1.9651 -1.9651 -1.9643 -1.9643 -1.1332 -1.1332 -1.1138 -1.1138 -1.1077 -1.1077 5.9740 5.9740 7.1292 7.1292 7.2996 7.2996 7.3190 7.3190 7.6934 7.6934 7.7720 7.7720 7.9910 7.9910 8.0109 8.0109 8.2033 8.2033 8.3064 8.3064 9.1781 9.1781 10.1819 10.1819 10.2675 10.2675 10.3420 10.3420 13.9617 13.9617 14.2060 14.2060 14.5337 14.5337 14.7222 14.7222 15.0895 15.0895 k = 0.5000-0.0120 0.6039 ( 3156 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5021 -15.5021 -15.5005 -15.5005 -1.9650 -1.9650 -1.9644 -1.9644 -1.1332 -1.1332 -1.1137 -1.1137 -1.1078 -1.1078 5.9751 5.9751 7.1308 7.1308 7.2992 7.2992 7.3170 7.3170 7.7139 7.7139 7.7608 7.7608 7.9892 7.9892 8.0118 8.0118 8.1921 8.1921 8.3048 8.3048 9.1937 9.1937 10.2009 10.2009 10.2431 10.2431 10.3210 10.3210 14.0280 14.0280 14.1518 14.1518 14.5354 14.5354 14.7227 14.7227 15.0890 15.0890 k = 0.5000 0.0000 0.6124 ( 3156 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5021 -15.5021 -15.5005 -15.5005 -1.9650 -1.9650 -1.9645 -1.9645 -1.1331 -1.1331 -1.1136 -1.1136 -1.1078 -1.1078 5.9754 5.9754 7.1314 7.1314 7.2991 7.2991 7.3163 7.3163 7.7246 7.7246 7.7535 7.7535 7.9884 7.9884 8.0121 8.0121 8.1882 8.1882 8.3043 8.3043 9.1990 9.1990 10.2166 10.2166 10.2260 10.2260 10.3135 10.3135 14.0801 14.0801 14.1037 14.1037 14.5360 14.5360 14.7228 14.7228 15.0888 15.0888 k = 0.5000 0.0000 0.6124 ( 3156 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5021 -15.5021 -15.5005 -15.5005 -1.9650 -1.9650 -1.9645 -1.9645 -1.1331 -1.1331 -1.1136 -1.1136 -1.1078 -1.1078 5.9754 5.9754 7.1314 7.1314 7.2991 7.2991 7.3163 7.3163 7.7246 7.7246 7.7535 7.7535 7.9884 7.9884 8.0121 8.0121 8.1882 8.1882 8.3043 8.3043 9.1990 9.1990 10.2166 10.2166 10.2260 10.2260 10.3135 10.3135 14.0801 14.0801 14.1037 14.1037 14.5360 14.5360 14.7228 14.7228 15.0888 15.0888 k = 0.4926 0.0127 0.6124 ( 3156 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5021 -15.5021 -15.5005 -15.5005 -1.9650 -1.9650 -1.9644 -1.9644 -1.1331 -1.1331 -1.1137 -1.1137 -1.1078 -1.1078 5.9750 5.9750 7.1314 7.1314 7.2993 7.2993 7.3168 7.3168 7.7183 7.7183 7.7580 7.7580 7.9887 7.9887 8.0118 8.0118 8.1900 8.1900 8.3044 8.3044 9.1949 9.1949 10.1800 10.1800 10.2188 10.2188 10.3655 10.3655 14.0455 14.0455 14.1356 14.1356 14.5372 14.5372 14.7230 14.7230 15.0892 15.0892 k = 0.4853 0.0255 0.6124 ( 3154 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5021 -15.5021 -15.5004 -15.5004 -1.9650 -1.9650 -1.9644 -1.9644 -1.1331 -1.1331 -1.1137 -1.1137 -1.1078 -1.1078 5.9739 5.9739 7.1316 7.1316 7.2999 7.2999 7.3181 7.3181 7.7050 7.7050 7.7660 7.7660 7.9895 7.9895 8.0108 8.0108 8.1951 8.1951 8.3046 8.3046 9.1842 9.1842 10.1233 10.1233 10.2020 10.2020 10.4617 10.4617 13.9974 13.9974 14.1755 14.1755 14.5412 14.5412 14.7236 14.7236 15.0904 15.0904 k = 0.4779 0.0382 0.6124 ( 3156 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5021 -15.5021 -15.5004 -15.5004 -1.9651 -1.9651 -1.9644 -1.9644 -1.1332 -1.1332 -1.1138 -1.1138 -1.1077 -1.1077 5.9721 5.9721 7.1321 7.1321 7.3008 7.3008 7.3202 7.3202 7.6891 7.6891 7.7735 7.7735 7.9906 7.9906 8.0092 8.0092 8.2033 8.2033 8.3049 8.3049 9.1689 9.1689 10.0635 10.0635 10.1873 10.1873 10.5710 10.5710 13.9447 13.9447 14.2144 14.2144 14.5482 14.5482 14.7243 14.7243 15.0918 15.0918 k = 0.4706 0.0509 0.6124 ( 3152 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5021 -15.5021 -15.5004 -15.5004 -1.9652 -1.9652 -1.9643 -1.9643 -1.1332 -1.1332 -1.1139 -1.1139 -1.1075 -1.1075 5.9698 5.9698 7.1331 7.1331 7.3017 7.3017 7.3234 7.3234 7.6721 7.6721 7.7797 7.7797 7.9917 7.9917 8.0069 8.0069 8.2143 8.2143 8.3055 8.3055 9.1509 9.1509 10.0047 10.0047 10.1743 10.1743 10.6879 10.6879 13.8877 13.8877 14.2518 14.2518 14.5582 14.5582 14.7251 14.7251 15.0932 15.0932 k = 0.4632 0.0637 0.6124 ( 3153 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5022 -15.5022 -15.5003 -15.5003 -1.9653 -1.9653 -1.9642 -1.9642 -1.1332 -1.1332 -1.1141 -1.1141 -1.1073 -1.1073 5.9671 5.9671 7.1345 7.1345 7.3024 7.3024 7.3277 7.3277 7.6545 7.6545 7.7844 7.7844 7.9926 7.9926 8.0040 8.0040 8.2274 8.2274 8.3065 8.3065 9.1314 9.1314 9.9478 9.9478 10.1627 10.1627 10.8100 10.8100 13.8268 13.8268 14.2878 14.2878 14.5713 14.5713 14.7256 14.7256 15.0940 15.0940 k = 0.4559 0.0764 0.6124 ( 3150 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5022 -15.5022 -15.5003 -15.5003 -1.9653 -1.9653 -1.9641 -1.9641 -1.1332 -1.1332 -1.1142 -1.1142 -1.1072 -1.1072 5.9641 5.9641 7.1365 7.1365 7.3025 7.3025 7.3333 7.3333 7.6370 7.6370 7.7879 7.7879 7.9927 7.9927 8.0009 8.0009 8.2415 8.2415 8.3086 8.3086 9.1115 9.1115 9.8935 9.8935 10.1523 10.1523 10.9355 10.9355 13.7621 13.7621 14.3221 14.3221 14.5874 14.5874 14.7258 14.7258 15.0939 15.0939 k = 0.4485 0.0891 0.6124 ( 3152 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5022 -15.5022 -15.5003 -15.5003 -1.9655 -1.9655 -1.9640 -1.9640 -1.1332 -1.1332 -1.1144 -1.1144 -1.1071 -1.1071 5.9609 5.9609 7.1391 7.1391 7.3019 7.3019 7.3400 7.3400 7.6199 7.6199 7.7902 7.7902 7.9910 7.9910 7.9986 7.9986 8.2551 8.2551 8.3127 8.3127 9.0918 9.0918 9.8420 9.8420 10.1429 10.1429 11.0631 11.0631 13.6937 13.6937 14.3546 14.3546 14.6064 14.6064 14.7255 14.7255 15.0925 15.0925 k = 0.4412 0.1019 0.6124 ( 3156 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5023 -15.5023 -15.5002 -15.5002 -1.9655 -1.9655 -1.9641 -1.9641 -1.1333 -1.1333 -1.1147 -1.1147 -1.1069 -1.1069 5.9576 5.9576 7.1422 7.1422 7.3007 7.3007 7.3474 7.3474 7.6038 7.6038 7.7916 7.7916 7.9870 7.9870 7.9977 7.9977 8.2662 8.2662 8.3202 8.3202 9.0729 9.0729 9.7938 9.7938 10.1347 10.1347 11.1913 11.1913 13.6220 13.6220 14.3854 14.3854 14.6281 14.6281 14.7247 14.7247 15.0896 15.0896 k = 0.4338 0.1146 0.6124 ( 3157 PWs) bands (ev): -37.0290 -37.0290 -16.0066 -16.0066 -15.5023 -15.5023 -15.5002 -15.5002 -1.9656 -1.9656 -1.9640 -1.9640 -1.1333 -1.1333 -1.1149 -1.1149 -1.1067 -1.1067 5.9544 5.9544 7.1458 7.1458 7.2988 7.2988 7.3554 7.3554 7.5890 7.5890 7.7922 7.7922 7.9817 7.9817 7.9974 7.9974 8.2733 8.2733 8.3318 8.3318 9.0554 9.0554 9.7491 9.7491 10.1274 10.1274 11.3189 11.3189 13.5475 13.5475 14.4142 14.4142 14.6523 14.6523 14.7234 14.7234 15.0846 15.0846 k = 0.4265 0.1274 0.6124 ( 3159 PWs) bands (ev): -37.0290 -37.0290 -16.0066 -16.0066 -15.5023 -15.5023 -15.5001 -15.5001 -1.9657 -1.9657 -1.9640 -1.9640 -1.1333 -1.1333 -1.1151 -1.1151 -1.1066 -1.1066 5.9513 5.9513 7.1498 7.1498 7.2963 7.2963 7.3634 7.3634 7.5758 7.5758 7.7922 7.7922 7.9759 7.9759 7.9973 7.9973 8.2771 8.2771 8.3465 8.3465 9.0394 9.0394 9.7083 9.7083 10.1212 10.1212 11.4444 11.4444 13.4709 13.4709 14.4409 14.4409 14.6786 14.6786 14.7216 14.7216 15.0773 15.0773 k = 0.4191 0.1401 0.6124 ( 3159 PWs) bands (ev): -37.0290 -37.0290 -16.0066 -16.0066 -15.5024 -15.5024 -15.5001 -15.5001 -1.9658 -1.9658 -1.9639 -1.9639 -1.1333 -1.1333 -1.1153 -1.1153 -1.1064 -1.1064 5.9484 5.9484 7.1542 7.1542 7.2933 7.2933 7.3712 7.3712 7.5646 7.5646 7.7915 7.7915 7.9701 7.9701 7.9971 7.9971 8.2787 8.2787 8.3624 8.3624 9.0252 9.0252 9.6717 9.6717 10.1158 10.1158 11.5661 11.5661 13.3931 13.3931 14.4653 14.4653 14.7050 14.7050 14.7209 14.7209 15.0675 15.0675 k = 0.4118 0.1528 0.6124 ( 3165 PWs) bands (ev): -37.0290 -37.0290 -16.0066 -16.0066 -15.5024 -15.5024 -15.5001 -15.5001 -1.9659 -1.9659 -1.9640 -1.9640 -1.1334 -1.1334 -1.1155 -1.1155 -1.1064 -1.1064 5.9458 5.9458 7.1586 7.1586 7.2899 7.2899 7.3783 7.3783 7.5553 7.5553 7.7905 7.7905 7.9645 7.9645 7.9969 7.9969 8.2793 8.2793 8.3778 8.3778 9.0130 9.0130 9.6398 9.6398 10.1113 10.1113 11.6816 11.6816 13.3158 13.3158 14.4872 14.4872 14.7130 14.7130 14.7394 14.7394 15.0550 15.0550 k = 0.4044 0.1656 0.6124 ( 3165 PWs) bands (ev): -37.0290 -37.0290 -16.0066 -16.0066 -15.5024 -15.5024 -15.5001 -15.5001 -1.9659 -1.9659 -1.9639 -1.9639 -1.1334 -1.1334 -1.1156 -1.1156 -1.1062 -1.1062 5.9436 5.9436 7.1630 7.1630 7.2864 7.2864 7.3844 7.3844 7.5482 7.5482 7.7892 7.7892 7.9594 7.9594 7.9967 7.9967 8.2794 8.2794 8.3917 8.3917 9.0029 9.0029 9.6129 9.6129 10.1076 10.1076 11.7881 11.7881 13.2415 13.2415 14.5062 14.5062 14.7102 14.7102 14.7688 14.7688 15.0400 15.0400 k = 0.3971 0.1783 0.6124 ( 3169 PWs) bands (ev): -37.0290 -37.0290 -16.0066 -16.0066 -15.5024 -15.5024 -15.5000 -15.5000 -1.9660 -1.9660 -1.9640 -1.9640 -1.1334 -1.1334 -1.1158 -1.1158 -1.1062 -1.1062 5.9418 5.9418 7.1669 7.1669 7.2831 7.2831 7.3892 7.3892 7.5431 7.5431 7.7879 7.7879 7.9552 7.9552 7.9966 7.9966 8.2792 8.2792 8.4034 8.4034 8.9950 8.9950 9.5915 9.5915 10.1048 10.1048 11.8813 11.8813 13.1738 13.1738 14.5220 14.5220 14.7069 14.7069 14.7982 14.7982 15.0229 15.0229 k = 0.3897 0.1910 0.6124 ( 3175 PWs) bands (ev): -37.0290 -37.0290 -16.0066 -16.0066 -15.5025 -15.5025 -15.5001 -15.5001 -1.9661 -1.9661 -1.9640 -1.9640 -1.1335 -1.1335 -1.1159 -1.1159 -1.1062 -1.1062 5.9404 5.9404 7.1701 7.1701 7.2802 7.2802 7.3927 7.3927 7.5397 7.5397 7.7868 7.7868 7.9520 7.9520 7.9964 7.9964 8.2790 8.2790 8.4122 8.4122 8.9893 8.9893 9.5759 9.5759 10.1028 10.1028 11.9557 11.9557 13.1179 13.1179 14.5338 14.5338 14.7038 14.7038 14.8250 14.8250 15.0054 15.0054 k = 0.3824 0.2038 0.6124 ( 3172 PWs) bands (ev): -37.0290 -37.0290 -16.0066 -16.0066 -15.5025 -15.5025 -15.5000 -15.5000 -1.9661 -1.9661 -1.9640 -1.9640 -1.1335 -1.1335 -1.1159 -1.1159 -1.1061 -1.1061 5.9397 5.9397 7.1722 7.1722 7.2783 7.2783 7.3948 7.3948 7.5378 7.5378 7.7861 7.7861 7.9500 7.9500 7.9963 7.9963 8.2789 8.2789 8.4177 8.4177 8.9859 8.9859 9.5664 9.5664 10.1016 10.1016 12.0046 12.0046 13.0802 13.0802 14.5413 14.5413 14.7016 14.7016 14.8454 14.8454 14.9908 14.9908 k = 0.3750 0.2165 0.6124 ( 3180 PWs) bands (ev): -37.0290 -37.0290 -16.0066 -16.0066 -15.5025 -15.5025 -15.5001 -15.5001 -1.9662 -1.9662 -1.9640 -1.9640 -1.1336 -1.1336 -1.1160 -1.1160 -1.1062 -1.1062 5.9394 5.9394 7.1729 7.1729 7.2776 7.2776 7.3954 7.3954 7.5372 7.5372 7.7857 7.7857 7.9492 7.9492 7.9962 7.9962 8.2788 8.2788 8.4195 8.4195 8.9847 8.9847 9.5632 9.5632 10.1012 10.1012 12.0217 12.0217 13.0668 13.0668 14.5438 14.5438 14.7008 14.7008 14.8535 14.8535 14.9846 14.9846 k = 0.3750 0.2165 0.6124 ( 3180 PWs) bands (ev): -37.0290 -37.0290 -16.0066 -16.0066 -15.5025 -15.5025 -15.5001 -15.5001 -1.9662 -1.9662 -1.9640 -1.9640 -1.1336 -1.1336 -1.1160 -1.1160 -1.1062 -1.1062 5.9394 5.9394 7.1729 7.1729 7.2776 7.2776 7.3954 7.3954 7.5372 7.5372 7.7857 7.7857 7.9492 7.9492 7.9962 7.9962 8.2788 8.2788 8.4195 8.4195 8.9847 8.9847 9.5632 9.5632 10.1012 10.1012 12.0217 12.0217 13.0668 13.0668 14.5438 14.5438 14.7008 14.7008 14.8535 14.8535 14.9846 14.9846 k = 0.3675 0.2122 0.6001 ( 3180 PWs) bands (ev): -37.0290 -37.0290 -16.0066 -16.0066 -15.5024 -15.5024 -15.5001 -15.5001 -1.9660 -1.9660 -1.9641 -1.9641 -1.1333 -1.1333 -1.1158 -1.1158 -1.1063 -1.1063 5.9378 5.9378 7.1921 7.1921 7.2805 7.2805 7.4003 7.4003 7.5367 7.5367 7.7762 7.7762 7.9539 7.9539 7.9956 7.9956 8.2678 8.2678 8.3931 8.3931 8.9951 8.9951 9.4863 9.4863 10.1158 10.1158 12.0686 12.0686 13.1317 13.1317 14.5255 14.5255 14.7096 14.7096 14.9151 14.9151 14.9716 14.9716 k = 0.3600 0.2078 0.5879 ( 3164 PWs) bands (ev): -37.0290 -37.0290 -16.0066 -16.0066 -15.5024 -15.5024 -15.5001 -15.5001 -1.9656 -1.9656 -1.9640 -1.9640 -1.1329 -1.1329 -1.1155 -1.1155 -1.1064 -1.1064 5.9348 5.9348 7.2082 7.2082 7.2862 7.2862 7.4039 7.4039 7.5398 7.5398 7.7669 7.7669 7.9590 7.9590 7.9942 7.9942 8.2559 8.2559 8.3680 8.3680 8.9733 8.9733 9.4472 9.4472 10.1317 10.1317 12.1166 12.1166 13.1984 13.1984 14.5059 14.5059 14.7202 14.7202 14.9568 14.9568 14.9803 14.9803 k = 0.3525 0.2035 0.5756 ( 3162 PWs) bands (ev): -37.0290 -37.0290 -16.0065 -16.0065 -15.5023 -15.5023 -15.5001 -15.5001 -1.9654 -1.9654 -1.9640 -1.9640 -1.1327 -1.1327 -1.1154 -1.1154 -1.1065 -1.1065 5.9301 5.9301 7.2199 7.2199 7.2947 7.2947 7.4061 7.4061 7.5470 7.5470 7.7578 7.7578 7.9641 7.9641 7.9916 7.9916 8.2426 8.2426 8.3448 8.3448 8.9180 8.9180 9.4480 9.4480 10.1487 10.1487 12.1656 12.1656 13.2670 13.2670 14.4847 14.4847 14.7328 14.7328 14.9418 14.9418 15.0477 15.0477 k = 0.3450 0.1992 0.5634 ( 3150 PWs) bands (ev): -37.0290 -37.0290 -16.0065 -16.0065 -15.5023 -15.5023 -15.5000 -15.5000 -1.9651 -1.9651 -1.9640 -1.9640 -1.1324 -1.1324 -1.1151 -1.1151 -1.1066 -1.1066 5.9234 5.9234 7.2275 7.2275 7.3053 7.3053 7.4070 7.4070 7.5583 7.5583 7.7491 7.7491 7.9694 7.9694 7.9880 7.9880 8.2277 8.2277 8.3247 8.3247 8.8404 8.8404 9.4778 9.4778 10.1670 10.1670 12.2154 12.2154 13.3377 13.3377 14.4622 14.4622 14.7475 14.7475 14.9258 14.9258 15.1181 15.1181 k = 0.3375 0.1949 0.5511 ( 3150 PWs) bands (ev): -37.0290 -37.0290 -16.0065 -16.0065 -15.5022 -15.5022 -15.5000 -15.5000 -1.9649 -1.9649 -1.9640 -1.9640 -1.1322 -1.1322 -1.1150 -1.1150 -1.1067 -1.1067 5.9144 5.9144 7.2317 7.2317 7.3163 7.3163 7.4065 7.4065 7.5735 7.5735 7.7408 7.7408 7.9740 7.9740 7.9838 7.9838 8.2108 8.2108 8.3082 8.3082 8.7532 8.7532 9.5245 9.5245 10.1867 10.1867 12.2660 12.2660 13.4107 13.4107 14.4383 14.4383 14.7642 14.7642 14.9093 14.9093 15.1911 15.1911 k = 0.3300 0.1905 0.5389 ( 3150 PWs) bands (ev): -37.0290 -37.0290 -16.0065 -16.0065 -15.5022 -15.5022 -15.5000 -15.5000 -1.9648 -1.9648 -1.9641 -1.9641 -1.1321 -1.1321 -1.1150 -1.1150 -1.1068 -1.1068 5.9031 5.9031 7.2333 7.2333 7.3261 7.3261 7.4052 7.4052 7.5923 7.5923 7.7330 7.7330 7.9728 7.9728 7.9841 7.9841 8.1924 8.1924 8.2957 8.2957 8.6645 8.6645 9.5811 9.5811 10.2077 10.2077 12.3172 12.3172 13.4862 13.4862 14.4129 14.4129 14.7831 14.7831 14.8926 14.8926 15.2666 15.2666 k = 0.3225 0.1862 0.5266 ( 3154 PWs) bands (ev): -37.0290 -37.0290 -16.0064 -16.0064 -15.5022 -15.5022 -15.5000 -15.5000 -1.9647 -1.9647 -1.9642 -1.9642 -1.1320 -1.1320 -1.1149 -1.1149 -1.1069 -1.1069 5.8891 5.8891 7.2329 7.2329 7.3339 7.3339 7.4032 7.4032 7.6138 7.6138 7.7255 7.7255 7.9651 7.9651 7.9895 7.9895 8.1731 8.1731 8.2866 8.2866 8.5787 8.5787 9.6438 9.6438 10.2303 10.2303 12.3691 12.3691 13.5643 13.5643 14.3859 14.3859 14.8034 14.8034 14.8764 14.8764 15.3443 15.3443 k = 0.3150 0.1819 0.5144 ( 3156 PWs) bands (ev): -37.0290 -37.0290 -16.0064 -16.0064 -15.5022 -15.5022 -15.4999 -15.4999 -1.9647 -1.9647 -1.9642 -1.9642 -1.1319 -1.1319 -1.1149 -1.1149 -1.1071 -1.1071 5.8722 5.8722 7.2304 7.2304 7.3391 7.3391 7.4010 7.4010 7.6368 7.6368 7.7184 7.7184 7.9549 7.9549 7.9961 7.9961 8.1542 8.1542 8.2805 8.2805 8.4990 8.4990 9.7106 9.7106 10.2545 10.2545 12.4216 12.4216 13.6450 13.6450 14.3575 14.3575 14.8223 14.8223 14.8641 14.8641 15.4242 15.4242 k = 0.3075 0.1775 0.5021 ( 3156 PWs) bands (ev): -37.0290 -37.0290 -16.0064 -16.0064 -15.5022 -15.5022 -15.4999 -15.4999 -1.9647 -1.9647 -1.9641 -1.9641 -1.1318 -1.1318 -1.1149 -1.1149 -1.1072 -1.1072 5.8523 5.8523 7.2257 7.2257 7.3417 7.3417 7.3987 7.3987 7.6592 7.6592 7.7125 7.7125 7.9428 7.9428 8.0033 8.0033 8.1371 8.1371 8.2766 8.2766 8.4274 8.4274 9.7806 9.7806 10.2805 10.2805 12.4747 12.4747 13.7284 13.7284 14.3276 14.3276 14.8255 14.8255 14.8699 14.8699 15.5061 15.5061 k = 0.3000 0.1732 0.4899 ( 3142 PWs) bands (ev): -37.0290 -37.0290 -16.0063 -16.0063 -15.5021 -15.5021 -15.4998 -15.4998 -1.9647 -1.9647 -1.9639 -1.9639 -1.1317 -1.1317 -1.1149 -1.1149 -1.1071 -1.1071 5.8292 5.8292 7.2187 7.2187 7.3418 7.3418 7.3967 7.3967 7.6754 7.6754 7.7115 7.7115 7.9296 7.9296 8.0110 8.0110 8.1230 8.1230 8.2739 8.2739 8.3660 8.3660 9.8533 9.8533 10.3083 10.3083 12.5283 12.5283 13.8146 13.8146 14.2962 14.2962 14.8124 14.8124 14.8948 14.8948 15.5898 15.5898 k = 0.2925 0.1689 0.4777 ( 3142 PWs) bands (ev): -37.0290 -37.0290 -16.0063 -16.0063 -15.5021 -15.5021 -15.4997 -15.4997 -1.9648 -1.9648 -1.9638 -1.9638 -1.1317 -1.1317 -1.1149 -1.1149 -1.1072 -1.1072 5.8026 5.8026 7.2092 7.2092 7.3391 7.3391 7.3947 7.3947 7.6766 7.6766 7.7211 7.7211 7.9166 7.9166 8.0192 8.0192 8.1128 8.1128 8.2686 8.2686 8.3184 8.3184 9.9280 9.9280 10.3381 10.3381 12.5825 12.5825 13.9033 13.9033 14.2633 14.2633 14.7958 14.7958 14.9259 14.9259 15.6750 15.6750 k = 0.2850 0.1645 0.4654 ( 3148 PWs) bands (ev): -37.0290 -37.0290 -16.0063 -16.0063 -15.5021 -15.5021 -15.4996 -15.4996 -1.9650 -1.9650 -1.9638 -1.9638 -1.1318 -1.1318 -1.1150 -1.1150 -1.1073 -1.1073 5.7725 5.7725 7.1974 7.1974 7.3340 7.3340 7.3929 7.3929 7.6679 7.6679 7.7335 7.7335 7.9065 7.9065 8.0276 8.0276 8.1072 8.1072 8.2497 8.2497 8.2961 8.2961 10.0048 10.0048 10.3700 10.3700 12.6370 12.6370 13.9946 13.9946 14.2289 14.2289 14.7786 14.7786 14.9608 14.9608 15.7615 15.7615 k = 0.2775 0.1602 0.4532 ( 3138 PWs) bands (ev): -37.0290 -37.0290 -16.0062 -16.0062 -15.5020 -15.5020 -15.4995 -15.4995 -1.9651 -1.9651 -1.9636 -1.9636 -1.1317 -1.1317 -1.1150 -1.1150 -1.1074 -1.1074 5.7387 5.7387 7.1834 7.1834 7.3267 7.3267 7.3913 7.3913 7.6552 7.6552 7.7398 7.7398 7.9029 7.9029 8.0358 8.0358 8.1070 8.1070 8.2220 8.2220 8.2940 8.2940 10.0835 10.0835 10.4042 10.4042 12.6921 12.6921 14.0883 14.0883 14.1931 14.1931 14.7615 14.7615 14.9988 14.9988 15.8491 15.8491 k = 0.2700 0.1559 0.4409 ( 3138 PWs) bands (ev): -37.0290 -37.0290 -16.0061 -16.0061 -15.5019 -15.5019 -15.4995 -15.4995 -1.9653 -1.9653 -1.9636 -1.9636 -1.1318 -1.1318 -1.1151 -1.1151 -1.1075 -1.1075 5.7012 5.7012 7.1676 7.1676 7.3174 7.3174 7.3894 7.3894 7.6399 7.6399 7.7369 7.7369 7.9076 7.9076 8.0425 8.0425 8.1123 8.1123 8.1993 8.1993 8.2977 8.2977 10.1639 10.1639 10.4408 10.4408 12.7476 12.7476 14.1557 14.1557 14.1841 14.1841 14.7449 14.7449 15.0396 15.0396 15.9375 15.9375 k = 0.2625 0.1516 0.4287 ( 3138 PWs) bands (ev): -37.0290 -37.0290 -16.0061 -16.0061 -15.5019 -15.5019 -15.4994 -15.4994 -1.9654 -1.9654 -1.9637 -1.9637 -1.1319 -1.1319 -1.1152 -1.1152 -1.1077 -1.1077 5.6602 5.6602 7.1505 7.1505 7.3066 7.3066 7.3870 7.3870 7.6230 7.6230 7.7265 7.7265 7.9189 7.9189 8.0470 8.0470 8.1222 8.1222 8.1852 8.1852 8.3039 8.3039 10.2460 10.2460 10.4800 10.4800 12.8035 12.8035 14.1171 14.1171 14.2809 14.2809 14.7294 14.7294 15.0834 15.0834 16.0263 16.0263 k = 0.2550 0.1472 0.4164 ( 3138 PWs) bands (ev): -37.0290 -37.0290 -16.0060 -16.0060 -15.5018 -15.5018 -15.4993 -15.4993 -1.9655 -1.9655 -1.9637 -1.9637 -1.1320 -1.1320 -1.1153 -1.1153 -1.1079 -1.1079 5.6156 5.6156 7.1324 7.1324 7.2946 7.2946 7.3837 7.3837 7.6052 7.6052 7.7116 7.7116 7.9341 7.9341 8.0490 8.0490 8.1346 8.1346 8.1815 8.1815 8.3119 8.3119 10.3297 10.3297 10.5220 10.5220 12.8599 12.8599 14.0772 14.0772 14.3776 14.3776 14.7162 14.7162 15.1299 15.1299 16.0182 16.0182 k = 0.2475 0.1429 0.4042 ( 3134 PWs) bands (ev): -37.0291 -37.0291 -16.0060 -16.0060 -15.5017 -15.5017 -15.4992 -15.4992 -1.9657 -1.9657 -1.9637 -1.9637 -1.1321 -1.1321 -1.1155 -1.1155 -1.1081 -1.1081 5.5679 5.5679 7.1139 7.1139 7.2817 7.2817 7.3795 7.3795 7.5869 7.5869 7.6943 7.6943 7.9508 7.9508 8.0492 8.0492 8.1462 8.1462 8.1891 8.1891 8.3217 8.3217 10.4150 10.4150 10.5672 10.5672 12.9168 12.9168 14.0359 14.0359 14.4705 14.4705 14.7088 14.7088 15.1790 15.1790 15.9706 15.9706 k = 0.2400 0.1386 0.3919 ( 3138 PWs) bands (ev): -37.0291 -37.0291 -16.0059 -16.0059 -15.5017 -15.5017 -15.4991 -15.4991 -1.9659 -1.9659 -1.9638 -1.9638 -1.1322 -1.1322 -1.1157 -1.1157 -1.1083 -1.1083 5.5171 5.5171 7.0955 7.0955 7.2682 7.2682 7.3741 7.3741 7.5686 7.5686 7.6760 7.6760 7.9676 7.9676 8.0487 8.0487 8.1565 8.1565 8.2057 8.2057 8.3332 8.3332 10.5015 10.5015 10.6158 10.6158 12.9741 12.9741 13.9934 13.9934 14.5482 14.5482 14.7176 14.7176 15.2308 15.2308 15.9247 15.9247 k = 0.2325 0.1342 0.3797 ( 3130 PWs) bands (ev): -37.0291 -37.0291 -16.0058 -16.0058 -15.5015 -15.5015 -15.4990 -15.4990 -1.9661 -1.9661 -1.9638 -1.9638 -1.1323 -1.1323 -1.1158 -1.1158 -1.1085 -1.1085 5.4638 5.4638 7.0780 7.0780 7.2543 7.2543 7.3680 7.3680 7.5504 7.5504 7.6573 7.6573 7.9837 7.9837 8.0488 8.0488 8.1678 8.1678 8.2268 8.2268 8.3470 8.3470 10.5884 10.5884 10.6688 10.6688 13.0318 13.0318 13.9499 13.9499 14.5884 14.5884 14.7643 14.7643 15.2850 15.2850 15.8819 15.8819 k = 0.2250 0.1299 0.3674 ( 3130 PWs) bands (ev): -37.0291 -37.0291 -16.0057 -16.0057 -15.5014 -15.5014 -15.4990 -15.4990 -1.9662 -1.9662 -1.9639 -1.9639 -1.1325 -1.1325 -1.1160 -1.1160 -1.1088 -1.1088 5.4081 5.4081 7.0616 7.0616 7.2403 7.2403 7.3609 7.3609 7.5322 7.5322 7.6383 7.6383 7.9985 7.9985 8.0503 8.0503 8.1813 8.1813 8.2485 8.2485 8.3630 8.3630 10.6733 10.6733 10.7287 10.7287 13.0898 13.0898 13.9052 13.9052 14.5936 14.5936 14.8449 14.8449 15.3416 15.3416 15.8438 15.8438 k = 0.2175 0.1256 0.3552 ( 3130 PWs) bands (ev): -37.0291 -37.0291 -16.0057 -16.0057 -15.5013 -15.5013 -15.4989 -15.4989 -1.9664 -1.9664 -1.9641 -1.9641 -1.1326 -1.1326 -1.1162 -1.1162 -1.1091 -1.1091 5.3506 5.3506 7.0466 7.0466 7.2262 7.2262 7.3531 7.3531 7.5140 7.5140 7.6193 7.6193 8.0117 8.0117 8.0536 8.0536 8.1970 8.1970 8.2694 8.2694 8.3817 8.3817 10.7508 10.7508 10.8011 10.8011 13.1484 13.1484 13.8597 13.8597 14.5853 14.5853 14.9357 14.9357 15.4003 15.4003 15.8128 15.8128 k = 0.2100 0.1212 0.3429 ( 3132 PWs) bands (ev): -37.0291 -37.0291 -16.0056 -16.0056 -15.5012 -15.5012 -15.4988 -15.4988 -1.9666 -1.9666 -1.9643 -1.9643 -1.1328 -1.1328 -1.1164 -1.1164 -1.1095 -1.1095 5.2917 5.2917 7.0331 7.0331 7.2121 7.2121 7.3448 7.3448 7.4957 7.4957 7.6004 7.6004 8.0232 8.0232 8.0589 8.0589 8.2147 8.2147 8.2886 8.2886 8.4029 8.4029 10.8197 10.8197 10.8869 10.8869 13.2073 13.2073 13.8134 13.8134 14.5724 14.5724 15.0246 15.0246 15.4609 15.4609 15.7926 15.7926 k = 0.2025 0.1169 0.3307 ( 3136 PWs) bands (ev): -37.0291 -37.0291 -16.0055 -16.0055 -15.5011 -15.5011 -15.4987 -15.4987 -1.9668 -1.9668 -1.9645 -1.9645 -1.1331 -1.1331 -1.1166 -1.1166 -1.1100 -1.1100 5.2318 5.2318 7.0212 7.0212 7.1983 7.1983 7.3362 7.3362 7.4774 7.4774 7.5815 7.5815 8.0333 8.0333 8.0659 8.0659 8.2341 8.2341 8.3060 8.3060 8.4262 8.4262 10.8865 10.8865 10.9796 10.9796 13.2666 13.2666 13.7664 13.7664 14.5576 14.5576 15.1040 15.1040 15.5234 15.5234 15.7884 15.7884 k = 0.1950 0.1126 0.3184 ( 3126 PWs) bands (ev): -37.0291 -37.0291 -16.0054 -16.0054 -15.5009 -15.5009 -15.4986 -15.4986 -1.9670 -1.9670 -1.9646 -1.9646 -1.1332 -1.1332 -1.1168 -1.1168 -1.1103 -1.1103 5.1714 5.1714 7.0113 7.0113 7.1849 7.1849 7.3274 7.3274 7.4591 7.4591 7.5629 7.5629 8.0426 8.0426 8.0740 8.0740 8.2549 8.2549 8.3220 8.3220 8.4508 8.4508 10.9548 10.9548 11.0757 11.0757 13.3264 13.3264 13.7188 13.7188 14.5420 14.5420 15.1668 15.1668 15.5872 15.5872 15.8063 15.8063 k = 0.1875 0.1083 0.3062 ( 3130 PWs) bands (ev): -37.0292 -37.0292 -16.0053 -16.0053 -15.5008 -15.5008 -15.4986 -15.4986 -1.9672 -1.9672 -1.9649 -1.9649 -1.1334 -1.1334 -1.1170 -1.1170 -1.1108 -1.1108 5.1108 5.1108 7.0028 7.0028 7.1718 7.1718 7.3183 7.3183 7.4406 7.4406 7.5444 7.5444 8.0513 8.0513 8.0825 8.0825 8.2763 8.2763 8.3373 8.3373 8.4760 8.4760 11.0256 11.0256 11.1738 11.1738 13.3863 13.3863 13.6710 13.6710 14.5260 14.5260 15.2082 15.2082 15.6522 15.6522 15.8507 15.8507 k = 0.1800 0.1039 0.2939 ( 3138 PWs) bands (ev): -37.0292 -37.0292 -16.0053 -16.0053 -15.5007 -15.5007 -15.4985 -15.4985 -1.9674 -1.9674 -1.9652 -1.9652 -1.1336 -1.1336 -1.1173 -1.1173 -1.1114 -1.1114 5.0504 5.0504 6.9959 6.9959 7.1592 7.1592 7.3091 7.3091 7.4221 7.4221 7.5261 7.5261 8.0600 8.0600 8.0911 8.0911 8.2975 8.2975 8.3527 8.3527 8.5010 8.5010 11.0993 11.0993 11.2734 11.2734 13.4464 13.4464 13.6230 13.6230 14.5101 14.5101 15.2285 15.2285 15.7178 15.7178 15.9215 15.9215 k = 0.1725 0.0996 0.2817 ( 3138 PWs) bands (ev): -37.0292 -37.0292 -16.0052 -16.0052 -15.5005 -15.5005 -15.4984 -15.4984 -1.9676 -1.9676 -1.9655 -1.9655 -1.1338 -1.1338 -1.1175 -1.1175 -1.1119 -1.1119 4.9906 4.9906 6.9906 6.9906 7.1472 7.1472 7.3000 7.3000 7.4038 7.4038 7.5082 7.5082 8.0687 8.0687 8.0994 8.0994 8.3178 8.3178 8.3693 8.3693 8.5257 8.5257 11.1760 11.1760 11.3741 11.3741 13.5057 13.5057 13.5761 13.5761 14.4944 14.4944 15.2323 15.2323 15.7836 15.7836 16.0138 16.0138 k = 0.1650 0.0953 0.2694 ( 3144 PWs) bands (ev): -37.0292 -37.0292 -16.0051 -16.0051 -15.5004 -15.5004 -15.4984 -15.4984 -1.9678 -1.9678 -1.9658 -1.9658 -1.1341 -1.1341 -1.1178 -1.1178 -1.1125 -1.1125 4.9317 4.9317 6.9866 6.9866 7.1357 7.1357 7.2908 7.2908 7.3857 7.3857 7.4905 7.4905 8.0773 8.0773 8.1074 8.1074 8.3359 8.3359 8.3880 8.3880 8.5496 8.5496 11.2554 11.2554 11.4756 11.4756 13.5218 13.5218 13.5728 13.5728 14.4794 14.4794 15.2257 15.2257 15.8489 15.8489 16.1215 16.1215 k = 0.1575 0.0909 0.2572 ( 3146 PWs) bands (ev): -37.0292 -37.0292 -16.0050 -16.0050 -15.5002 -15.5002 -15.4983 -15.4983 -1.9680 -1.9680 -1.9661 -1.9661 -1.1343 -1.1343 -1.1181 -1.1181 -1.1130 -1.1130 4.8739 4.8739 6.9836 6.9836 7.1248 7.1248 7.2818 7.2818 7.3680 7.3680 7.4733 7.4733 8.0861 8.0861 8.1152 8.1152 8.3515 8.3515 8.4092 8.4092 8.5723 8.5723 11.3376 11.3376 11.5774 11.5774 13.4762 13.4762 13.6317 13.6317 14.4652 14.4652 15.2134 15.2134 15.9131 15.9131 16.2398 16.2398 k = 0.1500 0.0866 0.2449 ( 3138 PWs) bands (ev): -37.0292 -37.0292 -16.0049 -16.0049 -15.5000 -15.5000 -15.4983 -15.4983 -1.9682 -1.9682 -1.9663 -1.9663 -1.1344 -1.1344 -1.1182 -1.1182 -1.1135 -1.1135 4.8175 4.8175 6.9820 6.9820 7.1147 7.1147 7.2728 7.2728 7.3508 7.3508 7.4566 7.4566 8.0947 8.0947 8.1224 8.1224 8.3646 8.3646 8.4328 8.4328 8.5940 8.5940 11.4223 11.4223 11.6793 11.6793 13.4290 13.4290 13.6927 13.6927 14.4523 14.4523 15.1989 15.1989 15.9752 15.9752 16.3650 16.3650 k = 0.1425 0.0823 0.2327 ( 3146 PWs) bands (ev): -37.0292 -37.0292 -16.0048 -16.0048 -15.4999 -15.4999 -15.4982 -15.4982 -1.9684 -1.9684 -1.9667 -1.9667 -1.1346 -1.1346 -1.1186 -1.1186 -1.1141 -1.1141 4.7628 4.7628 6.9812 6.9812 7.1051 7.1051 7.2638 7.2638 7.3340 7.3340 7.4402 7.4402 8.1030 8.1030 8.1290 8.1290 8.3759 8.3759 8.4576 8.4576 8.6144 8.6144 11.5092 11.5092 11.7805 11.7805 13.3821 13.3821 13.7541 13.7541 14.4410 14.4410 15.1840 15.1840 16.0341 16.0341 16.4946 16.4946 k = 0.1350 0.0779 0.2205 ( 3138 PWs) bands (ev): -37.0293 -37.0293 -16.0047 -16.0047 -15.4997 -15.4997 -15.4982 -15.4982 -1.9686 -1.9686 -1.9669 -1.9669 -1.1347 -1.1347 -1.1188 -1.1188 -1.1146 -1.1146 4.7100 4.7100 6.9813 6.9813 7.0963 7.0963 7.2550 7.2550 7.3180 7.3180 7.4246 7.4246 8.1113 8.1113 8.1355 8.1355 8.3861 8.3861 8.4834 8.4834 8.6337 8.6337 11.5981 11.5981 11.8807 11.8807 13.3360 13.3360 13.8157 13.8157 14.4319 14.4319 15.1704 15.1704 16.0887 16.0887 16.6266 16.6266 k = 0.1275 0.0736 0.2082 ( 3160 PWs) bands (ev): -37.0293 -37.0293 -16.0047 -16.0047 -15.4996 -15.4996 -15.4982 -15.4982 -1.9689 -1.9689 -1.9674 -1.9674 -1.1351 -1.1351 -1.1192 -1.1192 -1.1154 -1.1154 4.6592 4.6592 6.9818 6.9818 7.0879 7.0879 7.2462 7.2462 7.3026 7.3026 7.4092 7.4092 8.1190 8.1190 8.1413 8.1413 8.3950 8.3950 8.5090 8.5090 8.6514 8.6514 11.6884 11.6884 11.9792 11.9792 13.2907 13.2907 13.8771 13.8771 14.4254 14.4254 15.1588 15.1588 16.1373 16.1373 16.7580 16.7580 k = 0.1200 0.0693 0.1960 ( 3156 PWs) bands (ev): -37.0293 -37.0293 -16.0046 -16.0046 -15.4994 -15.4994 -15.4981 -15.4981 -1.9691 -1.9691 -1.9676 -1.9676 -1.1352 -1.1352 -1.1194 -1.1194 -1.1159 -1.1159 4.6107 4.6107 6.9831 6.9831 7.0803 7.0803 7.2376 7.2376 7.2881 7.2881 7.3948 7.3948 8.1266 8.1266 8.1468 8.1468 8.4035 8.4035 8.5349 8.5349 8.6678 8.6678 11.7801 11.7801 12.0754 12.0754 13.2468 13.2468 13.9386 13.9386 14.4220 14.4220 15.1501 15.1501 16.1787 16.1787 16.8494 16.8494 k = 0.1125 0.0650 0.1837 ( 3156 PWs) bands (ev): -37.0293 -37.0293 -16.0045 -16.0045 -15.4992 -15.4992 -15.4981 -15.4981 -1.9692 -1.9692 -1.9679 -1.9679 -1.1354 -1.1354 -1.1196 -1.1196 -1.1164 -1.1164 4.5645 4.5645 6.9849 6.9849 7.0733 7.0733 7.2292 7.2292 7.2744 7.2744 7.3811 7.3811 8.1336 8.1336 8.1519 8.1519 8.4111 8.4111 8.5604 8.5604 8.6831 8.6831 11.8724 11.8724 12.1684 12.1684 13.2043 13.2043 13.9996 13.9996 14.4222 14.4222 15.1448 15.1448 16.2113 16.2113 16.8180 16.8180 k = 0.1050 0.0606 0.1715 ( 3152 PWs) bands (ev): -37.0293 -37.0293 -16.0044 -16.0044 -15.4990 -15.4990 -15.4980 -15.4980 -1.9694 -1.9694 -1.9681 -1.9681 -1.1355 -1.1355 -1.1198 -1.1198 -1.1169 -1.1169 4.5208 4.5208 6.9869 6.9869 7.0667 7.0667 7.2211 7.2211 7.2616 7.2616 7.3683 7.3683 8.1405 8.1405 8.1567 8.1567 8.4183 8.4183 8.5853 8.5853 8.6970 8.6970 11.9649 11.9649 12.2575 12.2575 13.1634 13.1634 14.0603 14.0603 14.4265 14.4265 15.1436 15.1436 16.2341 16.2341 16.7745 16.7745 k = 0.0975 0.0563 0.1592 ( 3153 PWs) bands (ev): -37.0293 -37.0293 -16.0043 -16.0043 -15.4989 -15.4989 -15.4980 -15.4980 -1.9695 -1.9695 -1.9684 -1.9684 -1.1357 -1.1357 -1.1200 -1.1200 -1.1175 -1.1175 4.4797 4.4797 6.9894 6.9894 7.0607 7.0607 7.2131 7.2131 7.2496 7.2496 7.3562 7.3562 8.1468 8.1468 8.1610 8.1610 8.4249 8.4249 8.6095 8.6095 8.7097 8.7097 12.0569 12.0569 12.3419 12.3419 13.1245 13.1245 14.1202 14.1202 14.4350 14.4350 15.1472 15.1472 16.2465 16.2465 16.7275 16.7275 k = 0.0900 0.0520 0.1470 ( 3141 PWs) bands (ev): -37.0293 -37.0293 -16.0042 -16.0042 -15.4987 -15.4987 -15.4979 -15.4979 -1.9696 -1.9696 -1.9686 -1.9686 -1.1357 -1.1357 -1.1200 -1.1200 -1.1179 -1.1179 4.4413 4.4413 6.9921 6.9921 7.0552 7.0552 7.2057 7.2057 7.2384 7.2384 7.3451 7.3451 8.1528 8.1528 8.1651 8.1651 8.4311 8.4311 8.6327 8.6327 8.7213 8.7213 12.1478 12.1478 12.4209 12.4209 13.0877 13.0877 14.1791 14.1791 14.4478 14.4478 15.1561 15.1561 16.2486 16.2486 16.6787 16.6787 k = 0.0825 0.0476 0.1347 ( 3145 PWs) bands (ev): -37.0293 -37.0293 -16.0042 -16.0042 -15.4986 -15.4986 -15.4979 -15.4979 -1.9697 -1.9697 -1.9689 -1.9689 -1.1359 -1.1359 -1.1203 -1.1203 -1.1184 -1.1184 4.4056 4.4056 6.9950 6.9950 7.0501 7.0501 7.1985 7.1985 7.2277 7.2277 7.3351 7.3351 8.1582 8.1582 8.1686 8.1686 8.4366 8.4366 8.6548 8.6548 8.7317 8.7317 12.2366 12.2366 12.4938 12.4938 13.0532 13.0532 14.2369 14.2369 14.4645 14.4645 15.1714 15.1714 16.2411 16.2411 16.6296 16.6296 k = 0.0750 0.0433 0.1225 ( 3149 PWs) bands (ev): -37.0294 -37.0294 -16.0041 -16.0041 -15.4985 -15.4985 -15.4979 -15.4979 -1.9699 -1.9699 -1.9692 -1.9692 -1.1360 -1.1360 -1.1205 -1.1205 -1.1189 -1.1189 4.3729 4.3729 6.9980 6.9980 7.0453 7.0453 7.1919 7.1919 7.2177 7.2177 7.3259 7.3259 8.1631 8.1631 8.1718 8.1718 8.4417 8.4417 8.6755 8.6755 8.7411 8.7411 12.3225 12.3225 12.5600 12.5600 13.0214 13.0214 14.2930 14.2930 14.4846 14.4846 15.1942 15.1942 16.2250 16.2250 16.5815 16.5815 k = 0.0675 0.0390 0.1102 ( 3153 PWs) bands (ev): -37.0294 -37.0294 -16.0041 -16.0041 -15.4984 -15.4984 -15.4979 -15.4979 -1.9700 -1.9700 -1.9695 -1.9695 -1.1362 -1.1362 -1.1207 -1.1207 -1.1194 -1.1194 4.3431 4.3431 7.0010 7.0010 7.0409 7.0409 7.1859 7.1859 7.2084 7.2084 7.3179 7.3179 8.1675 8.1675 8.1747 8.1747 8.4462 8.4462 8.6947 8.6947 8.7493 8.7493 12.4042 12.4042 12.6194 12.6194 12.9926 12.9926 14.3472 14.3472 14.5070 14.5070 15.2254 15.2254 16.2017 16.2017 16.5356 16.5356 k = 0.0600 0.0346 0.0980 ( 3153 PWs) bands (ev): -37.0294 -37.0294 -16.0040 -16.0040 -15.4983 -15.4983 -15.4978 -15.4978 -1.9701 -1.9701 -1.9697 -1.9697 -1.1363 -1.1363 -1.1208 -1.1208 -1.1198 -1.1198 4.3162 4.3162 7.0041 7.0041 7.0369 7.0369 7.1805 7.1805 7.1997 7.1997 7.3108 7.3108 8.1715 8.1715 8.1773 8.1773 8.4504 8.4504 8.7124 8.7124 8.7566 8.7566 12.4806 12.4806 12.6720 12.6720 12.9670 12.9670 14.3990 14.3990 14.5303 14.5303 15.2662 15.2662 16.1729 16.1729 16.4927 16.4927 k = 0.0525 0.0303 0.0857 ( 3151 PWs) bands (ev): -37.0294 -37.0294 -16.0040 -16.0040 -15.4981 -15.4981 -15.4978 -15.4978 -1.9702 -1.9702 -1.9699 -1.9699 -1.1363 -1.1363 -1.1209 -1.1209 -1.1202 -1.1202 4.2925 4.2925 7.0073 7.0073 7.0333 7.0333 7.1758 7.1758 7.1916 7.1916 7.3048 7.3048 8.1750 8.1750 8.1795 8.1795 8.4539 8.4539 8.7285 8.7285 8.7630 8.7630 12.5498 12.5498 12.7181 12.7181 12.9451 12.9451 14.4478 14.4478 14.5533 14.5533 15.3175 15.3175 16.1403 16.1403 16.4534 16.4534 k = 0.0450 0.0260 0.0735 ( 3141 PWs) bands (ev): -37.0294 -37.0294 -16.0039 -16.0039 -15.4980 -15.4980 -15.4978 -15.4978 -1.9702 -1.9702 -1.9699 -1.9699 -1.1363 -1.1363 -1.1209 -1.1209 -1.1204 -1.1204 4.2718 4.2718 7.0104 7.0104 7.0302 7.0302 7.1719 7.1719 7.1843 7.1843 7.2998 7.2998 8.1782 8.1782 8.1814 8.1814 8.4571 8.4571 8.7427 8.7427 8.7685 8.7685 12.6100 12.6100 12.7588 12.7588 12.9271 12.9271 14.4929 14.4929 14.5746 14.5746 15.3797 15.3797 16.1057 16.1057 16.4181 16.4181 k = 0.0375 0.0217 0.0612 ( 3137 PWs) bands (ev): -37.0294 -37.0294 -16.0038 -16.0038 -15.4979 -15.4979 -15.4977 -15.4977 -1.9702 -1.9702 -1.9701 -1.9701 -1.1363 -1.1363 -1.1210 -1.1210 -1.1206 -1.1206 4.2542 4.2542 7.0133 7.0133 7.0275 7.0275 7.1685 7.1685 7.1777 7.1777 7.2957 7.2957 8.1807 8.1807 8.1830 8.1830 8.4597 8.4597 8.7549 8.7549 8.7730 8.7730 12.6590 12.6590 12.7950 12.7950 12.9136 12.9136 14.5334 14.5334 14.5933 14.5933 15.4522 15.4522 16.0710 16.0710 16.3870 16.3870 k = 0.0300 0.0173 0.0490 ( 3131 PWs) bands (ev): -37.0294 -37.0294 -16.0038 -16.0038 -15.4978 -15.4978 -15.4977 -15.4977 -1.9702 -1.9702 -1.9701 -1.9701 -1.1363 -1.1363 -1.1210 -1.1210 -1.1208 -1.1208 4.2398 4.2398 7.0159 7.0159 7.0253 7.0253 7.1658 7.1658 7.1720 7.1720 7.2926 7.2926 8.1828 8.1828 8.1843 8.1843 8.4619 8.4619 8.7650 8.7650 8.7768 8.7768 12.6953 12.6953 12.8274 12.8274 12.9045 12.9045 14.5685 14.5685 14.6088 14.6088 15.5340 15.5340 16.0374 16.0374 16.3605 16.3605 k = 0.0225 0.0130 0.0367 ( 3131 PWs) bands (ev): -37.0294 -37.0294 -16.0038 -16.0038 -15.4978 -15.4978 -15.4977 -15.4977 -1.9702 -1.9702 -1.9702 -1.9702 -1.1364 -1.1364 -1.1211 -1.1211 -1.1209 -1.1209 4.2286 4.2286 7.0180 7.0180 7.0234 7.0234 7.1637 7.1637 7.1674 7.1674 7.2901 7.2901 8.1844 8.1844 8.1853 8.1853 8.4635 8.4635 8.7729 8.7729 8.7796 8.7796 12.7194 12.7194 12.8554 12.8554 12.8993 12.8993 14.5971 14.5971 14.6208 14.6208 15.6228 15.6228 16.0056 16.0056 16.3391 16.3391 k = 0.0150 0.0087 0.0245 ( 3133 PWs) bands (ev): -37.0294 -37.0294 -16.0038 -16.0038 -15.4977 -15.4977 -15.4977 -15.4977 -1.9703 -1.9703 -1.9703 -1.9703 -1.1364 -1.1364 -1.1212 -1.1212 -1.1211 -1.1211 4.2205 4.2205 7.0196 7.0196 7.0221 7.0221 7.1622 7.1622 7.1639 7.1639 7.2883 7.2883 8.1855 8.1855 8.1860 8.1860 8.4647 8.4647 8.7787 8.7787 8.7817 8.7817 12.7335 12.7335 12.8775 12.8775 12.8972 12.8972 14.6184 14.6184 14.6293 14.6293 15.7142 15.7142 15.9741 15.9741 16.3233 16.3233 k = 0.0075 0.0043 0.0122 ( 3137 PWs) bands (ev): -37.0294 -37.0294 -16.0038 -16.0038 -15.4977 -15.4977 -15.4977 -15.4977 -1.9704 -1.9704 -1.9703 -1.9703 -1.1365 -1.1365 -1.1212 -1.1212 -1.1212 -1.1212 4.2157 4.2157 7.0207 7.0207 7.0213 7.0213 7.1613 7.1613 7.1618 7.1618 7.2873 7.2873 8.1862 8.1862 8.1863 8.1863 8.4653 8.4653 8.7821 8.7821 8.7829 8.7829 12.7405 12.7405 12.8916 12.8916 12.8966 12.8966 14.6316 14.6316 14.6343 14.6343 15.8008 15.8008 15.9379 15.9379 16.3136 16.3136 k = 0.0000 0.0000 0.0000 ( 3143 PWs) bands (ev): -37.0294 -37.0294 -16.0038 -16.0038 -15.4977 -15.4977 -15.4977 -15.4977 -1.9704 -1.9704 -1.9704 -1.9704 -1.1366 -1.1366 -1.1213 -1.1213 -1.1213 -1.1213 4.2141 4.2141 7.0210 7.0210 7.0210 7.0210 7.1610 7.1610 7.1610 7.1610 7.2870 7.2870 8.1863 8.1863 8.1863 8.1863 8.4654 8.4654 8.7833 8.7833 8.7833 8.7833 12.7426 12.7426 12.8965 12.8965 12.8965 12.8965 14.6360 14.6360 14.6360 14.6360 15.8566 15.8566 15.9028 15.9028 16.3103 16.3103 k = 0.0000 0.0000 0.0000 ( 3143 PWs) bands (ev): -37.0294 -37.0294 -16.0038 -16.0038 -15.4977 -15.4977 -15.4977 -15.4977 -1.9704 -1.9704 -1.9704 -1.9704 -1.1366 -1.1366 -1.1213 -1.1213 -1.1213 -1.1213 4.2141 4.2141 7.0210 7.0210 7.0210 7.0210 7.1610 7.1610 7.1610 7.1610 7.2870 7.2870 8.1863 8.1863 8.1863 8.1863 8.4654 8.4654 8.7833 8.7833 8.7833 8.7833 12.7426 12.7426 12.8965 12.8965 12.8965 12.8965 14.6360 14.6360 14.6360 14.6360 15.8566 15.8566 15.9028 15.9028 16.3103 16.3103 k = 0.0122 0.0070 0.0050 ( 3137 PWs) bands (ev): -37.0294 -37.0294 -16.0038 -16.0038 -15.4977 -15.4977 -15.4977 -15.4977 -1.9704 -1.9704 -1.9703 -1.9703 -1.1365 -1.1365 -1.1212 -1.1212 -1.1212 -1.1212 4.2157 4.2157 7.0209 7.0209 7.0210 7.0210 7.1614 7.1614 7.1617 7.1617 7.2873 7.2873 8.1862 8.1862 8.1862 8.1862 8.4653 8.4653 8.7824 8.7824 8.7826 8.7826 12.7405 12.7405 12.8913 12.8913 12.8969 12.8969 14.6327 14.6327 14.6332 14.6332 15.8010 15.8010 15.9379 15.9379 16.3140 16.3140 k = 0.0244 0.0141 0.0100 ( 3137 PWs) bands (ev): -37.0294 -37.0294 -16.0038 -16.0038 -15.4977 -15.4977 -15.4977 -15.4977 -1.9704 -1.9704 -1.9703 -1.9703 -1.1365 -1.1365 -1.1212 -1.1212 -1.1211 -1.1211 4.2205 4.2205 7.0206 7.0206 7.0211 7.0211 7.1625 7.1625 7.1636 7.1636 7.2883 7.2883 8.1856 8.1856 8.1857 8.1857 8.4646 8.4646 8.7799 8.7799 8.7805 8.7805 12.7331 12.7331 12.8771 12.8771 12.8981 12.8981 14.6230 14.6230 14.6251 14.6251 15.7139 15.7139 15.9749 15.9749 16.3249 16.3249 k = 0.0366 0.0211 0.0149 ( 3137 PWs) bands (ev): -37.0294 -37.0294 -16.0038 -16.0038 -15.4978 -15.4978 -15.4977 -15.4977 -1.9703 -1.9703 -1.9702 -1.9702 -1.1364 -1.1364 -1.1212 -1.1212 -1.1210 -1.1210 4.2284 4.2284 7.0202 7.0202 7.0213 7.0213 7.1642 7.1642 7.1667 7.1667 7.2900 7.2900 8.1846 8.1846 8.1849 8.1849 8.4634 8.4634 8.7757 8.7757 8.7770 8.7770 12.7167 12.7167 12.8578 12.8578 12.9001 12.9001 14.6074 14.6074 14.6118 14.6118 15.6203 15.6203 16.0086 16.0086 16.3428 16.3428 k = 0.0488 0.0282 0.0199 ( 3131 PWs) bands (ev): -37.0294 -37.0294 -16.0038 -16.0038 -15.4978 -15.4978 -15.4977 -15.4977 -1.9702 -1.9702 -1.9701 -1.9701 -1.1363 -1.1363 -1.1210 -1.1210 -1.1207 -1.1207 4.2396 4.2396 7.0196 7.0196 7.0216 7.0216 7.1665 7.1665 7.1711 7.1711 7.2925 7.2925 8.1833 8.1833 8.1838 8.1838 8.4619 8.4619 8.7699 8.7699 8.7721 8.7721 12.6854 12.6854 12.8396 12.8396 12.9028 12.9028 14.5868 14.5868 14.5940 14.5940 15.5273 15.5273 16.0443 16.0443 16.3670 16.3670 k = 0.0610 0.0352 0.0249 ( 3140 PWs) bands (ev): -37.0294 -37.0294 -16.0038 -16.0038 -15.4979 -15.4979 -15.4977 -15.4977 -1.9702 -1.9702 -1.9701 -1.9701 -1.1364 -1.1364 -1.1211 -1.1211 -1.1206 -1.1206 4.2539 4.2539 7.0188 7.0188 7.0221 7.0221 7.1693 7.1693 7.1766 7.1766 7.2956 7.2956 8.1815 8.1815 8.1822 8.1822 8.4597 8.4597 8.7623 8.7623 8.7658 8.7658 12.6351 12.6351 12.8275 12.8275 12.9062 12.9062 14.5619 14.5619 14.5723 14.5723 15.4381 15.4381 16.0842 16.0842 16.3971 16.3971 k = 0.0732 0.0422 0.0299 ( 3140 PWs) bands (ev): -37.0294 -37.0294 -16.0039 -16.0039 -15.4980 -15.4980 -15.4977 -15.4977 -1.9701 -1.9701 -1.9700 -1.9700 -1.1363 -1.1363 -1.1210 -1.1210 -1.1203 -1.1203 4.2713 4.2713 7.0182 7.0182 7.0228 7.0228 7.1726 7.1726 7.1831 7.1831 7.2997 7.2997 8.1793 8.1793 8.1803 8.1803 8.4571 8.4571 8.7532 8.7532 8.7582 8.7582 12.5665 12.5665 12.8213 12.8213 12.9100 12.9100 14.5339 14.5339 14.5474 14.5474 15.3544 15.3544 16.1285 16.1285 16.4322 16.4322 k = 0.0854 0.0493 0.0349 ( 3152 PWs) bands (ev): -37.0294 -37.0294 -16.0040 -16.0040 -15.4982 -15.4982 -15.4978 -15.4978 -1.9701 -1.9701 -1.9700 -1.9700 -1.1364 -1.1364 -1.1209 -1.1209 -1.1201 -1.1201 4.2918 4.2918 7.0177 7.0177 7.0239 7.0239 7.1761 7.1761 7.1904 7.1904 7.3046 7.3046 8.1767 8.1767 8.1779 8.1779 8.4539 8.4539 8.7425 8.7425 8.7493 8.7493 12.4826 12.4826 12.8191 12.8191 12.9143 12.9143 14.5037 14.5037 14.5200 14.5200 15.2770 15.2770 16.1770 16.1770 16.4717 16.4717 k = 0.0976 0.0563 0.0398 ( 3152 PWs) bands (ev): -37.0294 -37.0294 -16.0040 -16.0040 -15.4983 -15.4983 -15.4978 -15.4978 -1.9699 -1.9699 -1.9699 -1.9699 -1.1363 -1.1363 -1.1208 -1.1208 -1.1198 -1.1198 4.3154 4.3154 7.0174 7.0174 7.0254 7.0254 7.1800 7.1800 7.1987 7.1987 7.3104 7.3104 8.1737 8.1737 8.1751 8.1751 8.4502 8.4502 8.7303 8.7303 8.7392 8.7392 12.3862 12.3862 12.8192 12.8192 12.9188 12.9188 14.4722 14.4722 14.4910 14.4910 15.2060 15.2060 16.2290 16.2290 16.5147 16.5147 k = 0.1098 0.0634 0.0448 ( 3161 PWs) bands (ev): -37.0294 -37.0294 -16.0041 -16.0041 -15.4984 -15.4984 -15.4978 -15.4978 -1.9698 -1.9698 -1.9698 -1.9698 -1.1362 -1.1362 -1.1208 -1.1208 -1.1195 -1.1195 4.3420 4.3420 7.0174 7.0174 7.0273 7.0273 7.1841 7.1841 7.2076 7.2076 7.3172 7.3172 8.1702 8.1702 8.1720 8.1720 8.4460 8.4460 8.7166 8.7166 8.7279 8.7279 12.2794 12.2794 12.8204 12.8204 12.9233 12.9233 14.4404 14.4404 14.4612 14.4612 15.1413 15.1413 16.2838 16.2838 16.5606 16.5606 k = 0.1220 0.0704 0.0498 ( 3155 PWs) bands (ev): -37.0294 -37.0294 -16.0041 -16.0041 -15.4985 -15.4985 -15.4978 -15.4978 -1.9696 -1.9696 -1.9696 -1.9696 -1.1360 -1.1360 -1.1206 -1.1206 -1.1190 -1.1190 4.3715 4.3715 7.0177 7.0177 7.0297 7.0297 7.1887 7.1887 7.2174 7.2174 7.3248 7.3248 8.1666 8.1666 8.1684 8.1684 8.4414 8.4414 8.7014 8.7014 8.7154 8.7154 12.1639 12.1639 12.8223 12.8223 12.9278 12.9278 14.4089 14.4089 14.4312 14.4312 15.0824 15.0824 16.3408 16.3408 16.6087 16.6087 k = 0.1341 0.0774 0.0548 ( 3146 PWs) bands (ev): -37.0293 -37.0293 -16.0042 -16.0042 -15.4986 -15.4986 -15.4979 -15.4979 -1.9694 -1.9694 -1.9692 -1.9692 -1.1358 -1.1358 -1.1204 -1.1204 -1.1184 -1.1184 4.4040 4.4040 7.0185 7.0185 7.0327 7.0327 7.1937 7.1937 7.2278 7.2278 7.3333 7.3333 8.1625 8.1625 8.1644 8.1644 8.4362 8.4362 8.6851 8.6851 8.7019 8.7019 12.0411 12.0411 12.8243 12.8243 12.9319 12.9319 14.3786 14.3786 14.4019 14.4019 15.0291 15.0291 16.3994 16.3994 16.6584 16.6584 k = 0.1463 0.0845 0.0597 ( 3140 PWs) bands (ev): -37.0293 -37.0293 -16.0042 -16.0042 -15.4987 -15.4987 -15.4979 -15.4979 -1.9692 -1.9692 -1.9689 -1.9689 -1.1356 -1.1356 -1.1202 -1.1202 -1.1178 -1.1178 4.4393 4.4393 7.0196 7.0196 7.0363 7.0363 7.1990 7.1990 7.2389 7.2389 7.3427 7.3427 8.1581 8.1581 8.1599 8.1599 8.4304 8.4304 8.6673 8.6673 8.6873 8.6873 11.9123 11.9123 12.8259 12.8259 12.9355 12.9355 14.3499 14.3499 14.3737 14.3737 14.9806 14.9806 16.4589 16.4589 16.7089 16.7089 k = 0.1585 0.0915 0.0647 ( 3134 PWs) bands (ev): -37.0293 -37.0293 -16.0043 -16.0043 -15.4989 -15.4989 -15.4979 -15.4979 -1.9690 -1.9690 -1.9686 -1.9686 -1.1355 -1.1355 -1.1199 -1.1199 -1.1172 -1.1172 4.4774 4.4774 7.0211 7.0211 7.0405 7.0405 7.2049 7.2049 7.2505 7.2505 7.3528 7.3528 8.1534 8.1534 8.1550 8.1550 8.4241 8.4241 8.6481 8.6481 8.6716 8.6716 11.7787 11.7787 12.8270 12.8270 12.9382 12.9382 14.3235 14.3235 14.3474 14.3474 14.9366 14.9366 16.5189 16.5189 16.7597 16.7597 k = 0.1707 0.0986 0.0697 ( 3140 PWs) bands (ev): -37.0293 -37.0293 -16.0044 -16.0044 -15.4991 -15.4991 -15.4979 -15.4979 -1.9688 -1.9688 -1.9684 -1.9684 -1.1354 -1.1354 -1.1198 -1.1198 -1.1166 -1.1166 4.5182 4.5182 7.0230 7.0230 7.0453 7.0453 7.2112 7.2112 7.2625 7.2625 7.3635 7.3635 8.1482 8.1482 8.1495 8.1495 8.4170 8.4170 8.6277 8.6277 8.6550 8.6550 11.6413 11.6413 12.8272 12.8272 12.9399 12.9399 14.2997 14.2997 14.3235 14.3235 14.8966 14.8966 16.5787 16.5787 16.7067 16.7067 k = 0.1829 0.1056 0.0747 ( 3128 PWs) bands (ev): -37.0293 -37.0293 -16.0044 -16.0044 -15.4992 -15.4992 -15.4979 -15.4979 -1.9686 -1.9686 -1.9680 -1.9680 -1.1351 -1.1351 -1.1195 -1.1195 -1.1159 -1.1159 4.5616 4.5616 7.0256 7.0256 7.0506 7.0506 7.2181 7.2181 7.2749 7.2749 7.3748 7.3748 8.1428 8.1428 8.1440 8.1440 8.4098 8.4098 8.6063 8.6063 8.6376 8.6376 11.5013 11.5013 12.8263 12.8263 12.9403 12.9403 14.2792 14.2792 14.3025 14.3025 14.8601 14.8601 16.6045 16.6045 16.6395 16.6395 k = 0.1951 0.1127 0.0797 ( 3140 PWs) bands (ev): -37.0293 -37.0293 -16.0045 -16.0045 -15.4994 -15.4994 -15.4980 -15.4980 -1.9685 -1.9685 -1.9679 -1.9679 -1.1350 -1.1350 -1.1195 -1.1195 -1.1155 -1.1155 4.6075 4.6075 7.0287 7.0287 7.0565 7.0565 7.2254 7.2254 7.2874 7.2874 7.3866 7.3866 8.1370 8.1370 8.1377 8.1377 8.4017 8.4017 8.5837 8.5837 8.6193 8.6193 11.3590 11.3590 12.8242 12.8242 12.9392 12.9392 14.2621 14.2621 14.2847 14.2847 14.8266 14.8266 16.4989 16.4989 16.6971 16.6971 k = 0.2073 0.1197 0.0846 ( 3143 PWs) bands (ev): -37.0293 -37.0293 -16.0046 -16.0046 -15.4996 -15.4996 -15.4980 -15.4980 -1.9683 -1.9683 -1.9676 -1.9676 -1.1348 -1.1348 -1.1194 -1.1194 -1.1148 -1.1148 4.6558 4.6558 7.0323 7.0323 7.0629 7.0629 7.2337 7.2337 7.3004 7.3004 7.3988 7.3988 8.1311 8.1311 8.1312 8.1312 8.3932 8.3932 8.5601 8.5601 8.6003 8.6003 11.2154 11.2154 12.8206 12.8206 12.9364 12.9364 14.2488 14.2488 14.2707 14.2707 14.7959 14.7959 16.3894 16.3894 16.7541 16.7541 k = 0.2195 0.1267 0.0896 ( 3143 PWs) bands (ev): -37.0293 -37.0293 -16.0047 -16.0047 -15.4998 -15.4998 -15.4980 -15.4980 -1.9681 -1.9681 -1.9673 -1.9673 -1.1347 -1.1347 -1.1191 -1.1191 -1.1141 -1.1141 4.7062 4.7062 7.0366 7.0366 7.0700 7.0700 7.2428 7.2428 7.3138 7.3138 7.4114 7.4114 8.1244 8.1244 8.1248 8.1248 8.3840 8.3840 8.5356 8.5356 8.5806 8.5806 11.0711 11.0711 12.8156 12.8156 12.9319 12.9319 14.2395 14.2395 14.2605 14.2605 14.7676 14.7676 16.2787 16.2787 16.8093 16.8093 k = 0.2317 0.1338 0.0946 ( 3143 PWs) bands (ev): -37.0292 -37.0292 -16.0048 -16.0048 -15.5000 -15.5000 -15.4981 -15.4981 -1.9678 -1.9678 -1.9670 -1.9670 -1.1345 -1.1345 -1.1189 -1.1189 -1.1135 -1.1135 4.7588 4.7588 7.0417 7.0417 7.0776 7.0776 7.2527 7.2527 7.3273 7.3273 7.4244 7.4244 8.1173 8.1173 8.1183 8.1183 8.3744 8.3744 8.5101 8.5101 8.5604 8.5604 10.9266 10.9266 12.8090 12.8090 12.9256 12.9256 14.2342 14.2342 14.2545 14.2545 14.7415 14.7415 16.1682 16.1682 16.8621 16.8621 k = 0.2439 0.1408 0.0996 ( 3140 PWs) bands (ev): -37.0292 -37.0292 -16.0049 -16.0049 -15.5002 -15.5002 -15.4981 -15.4981 -1.9676 -1.9676 -1.9668 -1.9668 -1.1343 -1.1343 -1.1187 -1.1187 -1.1128 -1.1128 4.8133 4.8133 7.0475 7.0475 7.0858 7.0858 7.2634 7.2634 7.3411 7.3411 7.4376 7.4376 8.1099 8.1099 8.1115 8.1115 8.3641 8.3641 8.4840 8.4840 8.5397 8.5397 10.7825 10.7825 12.8009 12.8009 12.9175 12.9175 14.2331 14.2331 14.2526 14.2526 14.7173 14.7173 16.0589 16.0589 16.9120 16.9120 k = 0.2561 0.1479 0.1046 ( 3143 PWs) bands (ev): -37.0292 -37.0292 -16.0050 -16.0050 -15.5004 -15.5004 -15.4981 -15.4981 -1.9674 -1.9674 -1.9665 -1.9665 -1.1342 -1.1342 -1.1185 -1.1185 -1.1121 -1.1121 4.8696 4.8696 7.0541 7.0541 7.0944 7.0944 7.2750 7.2750 7.3550 7.3550 7.4509 7.4509 8.1024 8.1024 8.1044 8.1044 8.3533 8.3533 8.4571 8.4571 8.5186 8.5186 10.6392 10.6392 12.7914 12.7914 12.9076 12.9076 14.2361 14.2361 14.2549 14.2549 14.6948 14.6948 15.9518 15.9518 16.9579 16.9579 k = 0.2683 0.1549 0.1095 ( 3149 PWs) bands (ev): -37.0292 -37.0292 -16.0051 -16.0051 -15.5006 -15.5006 -15.4982 -15.4982 -1.9672 -1.9672 -1.9663 -1.9663 -1.1341 -1.1341 -1.1183 -1.1183 -1.1115 -1.1115 4.9274 4.9274 7.0614 7.0614 7.1034 7.1034 7.2875 7.2875 7.3690 7.3690 7.4642 7.4642 8.0949 8.0949 8.0973 8.0973 8.3420 8.3420 8.4295 8.4295 8.4971 8.4971 10.4970 10.4970 12.7805 12.7805 12.8961 12.8961 14.2429 14.2429 14.2612 14.2612 14.6738 14.6738 15.8475 15.8475 16.9985 16.9985 k = 0.2805 0.1619 0.1145 ( 3143 PWs) bands (ev): -37.0292 -37.0292 -16.0052 -16.0052 -15.5008 -15.5008 -15.4982 -15.4982 -1.9669 -1.9669 -1.9659 -1.9659 -1.1338 -1.1338 -1.1181 -1.1181 -1.1108 -1.1108 4.9864 4.9864 7.0696 7.0696 7.1128 7.1128 7.3010 7.3010 7.3831 7.3831 7.4777 7.4777 8.0875 8.0875 8.0901 8.0901 8.3303 8.3303 8.4015 8.4015 8.4755 8.4755 10.3565 10.3565 12.7685 12.7685 12.8832 12.8832 14.2535 14.2535 14.2713 14.2713 14.6541 14.6541 15.7466 15.7466 17.0315 17.0315 k = 0.2927 0.1690 0.1195 ( 3143 PWs) bands (ev): -37.0292 -37.0292 -16.0053 -16.0053 -15.5009 -15.5009 -15.4982 -15.4982 -1.9668 -1.9668 -1.9656 -1.9656 -1.1336 -1.1336 -1.1178 -1.1178 -1.1102 -1.1102 5.0465 5.0465 7.0788 7.0788 7.1224 7.1224 7.3153 7.3153 7.3971 7.3971 7.4910 7.4910 8.0802 8.0802 8.0828 8.0828 8.3178 8.3178 8.3732 8.3732 8.4537 8.4537 10.2181 10.2181 12.7555 12.7555 12.8691 12.8691 14.2676 14.2676 14.2850 14.2850 14.6356 14.6356 15.6496 15.6496 17.0527 17.0527 k = 0.3049 0.1760 0.1245 ( 3149 PWs) bands (ev): -37.0292 -37.0292 -16.0054 -16.0054 -15.5011 -15.5011 -15.4983 -15.4983 -1.9666 -1.9666 -1.9653 -1.9653 -1.1335 -1.1335 -1.1177 -1.1177 -1.1096 -1.1096 5.1074 5.1074 7.0886 7.0886 7.1322 7.1322 7.3305 7.3305 7.4112 7.4112 7.5043 7.5043 8.0730 8.0730 8.0754 8.0754 8.3043 8.3043 8.3452 8.3452 8.4320 8.4320 10.0817 10.0817 12.7417 12.7417 12.8540 12.8540 14.2849 14.2849 14.3019 14.3019 14.6182 14.6182 15.5568 15.5568 17.0562 17.0562 k = 0.3171 0.1831 0.1294 ( 3149 PWs) bands (ev): -37.0292 -37.0292 -16.0054 -16.0054 -15.5013 -15.5013 -15.4983 -15.4983 -1.9664 -1.9664 -1.9650 -1.9650 -1.1333 -1.1333 -1.1175 -1.1175 -1.1090 -1.1090 5.1686 5.1686 7.0993 7.0993 7.1422 7.1422 7.3467 7.3467 7.4251 7.4251 7.5174 7.5174 8.0662 8.0662 8.0680 8.0680 8.2888 8.2888 8.3187 8.3187 8.4104 8.4104 9.9481 9.9481 12.7275 12.7275 12.8383 12.8383 14.3049 14.3049 14.3217 14.3217 14.6017 14.6017 15.4687 15.4687 17.0374 17.0374 k = 0.3293 0.1901 0.1344 ( 3149 PWs) bands (ev): -37.0291 -37.0291 -16.0055 -16.0055 -15.5015 -15.5015 -15.4983 -15.4983 -1.9662 -1.9662 -1.9648 -1.9648 -1.1332 -1.1332 -1.1173 -1.1173 -1.1084 -1.1084 5.2298 5.2298 7.1108 7.1108 7.1523 7.1523 7.3638 7.3638 7.4389 7.4389 7.5303 7.5303 8.0599 8.0599 8.0607 8.0607 8.2686 8.2686 8.2963 8.2963 8.3890 8.3890 9.8176 9.8176 12.7130 12.7130 12.8222 12.8222 14.3274 14.3274 14.3439 14.3439 14.5860 14.5860 15.3856 15.3856 16.9990 16.9990 k = 0.3415 0.1971 0.1394 ( 3160 PWs) bands (ev): -37.0291 -37.0291 -16.0056 -16.0056 -15.5017 -15.5017 -15.4984 -15.4984 -1.9662 -1.9662 -1.9646 -1.9646 -1.1331 -1.1331 -1.1172 -1.1172 -1.1079 -1.1079 5.2906 5.2906 7.1229 7.1229 7.1623 7.1623 7.3818 7.3818 7.4524 7.4524 7.5428 7.5428 8.0533 8.0533 8.0539 8.0539 8.2428 8.2428 8.2791 8.2791 8.3681 8.3681 9.6904 9.6904 12.6984 12.6984 12.8060 12.8060 14.3519 14.3519 14.3682 14.3682 14.5711 14.5711 15.3078 15.3078 16.9484 16.9484 k = 0.3537 0.2042 0.1444 ( 3154 PWs) bands (ev): -37.0291 -37.0291 -16.0057 -16.0057 -15.5018 -15.5018 -15.4984 -15.4984 -1.9659 -1.9659 -1.9643 -1.9643 -1.1329 -1.1329 -1.1170 -1.1170 -1.1073 -1.1073 5.3506 5.3506 7.1357 7.1357 7.1722 7.1722 7.4010 7.4010 7.4658 7.4658 7.5552 7.5552 8.0462 8.0462 8.0487 8.0487 8.2142 8.2142 8.2650 8.2650 8.3478 8.3478 9.5672 9.5672 12.6840 12.6840 12.7900 12.7900 14.3779 14.3779 14.3940 14.3940 14.5569 14.5569 15.2355 15.2355 16.8921 16.8921 k = 0.3659 0.2112 0.1494 ( 3154 PWs) bands (ev): -37.0291 -37.0291 -16.0058 -16.0058 -15.5020 -15.5020 -15.4984 -15.4984 -1.9658 -1.9658 -1.9641 -1.9641 -1.1328 -1.1328 -1.1168 -1.1168 -1.1068 -1.1068 5.4092 5.4092 7.1490 7.1490 7.1819 7.1819 7.4212 7.4212 7.4788 7.4788 7.5671 7.5671 8.0392 8.0392 8.0440 8.0440 8.1843 8.1843 8.2522 8.2522 8.3280 8.3280 9.4484 9.4484 12.6700 12.6700 12.7744 12.7744 14.4050 14.4050 14.4208 14.4208 14.5433 14.5433 15.1689 15.1689 16.8340 16.8340 k = 0.3780 0.2183 0.1543 ( 3154 PWs) bands (ev): -37.0291 -37.0291 -16.0058 -16.0058 -15.5021 -15.5021 -15.4984 -15.4984 -1.9656 -1.9656 -1.9639 -1.9639 -1.1326 -1.1326 -1.1167 -1.1167 -1.1063 -1.1063 5.4659 5.4659 7.1625 7.1625 7.1913 7.1913 7.4426 7.4426 7.4913 7.4913 7.5786 7.5786 8.0326 8.0326 8.0397 8.0397 8.1542 8.1542 8.2403 8.2403 8.3090 8.3090 9.3344 9.3344 12.6566 12.6566 12.7594 12.7594 14.4325 14.4325 14.4481 14.4481 14.5304 14.5304 15.1083 15.1083 16.7764 16.7764 k = 0.3902 0.2253 0.1593 ( 3157 PWs) bands (ev): -37.0291 -37.0291 -16.0059 -16.0059 -15.5022 -15.5022 -15.4984 -15.4984 -1.9654 -1.9654 -1.9638 -1.9638 -1.1326 -1.1326 -1.1166 -1.1166 -1.1058 -1.1058 5.5200 5.5200 7.1759 7.1759 7.2002 7.2002 7.4653 7.4653 7.5033 7.5033 7.5897 7.5897 8.0262 8.0262 8.0350 8.0350 8.1249 8.1249 8.2292 8.2292 8.2911 8.2911 9.2259 9.2259 12.6440 12.6440 12.7452 12.7452 14.4599 14.4599 14.4754 14.4754 14.5183 14.5183 15.0537 15.0537 16.7208 16.7208 k = 0.4024 0.2323 0.1643 ( 3157 PWs) bands (ev): -37.0291 -37.0291 -16.0059 -16.0059 -15.5024 -15.5024 -15.4984 -15.4984 -1.9653 -1.9653 -1.9636 -1.9636 -1.1325 -1.1325 -1.1165 -1.1165 -1.1054 -1.1054 5.5710 5.5710 7.1893 7.1893 7.2086 7.2086 7.4894 7.4894 7.5147 7.5147 7.6003 7.6003 8.0202 8.0202 8.0283 8.0283 8.0981 8.0981 8.2192 8.2192 8.2743 8.2743 9.1237 9.1237 12.6323 12.6323 12.7321 12.7321 14.4853 14.4853 14.5021 14.5021 14.5082 14.5082 15.0053 15.0053 16.6682 16.6682 k = 0.4146 0.2394 0.1693 ( 3157 PWs) bands (ev): -37.0291 -37.0291 -16.0060 -16.0060 -15.5025 -15.5025 -15.4985 -15.4985 -1.9652 -1.9652 -1.9634 -1.9634 -1.1323 -1.1323 -1.1163 -1.1163 -1.1050 -1.1050 5.6182 5.6182 7.2021 7.2021 7.2162 7.2162 7.5148 7.5148 7.5252 7.5252 7.6104 7.6104 8.0147 8.0147 8.0156 8.0156 8.0777 8.0777 8.2104 8.2104 8.2589 8.2589 9.0287 9.0287 12.6216 12.6216 12.7202 12.7202 14.4915 14.4915 14.5168 14.5168 14.5276 14.5276 14.9630 14.9630 16.6195 16.6195 k = 0.4268 0.2464 0.1743 ( 3154 PWs) bands (ev): -37.0291 -37.0291 -16.0060 -16.0060 -15.5026 -15.5026 -15.4985 -15.4985 -1.9650 -1.9650 -1.9633 -1.9633 -1.1322 -1.1322 -1.1162 -1.1162 -1.1046 -1.1046 5.6609 5.6609 7.2140 7.2140 7.2232 7.2232 7.5348 7.5348 7.5415 7.5415 7.6203 7.6203 7.9937 7.9937 8.0098 8.0098 8.0669 8.0669 8.2030 8.2030 8.2450 8.2450 8.9418 8.9418 12.6122 12.6122 12.7095 12.7095 14.4825 14.4825 14.5397 14.5397 14.5513 14.5513 14.9268 14.9268 16.5755 16.5755 k = 0.4390 0.2535 0.1792 ( 3160 PWs) bands (ev): -37.0291 -37.0291 -16.0061 -16.0061 -15.5027 -15.5027 -15.4985 -15.4985 -1.9650 -1.9650 -1.9632 -1.9632 -1.1322 -1.1322 -1.1162 -1.1162 -1.1044 -1.1044 5.6984 5.6984 7.2248 7.2248 7.2292 7.2292 7.5432 7.5432 7.5685 7.5685 7.6305 7.6305 7.9647 7.9647 8.0053 8.0053 8.0631 8.0631 8.1972 8.1972 8.2327 8.2327 8.8642 8.8642 12.6040 12.6040 12.7003 12.7003 14.4735 14.4735 14.5614 14.5614 14.5726 14.5726 14.8966 14.8966 16.5368 16.5368 k = 0.4512 0.2605 0.1842 ( 3157 PWs) bands (ev): -37.0291 -37.0291 -16.0061 -16.0061 -15.5027 -15.5027 -15.4985 -15.4985 -1.9649 -1.9649 -1.9630 -1.9630 -1.1321 -1.1321 -1.1161 -1.1161 -1.1042 -1.1042 5.7301 5.7301 7.2341 7.2341 7.2342 7.2342 7.5504 7.5504 7.5940 7.5940 7.6426 7.6426 7.9326 7.9326 8.0016 8.0016 8.0627 8.0627 8.1932 8.1932 8.2225 8.2225 8.7973 8.7973 12.5972 12.5972 12.6927 12.6927 14.4654 14.4654 14.5803 14.5803 14.5910 14.5910 14.8723 14.8723 16.5041 16.5041 k = 0.4634 0.2676 0.1892 ( 3160 PWs) bands (ev): -37.0291 -37.0291 -16.0061 -16.0061 -15.5028 -15.5028 -15.4985 -15.4985 -1.9649 -1.9649 -1.9630 -1.9630 -1.1321 -1.1321 -1.1160 -1.1160 -1.1041 -1.1041 5.7554 5.7554 7.2383 7.2383 7.2416 7.2416 7.5561 7.5561 7.6136 7.6136 7.6600 7.6600 7.8994 7.8994 7.9985 7.9985 8.0635 8.0635 8.1908 8.1908 8.2143 8.2143 8.7426 8.7426 12.5918 12.5918 12.6866 12.6866 14.4588 14.4588 14.5958 14.5958 14.6059 14.6059 14.8536 14.8536 16.4779 16.4779 k = 0.4756 0.2746 0.1942 ( 3154 PWs) bands (ev): -37.0291 -37.0291 -16.0061 -16.0061 -15.5028 -15.5028 -15.4985 -15.4985 -1.9648 -1.9648 -1.9629 -1.9629 -1.1320 -1.1320 -1.1159 -1.1159 -1.1039 -1.1039 5.7738 5.7738 7.2412 7.2412 7.2471 7.2471 7.5604 7.5604 7.6250 7.6250 7.6837 7.6837 7.8674 7.8674 7.9964 7.9964 8.0646 8.0646 8.1898 8.1898 8.2084 8.2084 8.7018 8.7018 12.5880 12.5880 12.6823 12.6823 14.4539 14.4539 14.6073 14.6073 14.6170 14.6170 14.8404 14.8404 16.4589 16.4589 k = 0.4878 0.2816 0.1991 ( 3142 PWs) bands (ev): -37.0291 -37.0291 -16.0061 -16.0061 -15.5028 -15.5028 -15.4985 -15.4985 -1.9646 -1.9646 -1.9628 -1.9628 -1.1318 -1.1318 -1.1158 -1.1158 -1.1037 -1.1037 5.7851 5.7851 7.2431 7.2431 7.2505 7.2505 7.5631 7.5631 7.6306 7.6306 7.7070 7.7070 7.8405 7.8405 7.9952 7.9952 8.0656 8.0656 8.1896 8.1896 8.2049 8.2049 8.6765 8.6765 12.5858 12.5858 12.6798 12.6798 14.4508 14.4508 14.6144 14.6144 14.6237 14.6237 14.8325 14.8325 16.4473 16.4473 k = 0.5000 0.2887 0.2041 ( 3142 PWs) bands (ev): -37.0291 -37.0291 -16.0061 -16.0061 -15.5028 -15.5028 -15.4985 -15.4985 -1.9646 -1.9646 -1.9628 -1.9628 -1.1318 -1.1318 -1.1158 -1.1158 -1.1036 -1.1036 5.7888 5.7888 7.2437 7.2437 7.2517 7.2517 7.5640 7.5640 7.6322 7.6322 7.7179 7.7179 7.8285 7.8285 7.9947 7.9947 8.0659 8.0659 8.1896 8.1896 8.2037 8.2037 8.6679 8.6679 12.5850 12.5850 12.6789 12.6789 14.4498 14.4498 14.6168 14.6168 14.6260 14.6260 14.8299 14.8299 16.4434 16.4434 k = 0.5000 0.2887 0.2041 ( 3142 PWs) bands (ev): -37.0291 -37.0291 -16.0061 -16.0061 -15.5028 -15.5028 -15.4985 -15.4985 -1.9646 -1.9646 -1.9628 -1.9628 -1.1318 -1.1318 -1.1158 -1.1158 -1.1036 -1.1036 5.7888 5.7888 7.2437 7.2437 7.2517 7.2517 7.5640 7.5640 7.6322 7.6322 7.7179 7.7179 7.8285 7.8285 7.9947 7.9947 8.0659 8.0659 8.1896 8.1896 8.2037 8.2037 8.6679 8.6679 12.5850 12.5850 12.6789 12.6789 14.4498 14.4498 14.6168 14.6168 14.6260 14.6260 14.8299 14.8299 16.4434 16.4434 k = 0.5043 0.2762 0.2112 ( 3148 PWs) bands (ev): -37.0291 -37.0291 -16.0061 -16.0061 -15.5028 -15.5028 -15.4985 -15.4985 -1.9647 -1.9647 -1.9628 -1.9628 -1.1319 -1.1319 -1.1159 -1.1159 -1.1037 -1.1037 5.7891 5.7891 7.2440 7.2440 7.2521 7.2521 7.5622 7.5622 7.6327 7.6327 7.7184 7.7184 7.8278 7.8278 7.9952 7.9952 8.0657 8.0657 8.1825 8.1825 8.2135 8.2135 8.6683 8.6683 12.5805 12.5805 12.6743 12.6743 14.4478 14.4478 14.6128 14.6128 14.6232 14.6232 14.8433 14.8433 16.4314 16.4314 k = 0.5086 0.2638 0.2182 ( 3156 PWs) bands (ev): -37.0291 -37.0291 -16.0061 -16.0061 -15.5028 -15.5028 -15.4985 -15.4985 -1.9648 -1.9648 -1.9629 -1.9629 -1.1319 -1.1319 -1.1159 -1.1159 -1.1038 -1.1038 5.7901 5.7901 7.2447 7.2447 7.2537 7.2537 7.5572 7.5572 7.6343 7.6343 7.7197 7.7197 7.8260 7.8260 7.9965 7.9965 8.0652 8.0652 8.1735 8.1735 8.2306 8.2306 8.6695 8.6695 12.5658 12.5658 12.6623 12.6623 14.4418 14.4418 14.5996 14.5996 14.6194 14.6194 14.8795 14.8795 16.3966 16.3966 k = 0.5129 0.2513 0.2252 ( 3156 PWs) bands (ev): -37.0291 -37.0291 -16.0062 -16.0062 -15.5028 -15.5028 -15.4985 -15.4985 -1.9648 -1.9648 -1.9629 -1.9629 -1.1319 -1.1319 -1.1159 -1.1159 -1.1039 -1.1039 5.7917 5.7917 7.2458 7.2458 7.2565 7.2565 7.5496 7.5496 7.6366 7.6366 7.7215 7.7215 7.8235 7.8235 7.9983 7.9983 8.0649 8.0649 8.1666 8.1666 8.2511 8.2511 8.6716 8.6716 12.5376 12.5376 12.6472 12.6472 14.4312 14.4312 14.5825 14.5825 14.6156 14.6156 14.9319 14.9319 16.3421 16.3421 k = 0.5172 0.2389 0.2323 ( 3148 PWs) bands (ev): -37.0291 -37.0291 -16.0061 -16.0061 -15.5028 -15.5028 -15.4985 -15.4985 -1.9647 -1.9647 -1.9629 -1.9629 -1.1318 -1.1318 -1.1158 -1.1158 -1.1040 -1.1040 5.7940 5.7940 7.2469 7.2469 7.2607 7.2607 7.5399 7.5399 7.6395 7.6395 7.7233 7.7233 7.8211 7.8211 8.0002 8.0002 8.0651 8.0651 8.1620 8.1620 8.2743 8.2743 8.6746 8.6746 12.4935 12.4935 12.6326 12.6326 14.4153 14.4153 14.5662 14.5662 14.6109 14.6109 14.9955 14.9955 16.2721 16.2721 k = 0.5216 0.2265 0.2393 ( 3149 PWs) bands (ev): -37.0290 -37.0290 -16.0062 -16.0062 -15.5028 -15.5028 -15.4986 -15.4986 -1.9647 -1.9647 -1.9629 -1.9629 -1.1319 -1.1319 -1.1157 -1.1157 -1.1041 -1.1041 5.7969 5.7969 7.2479 7.2479 7.2660 7.2660 7.5285 7.5285 7.6424 7.6424 7.7246 7.7246 7.8197 7.8197 8.0014 8.0014 8.0658 8.0658 8.1594 8.1594 8.3002 8.3002 8.6785 8.6785 12.4347 12.4347 12.6190 12.6190 14.3930 14.3930 14.5529 14.5529 14.6051 14.6051 15.0672 15.0672 16.1919 16.1919 k = 0.5259 0.2140 0.2464 ( 3154 PWs) bands (ev): -37.0290 -37.0290 -16.0062 -16.0062 -15.5028 -15.5028 -15.4987 -15.4987 -1.9647 -1.9647 -1.9630 -1.9630 -1.1319 -1.1319 -1.1157 -1.1157 -1.1043 -1.1043 5.8004 5.8004 7.2489 7.2489 7.2723 7.2723 7.5160 7.5160 7.6451 7.6451 7.7252 7.7252 7.8197 7.8197 8.0018 8.0018 8.0676 8.0676 8.1587 8.1587 8.3285 8.3285 8.6833 8.6833 12.3634 12.3634 12.6056 12.6056 14.3638 14.3638 14.5435 14.5435 14.5984 14.5984 15.1442 15.1442 16.1073 16.1073 k = 0.5302 0.2016 0.2534 ( 3148 PWs) bands (ev): -37.0290 -37.0290 -16.0062 -16.0062 -15.5027 -15.5027 -15.4987 -15.4987 -1.9646 -1.9646 -1.9630 -1.9630 -1.1318 -1.1318 -1.1156 -1.1156 -1.1044 -1.1044 5.8045 5.8045 7.2500 7.2500 7.2795 7.2795 7.5028 7.5028 7.6473 7.6473 7.7250 7.7250 7.8218 7.8218 8.0012 8.0012 8.0705 8.0705 8.1599 8.1599 8.3591 8.3591 8.6892 8.6892 12.2823 12.2823 12.5916 12.5916 14.3275 14.3275 14.5380 14.5380 14.5908 14.5908 15.2236 15.2236 16.0236 16.0236 k = 0.5345 0.1891 0.2604 ( 3148 PWs) bands (ev): -37.0290 -37.0290 -16.0062 -16.0062 -15.5027 -15.5027 -15.4988 -15.4988 -1.9646 -1.9646 -1.9631 -1.9631 -1.1318 -1.1318 -1.1155 -1.1155 -1.1046 -1.1046 5.8092 5.8092 7.2509 7.2509 7.2871 7.2871 7.4890 7.4890 7.6483 7.6483 7.7246 7.7246 7.8260 7.8260 7.9998 7.9998 8.0744 8.0744 8.1626 8.1626 8.3918 8.3918 8.6963 8.6963 12.1928 12.1928 12.5765 12.5765 14.2845 14.2845 14.5358 14.5358 14.5827 14.5827 15.3019 15.3019 15.9460 15.9460 k = 0.5388 0.1767 0.2675 ( 3148 PWs) bands (ev): -37.0290 -37.0290 -16.0062 -16.0062 -15.5027 -15.5027 -15.4988 -15.4988 -1.9647 -1.9647 -1.9631 -1.9631 -1.1318 -1.1318 -1.1155 -1.1155 -1.1048 -1.1048 5.8144 5.8144 7.2518 7.2518 7.2948 7.2948 7.4752 7.4752 7.6478 7.6478 7.7245 7.7245 7.8322 7.8322 7.9977 7.9977 8.0793 8.0793 8.1668 8.1668 8.4263 8.4263 8.7048 8.7048 12.0967 12.0967 12.5601 12.5601 14.2353 14.2353 14.5364 14.5364 14.5741 14.5741 15.3732 15.3732 15.8809 15.8809 k = 0.5431 0.1642 0.2745 ( 3152 PWs) bands (ev): -37.0290 -37.0290 -16.0062 -16.0062 -15.5026 -15.5026 -15.4989 -15.4989 -1.9647 -1.9647 -1.9632 -1.9632 -1.1318 -1.1318 -1.1154 -1.1154 -1.1050 -1.1050 5.8202 5.8202 7.2526 7.2526 7.3024 7.3024 7.4615 7.4615 7.6455 7.6455 7.7250 7.7250 7.8400 7.8400 7.9953 7.9953 8.0850 8.0850 8.1724 8.1724 8.4625 8.4625 8.7149 8.7149 11.9950 11.9950 12.5421 12.5421 14.1806 14.1806 14.5390 14.5390 14.5656 14.5656 15.4279 15.4279 15.8378 15.8378 k = 0.5474 0.1518 0.2816 ( 3148 PWs) bands (ev): -37.0290 -37.0290 -16.0062 -16.0062 -15.5026 -15.5026 -15.4990 -15.4990 -1.9647 -1.9647 -1.9633 -1.9633 -1.1318 -1.1318 -1.1153 -1.1153 -1.1052 -1.1052 5.8265 5.8265 7.2532 7.2532 7.3096 7.3096 7.4485 7.4485 7.6416 7.6416 7.7264 7.7264 7.8492 7.8492 7.9929 7.9929 8.0916 8.0916 8.1794 8.1794 8.4999 8.4999 8.7270 8.7270 11.8887 11.8887 12.5226 12.5226 14.1212 14.1212 14.5423 14.5423 14.5580 14.5580 15.4528 15.4528 15.8285 15.8285 k = 0.5517 0.1394 0.2886 ( 3151 PWs) bands (ev): -37.0290 -37.0290 -16.0063 -16.0063 -15.5026 -15.5026 -15.4991 -15.4991 -1.9647 -1.9647 -1.9634 -1.9634 -1.1318 -1.1318 -1.1152 -1.1152 -1.1054 -1.1054 5.8332 5.8332 7.2535 7.2535 7.3157 7.3157 7.4365 7.4365 7.6360 7.6360 7.7285 7.7285 7.8595 7.8595 7.9905 7.9905 8.0989 8.0989 8.1875 8.1875 8.5381 8.5381 8.7414 8.7414 11.7787 11.7787 12.5016 12.5016 14.0580 14.0580 14.5417 14.5417 14.5562 14.5562 15.4434 15.4434 15.7784 15.7784 k = 0.5560 0.1269 0.2956 ( 3149 PWs) bands (ev): -37.0290 -37.0290 -16.0063 -16.0063 -15.5025 -15.5025 -15.4991 -15.4991 -1.9647 -1.9647 -1.9634 -1.9634 -1.1318 -1.1318 -1.1151 -1.1151 -1.1056 -1.1056 5.8403 5.8403 7.2535 7.2535 7.3206 7.3206 7.4258 7.4258 7.6294 7.6294 7.7311 7.7311 7.8706 7.8706 7.9883 7.9883 8.1071 8.1071 8.1967 8.1967 8.5766 8.5766 8.7591 8.7591 11.6657 11.6657 12.4792 12.4792 13.9919 13.9919 14.5351 14.5351 14.5620 14.5620 15.4113 15.4113 15.7079 15.7079 k = 0.5603 0.1145 0.3027 ( 3154 PWs) bands (ev): -37.0290 -37.0290 -16.0063 -16.0063 -15.5025 -15.5025 -15.4992 -15.4992 -1.9648 -1.9648 -1.9635 -1.9635 -1.1319 -1.1319 -1.1151 -1.1151 -1.1059 -1.1059 5.8478 5.8478 7.2530 7.2530 7.3237 7.3237 7.4171 7.4171 7.6221 7.6221 7.7337 7.7337 7.8820 7.8820 7.9864 7.9864 8.1162 8.1162 8.2070 8.2070 8.6145 8.6145 8.7807 8.7807 11.5501 11.5501 12.4553 12.4553 13.9237 13.9237 14.5274 14.5274 14.5705 14.5705 15.3694 15.3694 15.6393 15.6393 k = 0.5647 0.1020 0.3097 ( 3152 PWs) bands (ev): -37.0290 -37.0290 -16.0063 -16.0063 -15.5025 -15.5025 -15.4993 -15.4993 -1.9648 -1.9648 -1.9636 -1.9636 -1.1319 -1.1319 -1.1150 -1.1150 -1.1061 -1.1061 5.8555 5.8555 7.2521 7.2521 7.3247 7.3247 7.4108 7.4108 7.6143 7.6143 7.7364 7.7364 7.8934 7.8934 7.9848 7.9848 8.1263 8.1263 8.2182 8.2182 8.6510 8.6510 8.8073 8.8073 11.4327 11.4327 12.4301 12.4301 13.8543 13.8543 14.5200 14.5200 14.5804 14.5804 15.3247 15.3247 15.5725 15.5725 k = 0.5690 0.0896 0.3167 ( 3153 PWs) bands (ev): -37.0290 -37.0290 -16.0063 -16.0063 -15.5025 -15.5025 -15.4994 -15.4994 -1.9648 -1.9648 -1.9636 -1.9636 -1.1319 -1.1319 -1.1150 -1.1150 -1.1062 -1.1062 5.8635 5.8635 7.2504 7.2504 7.3235 7.3235 7.4068 7.4068 7.6062 7.6062 7.7389 7.7389 7.9045 7.9045 7.9836 7.9836 8.1373 8.1373 8.2302 8.2302 8.6854 8.6854 8.8398 8.8398 11.3140 11.3140 12.4037 12.4037 13.7847 13.7847 14.5133 14.5133 14.5913 14.5913 15.2805 15.2805 15.5078 15.5078 k = 0.5733 0.0771 0.3238 ( 3149 PWs) bands (ev): -37.0290 -37.0290 -16.0064 -16.0064 -15.5024 -15.5024 -15.4995 -15.4995 -1.9648 -1.9648 -1.9636 -1.9636 -1.1320 -1.1320 -1.1149 -1.1149 -1.1063 -1.1063 5.8715 5.8715 7.2481 7.2481 7.3207 7.3207 7.4049 7.4049 7.5981 7.5981 7.7414 7.7414 7.9150 7.9150 7.9828 7.9828 8.1491 8.1491 8.2431 8.2431 8.7176 8.7176 8.8784 8.8784 11.1946 11.1946 12.3761 12.3761 13.7155 13.7155 14.5076 14.5076 14.6030 14.6030 15.2379 15.2379 15.4450 15.4450 k = 0.5776 0.0647 0.3308 ( 3151 PWs) bands (ev): -37.0290 -37.0290 -16.0064 -16.0064 -15.5024 -15.5024 -15.4996 -15.4996 -1.9649 -1.9649 -1.9637 -1.9637 -1.1320 -1.1320 -1.1149 -1.1149 -1.1065 -1.1065 5.8796 5.8796 7.2450 7.2450 7.3168 7.3168 7.4044 7.4044 7.5900 7.5900 7.7437 7.7437 7.9246 7.9246 7.9823 7.9823 8.1616 8.1616 8.2567 8.2567 8.7480 8.7480 8.9226 8.9226 11.0750 11.0750 12.3476 12.3476 13.6475 13.6475 14.5030 14.5030 14.6152 14.6152 15.1977 15.1977 15.3843 15.3843 k = 0.5819 0.0523 0.3379 ( 3156 PWs) bands (ev): -37.0290 -37.0290 -16.0064 -16.0064 -15.5024 -15.5024 -15.4997 -15.4997 -1.9650 -1.9650 -1.9638 -1.9638 -1.1322 -1.1322 -1.1149 -1.1149 -1.1066 -1.1066 5.8876 5.8876 7.2411 7.2411 7.3124 7.3124 7.4048 7.4048 7.5820 7.5820 7.7461 7.7461 7.9330 7.9330 7.9822 7.9822 8.1745 8.1745 8.2707 8.2707 8.7773 8.7773 8.9718 8.9718 10.9559 10.9559 12.3183 12.3183 13.5811 13.5811 14.4997 14.4997 14.6279 14.6279 15.1601 15.1601 15.3255 15.3255 k = 0.5862 0.0398 0.3449 ( 3154 PWs) bands (ev): -37.0290 -37.0290 -16.0064 -16.0064 -15.5024 -15.5024 -15.4997 -15.4997 -1.9650 -1.9650 -1.9638 -1.9638 -1.1322 -1.1322 -1.1149 -1.1149 -1.1066 -1.1066 5.8955 5.8955 7.2365 7.2365 7.3080 7.3080 7.4055 7.4055 7.5743 7.5743 7.7486 7.7486 7.9403 7.9403 7.9826 7.9826 8.1876 8.1876 8.2852 8.2852 8.8065 8.8065 9.0249 9.0249 10.8382 10.8382 12.2885 12.2885 13.5169 13.5169 14.4977 14.4977 14.6408 14.6408 15.1252 15.1252 15.2688 15.2688 k = 0.5905 0.0274 0.3519 ( 3156 PWs) bands (ev): -37.0290 -37.0290 -16.0065 -16.0065 -15.5024 -15.5024 -15.4998 -15.4998 -1.9651 -1.9651 -1.9639 -1.9639 -1.1323 -1.1323 -1.1150 -1.1150 -1.1066 -1.1066 5.9030 5.9030 7.2314 7.2314 7.3038 7.3038 7.4060 7.4060 7.5669 7.5669 7.7513 7.7513 7.9462 7.9462 7.9834 7.9834 8.2005 8.2005 8.2998 8.2998 8.8358 8.8358 9.0813 9.0813 10.7227 10.7227 12.2581 12.2581 13.4552 13.4552 14.4971 14.4971 14.6536 14.6536 15.0932 15.0932 15.2140 15.2140 k = 0.5948 0.0149 0.3590 ( 3156 PWs) bands (ev): -37.0290 -37.0290 -16.0065 -16.0065 -15.5023 -15.5023 -15.4999 -15.4999 -1.9652 -1.9652 -1.9639 -1.9639 -1.1325 -1.1325 -1.1150 -1.1150 -1.1066 -1.1066 5.9102 5.9102 7.2258 7.2258 7.2999 7.2999 7.4062 7.4062 7.5600 7.5600 7.7543 7.7543 7.9506 7.9506 7.9846 7.9846 8.2131 8.2131 8.3146 8.3146 8.8653 8.8653 9.1404 9.1404 10.6106 10.6106 12.2275 12.2275 13.3962 13.3962 14.4980 14.4980 14.6660 14.6660 15.0642 15.0642 15.1613 15.1613 k = 0.5991 0.0025 0.3660 ( 3160 PWs) bands (ev): -37.0290 -37.0290 -16.0065 -16.0065 -15.5023 -15.5023 -15.4999 -15.4999 -1.9653 -1.9653 -1.9639 -1.9639 -1.1326 -1.1326 -1.1151 -1.1151 -1.1066 -1.1066 5.9168 5.9168 7.2200 7.2200 7.2960 7.2960 7.4061 7.4061 7.5536 7.5536 7.7577 7.7577 7.9535 7.9535 7.9864 7.9864 8.2251 8.2251 8.3294 8.3294 8.8945 8.8945 9.2014 9.2014 10.5031 10.5031 12.1968 12.1968 13.3401 13.3401 14.5004 14.5004 14.6776 14.6776 15.0387 15.0387 15.1105 15.1105 k = 0.6034-0.0100 0.3731 ( 3162 PWs) bands (ev): -37.0290 -37.0290 -16.0065 -16.0065 -15.5023 -15.5023 -15.5000 -15.5000 -1.9654 -1.9654 -1.9639 -1.9639 -1.1327 -1.1327 -1.1153 -1.1153 -1.1065 -1.1065 5.9228 5.9228 7.2139 7.2139 7.2922 7.2922 7.4056 7.4056 7.5480 7.5480 7.7615 7.7615 7.9551 7.9551 7.9885 7.9885 8.2364 8.2364 8.3442 8.3442 8.9228 8.9228 9.2638 9.2638 10.4023 10.4023 12.1662 12.1662 13.2870 13.2870 14.5044 14.5044 14.6878 14.6878 15.0169 15.0169 15.0619 15.0619 k = 0.6078-0.0224 0.3801 ( 3165 PWs) bands (ev): -37.0290 -37.0290 -16.0065 -16.0065 -15.5024 -15.5024 -15.5000 -15.5000 -1.9656 -1.9656 -1.9639 -1.9639 -1.1329 -1.1329 -1.1154 -1.1154 -1.1065 -1.1065 5.9281 5.9281 7.2075 7.2075 7.2885 7.2885 7.4045 7.4045 7.5434 7.5434 7.7656 7.7656 7.9555 7.9555 7.9908 7.9908 8.2468 8.2468 8.3591 8.3591 8.9486 8.9486 9.3268 9.3268 10.3103 10.3103 12.1360 12.1360 13.2370 13.2370 14.5098 14.5098 14.6961 14.6961 14.9994 14.9994 15.0157 15.0157 k = 0.6121-0.0348 0.3871 ( 3169 PWs) bands (ev): -37.0290 -37.0290 -16.0066 -16.0066 -15.5024 -15.5024 -15.5000 -15.5000 -1.9657 -1.9657 -1.9639 -1.9639 -1.1330 -1.1330 -1.1155 -1.1155 -1.1064 -1.1064 5.9325 5.9325 7.2006 7.2006 7.2850 7.2850 7.4029 7.4029 7.5399 7.5399 7.7701 7.7701 7.9550 7.9550 7.9929 7.9929 8.2563 8.2563 8.3740 8.3740 8.9703 8.9703 9.3894 9.3894 10.2303 10.2303 12.1062 12.1062 13.1901 13.1901 14.5166 14.5166 14.7019 14.7019 14.9705 14.9705 14.9880 14.9880 k = 0.6164-0.0473 0.3942 ( 3172 PWs) bands (ev): -37.0290 -37.0290 -16.0066 -16.0066 -15.5024 -15.5024 -15.5001 -15.5001 -1.9659 -1.9659 -1.9640 -1.9640 -1.1332 -1.1332 -1.1157 -1.1157 -1.1063 -1.1063 5.9359 5.9359 7.1928 7.1928 7.2818 7.2818 7.4009 7.4009 7.5376 7.5376 7.7751 7.7751 7.9536 7.9536 7.9946 7.9946 8.2648 8.2648 8.3890 8.3890 8.9853 8.9853 9.4504 9.4504 10.1661 10.1661 12.0771 12.0771 13.1461 13.1461 14.5247 14.5247 14.7046 14.7046 14.9289 14.9289 14.9811 14.9811 k = 0.6207-0.0597 0.4012 ( 3170 PWs) bands (ev): -37.0290 -37.0290 -16.0066 -16.0066 -15.5024 -15.5024 -15.5000 -15.5000 -1.9660 -1.9660 -1.9639 -1.9639 -1.1333 -1.1333 -1.1158 -1.1158 -1.1062 -1.1062 5.9383 5.9383 7.1837 7.1837 7.2793 7.2793 7.3984 7.3984 7.5367 7.5367 7.7803 7.7803 7.9518 7.9518 7.9958 7.9958 8.2723 8.2723 8.4042 8.4042 8.9911 8.9911 9.5086 9.5086 10.1219 10.1219 12.0489 12.0489 13.1051 13.1051 14.5339 14.5339 14.7042 14.7042 14.8897 14.8897 14.9801 14.9801 k = 0.6250-0.0722 0.4082 ( 3180 PWs) bands (ev): -37.0290 -37.0290 -16.0066 -16.0066 -15.5025 -15.5025 -15.5001 -15.5001 -1.9662 -1.9662 -1.9640 -1.9640 -1.1336 -1.1336 -1.1160 -1.1160 -1.1062 -1.1062 5.9394 5.9394 7.1729 7.1729 7.2776 7.2776 7.3954 7.3954 7.5372 7.5372 7.7857 7.7857 7.9492 7.9492 7.9962 7.9962 8.2788 8.2788 8.4195 8.4195 8.9847 8.9847 9.5632 9.5632 10.1012 10.1012 12.0217 12.0217 13.0668 13.0668 14.5438 14.5438 14.7008 14.7008 14.8535 14.8535 14.9846 14.9846 k = 0.6250-0.0722 0.4082 ( 3180 PWs) bands (ev): -37.0290 -37.0290 -16.0066 -16.0066 -15.5025 -15.5025 -15.5001 -15.5001 -1.9662 -1.9662 -1.9640 -1.9640 -1.1336 -1.1336 -1.1160 -1.1160 -1.1062 -1.1062 5.9394 5.9394 7.1729 7.1729 7.2776 7.2776 7.3954 7.3954 7.5372 7.5372 7.7857 7.7857 7.9492 7.9492 7.9962 7.9962 8.2788 8.2788 8.4195 8.4195 8.9847 8.9847 9.5632 9.5632 10.1012 10.1012 12.0217 12.0217 13.0668 13.0668 14.5438 14.5438 14.7008 14.7008 14.8535 14.8535 14.9846 14.9846 k = 0.6176-0.0679 0.4203 ( 3172 PWs) bands (ev): -37.0290 -37.0290 -16.0066 -16.0066 -15.5025 -15.5025 -15.5000 -15.5000 -1.9661 -1.9661 -1.9640 -1.9640 -1.1335 -1.1335 -1.1159 -1.1159 -1.1061 -1.1061 5.9397 5.9397 7.1722 7.1722 7.2783 7.2783 7.3948 7.3948 7.5378 7.5378 7.7861 7.7861 7.9500 7.9500 7.9963 7.9963 8.2789 8.2789 8.4177 8.4177 8.9859 8.9859 9.5664 9.5664 10.1016 10.1016 12.0046 12.0046 13.0802 13.0802 14.5413 14.5413 14.7016 14.7016 14.8454 14.8454 14.9908 14.9908 k = 0.6103-0.0637 0.4323 ( 3175 PWs) bands (ev): -37.0290 -37.0290 -16.0066 -16.0066 -15.5025 -15.5025 -15.5001 -15.5001 -1.9661 -1.9661 -1.9640 -1.9640 -1.1335 -1.1335 -1.1159 -1.1159 -1.1062 -1.1062 5.9404 5.9404 7.1701 7.1701 7.2802 7.2802 7.3927 7.3927 7.5397 7.5397 7.7868 7.7868 7.9520 7.9520 7.9964 7.9964 8.2790 8.2790 8.4122 8.4122 8.9893 8.9893 9.5759 9.5759 10.1028 10.1028 11.9557 11.9557 13.1179 13.1179 14.5338 14.5338 14.7038 14.7038 14.8250 14.8250 15.0054 15.0054 k = 0.6029-0.0594 0.4443 ( 3169 PWs) bands (ev): -37.0290 -37.0290 -16.0066 -16.0066 -15.5024 -15.5024 -15.5000 -15.5000 -1.9660 -1.9660 -1.9640 -1.9640 -1.1334 -1.1334 -1.1158 -1.1158 -1.1062 -1.1062 5.9418 5.9418 7.1669 7.1669 7.2831 7.2831 7.3892 7.3892 7.5431 7.5431 7.7879 7.7879 7.9552 7.9552 7.9966 7.9966 8.2792 8.2792 8.4034 8.4034 8.9950 8.9950 9.5915 9.5915 10.1048 10.1048 11.8813 11.8813 13.1738 13.1738 14.5220 14.5220 14.7069 14.7069 14.7982 14.7982 15.0229 15.0229 k = 0.5956-0.0552 0.4563 ( 3165 PWs) bands (ev): -37.0290 -37.0290 -16.0066 -16.0066 -15.5024 -15.5024 -15.5001 -15.5001 -1.9659 -1.9659 -1.9639 -1.9639 -1.1334 -1.1334 -1.1156 -1.1156 -1.1062 -1.1062 5.9436 5.9436 7.1630 7.1630 7.2864 7.2864 7.3844 7.3844 7.5482 7.5482 7.7892 7.7892 7.9594 7.9594 7.9967 7.9967 8.2794 8.2794 8.3917 8.3917 9.0029 9.0029 9.6129 9.6129 10.1076 10.1076 11.7881 11.7881 13.2415 13.2415 14.5062 14.5062 14.7102 14.7102 14.7688 14.7688 15.0400 15.0400 k = 0.5882-0.0509 0.4683 ( 3165 PWs) bands (ev): -37.0290 -37.0290 -16.0066 -16.0066 -15.5024 -15.5024 -15.5001 -15.5001 -1.9659 -1.9659 -1.9640 -1.9640 -1.1334 -1.1334 -1.1155 -1.1155 -1.1064 -1.1064 5.9458 5.9458 7.1586 7.1586 7.2899 7.2899 7.3783 7.3783 7.5553 7.5553 7.7905 7.7905 7.9645 7.9645 7.9969 7.9969 8.2793 8.2793 8.3778 8.3778 9.0130 9.0130 9.6398 9.6398 10.1113 10.1113 11.6816 11.6816 13.3158 13.3158 14.4872 14.4872 14.7130 14.7130 14.7394 14.7394 15.0550 15.0550 k = 0.5809-0.0467 0.4803 ( 3159 PWs) bands (ev): -37.0290 -37.0290 -16.0066 -16.0066 -15.5024 -15.5024 -15.5001 -15.5001 -1.9658 -1.9658 -1.9639 -1.9639 -1.1333 -1.1333 -1.1153 -1.1153 -1.1064 -1.1064 5.9484 5.9484 7.1542 7.1542 7.2933 7.2933 7.3712 7.3712 7.5646 7.5646 7.7915 7.7915 7.9701 7.9701 7.9971 7.9971 8.2787 8.2787 8.3624 8.3624 9.0252 9.0252 9.6717 9.6717 10.1158 10.1158 11.5661 11.5661 13.3931 13.3931 14.4653 14.4653 14.7050 14.7050 14.7209 14.7209 15.0675 15.0675 k = 0.5735-0.0425 0.4923 ( 3159 PWs) bands (ev): -37.0290 -37.0290 -16.0066 -16.0066 -15.5023 -15.5023 -15.5001 -15.5001 -1.9657 -1.9657 -1.9640 -1.9640 -1.1333 -1.1333 -1.1151 -1.1151 -1.1066 -1.1066 5.9513 5.9513 7.1498 7.1498 7.2963 7.2963 7.3634 7.3634 7.5758 7.5758 7.7922 7.7922 7.9759 7.9759 7.9973 7.9973 8.2771 8.2771 8.3465 8.3465 9.0394 9.0394 9.7083 9.7083 10.1212 10.1212 11.4444 11.4444 13.4709 13.4709 14.4409 14.4409 14.6786 14.6786 14.7216 14.7216 15.0773 15.0773 k = 0.5662-0.0382 0.5043 ( 3157 PWs) bands (ev): -37.0290 -37.0290 -16.0066 -16.0066 -15.5023 -15.5023 -15.5002 -15.5002 -1.9656 -1.9656 -1.9640 -1.9640 -1.1333 -1.1333 -1.1149 -1.1149 -1.1067 -1.1067 5.9544 5.9544 7.1458 7.1458 7.2988 7.2988 7.3554 7.3554 7.5890 7.5890 7.7922 7.7922 7.9817 7.9817 7.9974 7.9974 8.2733 8.2733 8.3318 8.3318 9.0554 9.0554 9.7491 9.7491 10.1274 10.1274 11.3189 11.3189 13.5475 13.5475 14.4142 14.4142 14.6523 14.6523 14.7234 14.7234 15.0846 15.0846 k = 0.5588-0.0340 0.5163 ( 3156 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5023 -15.5023 -15.5002 -15.5002 -1.9655 -1.9655 -1.9641 -1.9641 -1.1333 -1.1333 -1.1147 -1.1147 -1.1069 -1.1069 5.9576 5.9576 7.1422 7.1422 7.3007 7.3007 7.3474 7.3474 7.6038 7.6038 7.7916 7.7916 7.9870 7.9870 7.9977 7.9977 8.2662 8.2662 8.3202 8.3202 9.0729 9.0729 9.7938 9.7938 10.1347 10.1347 11.1913 11.1913 13.6220 13.6220 14.3854 14.3854 14.6281 14.6281 14.7247 14.7247 15.0896 15.0896 k = 0.5515-0.0297 0.5283 ( 3152 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5022 -15.5022 -15.5003 -15.5003 -1.9655 -1.9655 -1.9640 -1.9640 -1.1332 -1.1332 -1.1144 -1.1144 -1.1071 -1.1071 5.9609 5.9609 7.1391 7.1391 7.3019 7.3019 7.3400 7.3400 7.6199 7.6199 7.7902 7.7902 7.9910 7.9910 7.9986 7.9986 8.2551 8.2551 8.3127 8.3127 9.0918 9.0918 9.8420 9.8420 10.1429 10.1429 11.0631 11.0631 13.6937 13.6937 14.3546 14.3546 14.6064 14.6064 14.7255 14.7255 15.0925 15.0925 k = 0.5441-0.0255 0.5403 ( 3150 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5022 -15.5022 -15.5003 -15.5003 -1.9653 -1.9653 -1.9641 -1.9641 -1.1332 -1.1332 -1.1142 -1.1142 -1.1072 -1.1072 5.9641 5.9641 7.1365 7.1365 7.3025 7.3025 7.3333 7.3333 7.6370 7.6370 7.7879 7.7879 7.9927 7.9927 8.0009 8.0009 8.2415 8.2415 8.3086 8.3086 9.1115 9.1115 9.8935 9.8935 10.1523 10.1523 10.9355 10.9355 13.7621 13.7621 14.3221 14.3221 14.5874 14.5874 14.7258 14.7258 15.0939 15.0939 k = 0.5368-0.0212 0.5523 ( 3153 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5022 -15.5022 -15.5003 -15.5003 -1.9653 -1.9653 -1.9642 -1.9642 -1.1332 -1.1332 -1.1141 -1.1141 -1.1073 -1.1073 5.9671 5.9671 7.1345 7.1345 7.3024 7.3024 7.3277 7.3277 7.6545 7.6545 7.7844 7.7844 7.9926 7.9926 8.0040 8.0040 8.2274 8.2274 8.3065 8.3065 9.1314 9.1314 9.9478 9.9478 10.1627 10.1627 10.8100 10.8100 13.8268 13.8268 14.2878 14.2878 14.5713 14.5713 14.7256 14.7256 15.0940 15.0940 k = 0.5294-0.0170 0.5643 ( 3152 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5021 -15.5021 -15.5004 -15.5004 -1.9652 -1.9652 -1.9643 -1.9643 -1.1332 -1.1332 -1.1139 -1.1139 -1.1075 -1.1075 5.9698 5.9698 7.1331 7.1331 7.3017 7.3017 7.3234 7.3234 7.6721 7.6721 7.7797 7.7797 7.9917 7.9917 8.0069 8.0069 8.2143 8.2143 8.3055 8.3055 9.1509 9.1509 10.0047 10.0047 10.1743 10.1743 10.6879 10.6879 13.8877 13.8877 14.2518 14.2518 14.5582 14.5582 14.7251 14.7251 15.0932 15.0932 k = 0.5221-0.0127 0.5764 ( 3156 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5021 -15.5021 -15.5004 -15.5004 -1.9651 -1.9651 -1.9644 -1.9644 -1.1332 -1.1332 -1.1138 -1.1138 -1.1077 -1.1077 5.9721 5.9721 7.1321 7.1321 7.3008 7.3008 7.3202 7.3202 7.6891 7.6891 7.7735 7.7735 7.9906 7.9906 8.0092 8.0092 8.2033 8.2033 8.3049 8.3049 9.1689 9.1689 10.0635 10.0635 10.1873 10.1873 10.5710 10.5710 13.9447 13.9447 14.2144 14.2144 14.5482 14.5482 14.7243 14.7243 15.0918 15.0918 k = 0.5147-0.0085 0.5884 ( 3154 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5021 -15.5021 -15.5004 -15.5004 -1.9650 -1.9650 -1.9644 -1.9644 -1.1331 -1.1331 -1.1137 -1.1137 -1.1078 -1.1078 5.9739 5.9739 7.1316 7.1316 7.2999 7.2999 7.3181 7.3181 7.7050 7.7050 7.7660 7.7660 7.9895 7.9895 8.0108 8.0108 8.1951 8.1951 8.3046 8.3046 9.1842 9.1842 10.1233 10.1233 10.2020 10.2020 10.4617 10.4617 13.9974 13.9974 14.1755 14.1755 14.5412 14.5412 14.7236 14.7236 15.0904 15.0904 k = 0.5074-0.0042 0.6004 ( 3156 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5021 -15.5021 -15.5005 -15.5005 -1.9650 -1.9650 -1.9644 -1.9644 -1.1331 -1.1331 -1.1137 -1.1137 -1.1078 -1.1078 5.9750 5.9750 7.1314 7.1314 7.2993 7.2993 7.3168 7.3168 7.7183 7.7183 7.7580 7.7580 7.9887 7.9887 8.0118 8.0118 8.1900 8.1900 8.3044 8.3044 9.1949 9.1949 10.1800 10.1800 10.2188 10.2188 10.3655 10.3655 14.0455 14.0455 14.1356 14.1356 14.5372 14.5372 14.7230 14.7230 15.0892 15.0892 k = 0.5000 0.0000 0.6124 ( 3156 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5021 -15.5021 -15.5005 -15.5005 -1.9650 -1.9650 -1.9645 -1.9645 -1.1331 -1.1331 -1.1136 -1.1136 -1.1078 -1.1078 5.9754 5.9754 7.1314 7.1314 7.2991 7.2991 7.3163 7.3163 7.7246 7.7246 7.7535 7.7535 7.9884 7.9884 8.0121 8.0121 8.1882 8.1882 8.3043 8.3043 9.1990 9.1990 10.2166 10.2166 10.2260 10.2260 10.3135 10.3135 14.0801 14.0801 14.1037 14.1037 14.5360 14.5360 14.7228 14.7228 15.0888 15.0888 k = 0.5000 0.0000 0.6124 ( 3156 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5021 -15.5021 -15.5005 -15.5005 -1.9650 -1.9650 -1.9645 -1.9645 -1.1331 -1.1331 -1.1136 -1.1136 -1.1078 -1.1078 5.9754 5.9754 7.1314 7.1314 7.2991 7.2991 7.3163 7.3163 7.7246 7.7246 7.7535 7.7535 7.9884 7.9884 8.0121 8.0121 8.1882 8.1882 8.3043 8.3043 9.1990 9.1990 10.2166 10.2166 10.2260 10.2260 10.3135 10.3135 14.0801 14.0801 14.1037 14.1037 14.5360 14.5360 14.7228 14.7228 15.0888 15.0888 k = 0.5000 0.0085 0.6004 ( 3156 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5021 -15.5021 -15.5005 -15.5005 -1.9650 -1.9650 -1.9645 -1.9645 -1.1331 -1.1331 -1.1136 -1.1136 -1.1078 -1.1078 5.9749 5.9749 7.1319 7.1319 7.2993 7.2993 7.3166 7.3166 7.7233 7.7233 7.7545 7.7545 7.9882 7.9882 8.0117 8.0117 8.1879 8.1879 8.3040 8.3040 9.1953 9.1953 10.1443 10.1443 10.2368 10.2368 10.3832 10.3832 14.0794 14.0794 14.1031 14.1031 14.5389 14.5389 14.7235 14.7235 15.0897 15.0897 k = 0.5000 0.0170 0.5884 ( 3154 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5021 -15.5021 -15.5005 -15.5005 -1.9650 -1.9650 -1.9644 -1.9644 -1.1331 -1.1331 -1.1136 -1.1136 -1.1078 -1.1078 5.9734 5.9734 7.1334 7.1334 7.3000 7.3000 7.3174 7.3174 7.7200 7.7200 7.7571 7.7571 7.9874 7.9874 8.0108 8.0108 8.1868 8.1868 8.3030 8.3030 9.1845 9.1845 10.0444 10.0444 10.2555 10.2555 10.4892 10.4892 14.0761 14.0761 14.1028 14.1028 14.5473 14.5473 14.7258 14.7258 15.0924 15.0924 k = 0.5000 0.0255 0.5764 ( 3156 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5021 -15.5021 -15.5004 -15.5004 -1.9650 -1.9650 -1.9645 -1.9645 -1.1331 -1.1331 -1.1137 -1.1137 -1.1078 -1.1078 5.9709 5.9709 7.1360 7.1360 7.3011 7.3011 7.3188 7.3188 7.7154 7.7154 7.7605 7.7605 7.9861 7.9861 8.0093 8.0093 8.1849 8.1849 8.3014 8.3014 9.1673 9.1673 9.9435 9.9435 10.2852 10.2852 10.6002 10.6002 14.0683 14.0683 14.1054 14.1054 14.5601 14.5601 14.7300 14.7300 15.0970 15.0970 k = 0.5000 0.0340 0.5643 ( 3158 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5021 -15.5021 -15.5004 -15.5004 -1.9650 -1.9650 -1.9644 -1.9644 -1.1331 -1.1331 -1.1137 -1.1137 -1.1078 -1.1078 5.9675 5.9675 7.1395 7.1395 7.3026 7.3026 7.3207 7.3207 7.7099 7.7099 7.7643 7.7643 7.9842 7.9842 8.0072 8.0072 8.1824 8.1824 8.2991 8.2991 9.1448 9.1448 9.8445 9.8445 10.3250 10.3250 10.7135 10.7135 14.0564 14.0564 14.1114 14.1114 14.5754 14.5754 14.7371 14.7371 15.1035 15.1035 k = 0.5000 0.0425 0.5523 ( 3160 PWs) bands (ev): -37.0290 -37.0290 -16.0066 -16.0066 -15.5021 -15.5021 -15.5004 -15.5004 -1.9650 -1.9650 -1.9645 -1.9645 -1.1330 -1.1330 -1.1137 -1.1137 -1.1078 -1.1078 5.9631 5.9631 7.1439 7.1439 7.3045 7.3045 7.3231 7.3231 7.7039 7.7039 7.7681 7.7681 7.9817 7.9817 8.0047 8.0047 8.1793 8.1793 8.2962 8.2962 9.1184 9.1184 9.7478 9.7478 10.3739 10.3739 10.8282 10.8282 14.0420 14.0420 14.1202 14.1202 14.5913 14.5913 14.7481 14.7481 15.1119 15.1119 k = 0.5000 0.0509 0.5403 ( 3158 PWs) bands (ev): -37.0290 -37.0290 -16.0066 -16.0066 -15.5021 -15.5021 -15.5003 -15.5003 -1.9649 -1.9649 -1.9644 -1.9644 -1.1330 -1.1330 -1.1138 -1.1138 -1.1078 -1.1078 5.9580 5.9580 7.1492 7.1492 7.3066 7.3066 7.3262 7.3262 7.6976 7.6976 7.7718 7.7718 7.9785 7.9785 8.0018 8.0018 8.1757 8.1757 8.2927 8.2927 9.0892 9.0892 9.6539 9.6539 10.4305 10.4305 10.9438 10.9438 14.0265 14.0265 14.1313 14.1313 14.6057 14.6057 14.7643 14.7643 15.1223 15.1223 k = 0.5000 0.0594 0.5283 ( 3154 PWs) bands (ev): -37.0290 -37.0290 -16.0065 -16.0065 -15.5021 -15.5021 -15.5003 -15.5003 -1.9649 -1.9649 -1.9643 -1.9643 -1.1328 -1.1328 -1.1137 -1.1137 -1.1077 -1.1077 5.9521 5.9521 7.1553 7.1553 7.3090 7.3090 7.3298 7.3298 7.6910 7.6910 7.7752 7.7752 7.9744 7.9744 7.9989 7.9989 8.1716 8.1716 8.2885 8.2885 9.0582 9.0582 9.5629 9.5629 10.4937 10.4937 11.0598 11.0598 14.0109 14.0109 14.1444 14.1444 14.6171 14.6171 14.7866 14.7866 15.1348 15.1348 k = 0.5000 0.0679 0.5163 ( 3152 PWs) bands (ev): -37.0290 -37.0290 -16.0065 -16.0065 -15.5022 -15.5022 -15.5002 -15.5002 -1.9648 -1.9648 -1.9643 -1.9643 -1.1327 -1.1327 -1.1138 -1.1138 -1.1076 -1.1076 5.9456 5.9456 7.1621 7.1621 7.3115 7.3115 7.3339 7.3339 7.6843 7.6843 7.7782 7.7782 7.9694 7.9694 7.9959 7.9959 8.1671 8.1671 8.2836 8.2836 9.0264 9.0264 9.4750 9.4750 10.5627 10.5627 11.1757 11.1757 13.9962 13.9962 14.1592 14.1592 14.6250 14.6250 14.8148 14.8148 15.1494 15.1494 k = 0.5000 0.0764 0.5043 ( 3154 PWs) bands (ev): -37.0290 -37.0290 -16.0065 -16.0065 -15.5022 -15.5022 -15.5001 -15.5001 -1.9648 -1.9648 -1.9643 -1.9643 -1.1327 -1.1327 -1.1139 -1.1139 -1.1076 -1.1076 5.9384 5.9384 7.1694 7.1694 7.3143 7.3143 7.3384 7.3384 7.6774 7.6774 7.7808 7.7808 7.9633 7.9633 7.9929 7.9929 8.1622 8.1622 8.2781 8.2781 8.9944 8.9944 9.3903 9.3903 10.6367 10.6367 11.2910 11.2910 13.9829 13.9829 14.1756 14.1756 14.6299 14.6299 14.8482 14.8482 15.1663 15.1663 k = 0.5000 0.0849 0.4923 ( 3158 PWs) bands (ev): -37.0290 -37.0290 -16.0065 -16.0065 -15.5022 -15.5022 -15.5001 -15.5001 -1.9648 -1.9648 -1.9643 -1.9643 -1.1326 -1.1326 -1.1140 -1.1140 -1.1075 -1.1075 5.9307 5.9307 7.1771 7.1771 7.3172 7.3172 7.3431 7.3431 7.6706 7.6706 7.7827 7.7827 7.9564 7.9564 7.9902 7.9902 8.1571 8.1571 8.2719 8.2719 8.9627 8.9627 9.3090 9.3090 10.7149 10.7149 11.4051 11.4051 13.9717 13.9717 14.1933 14.1933 14.6324 14.6324 14.8860 14.8860 15.1854 15.1854 k = 0.5000 0.0934 0.4803 ( 3158 PWs) bands (ev): -37.0290 -37.0290 -16.0065 -16.0065 -15.5023 -15.5023 -15.5000 -15.5000 -1.9648 -1.9648 -1.9642 -1.9642 -1.1325 -1.1325 -1.1141 -1.1141 -1.1074 -1.1074 5.9227 5.9227 7.1852 7.1852 7.3204 7.3204 7.3482 7.3482 7.6639 7.6639 7.7839 7.7839 7.9485 7.9485 7.9878 7.9878 8.1518 8.1518 8.2652 8.2652 8.9317 8.9317 9.2311 9.2311 10.7970 10.7970 11.5174 11.5174 13.9633 13.9633 14.2120 14.2120 14.6331 14.6331 14.9273 14.9273 15.2069 15.2069 k = 0.5000 0.1019 0.4683 ( 3150 PWs) bands (ev): -37.0290 -37.0290 -16.0065 -16.0065 -15.5023 -15.5023 -15.4999 -15.4999 -1.9648 -1.9648 -1.9641 -1.9641 -1.1324 -1.1324 -1.1141 -1.1141 -1.1073 -1.1073 5.9144 5.9144 7.1935 7.1935 7.3238 7.3238 7.3534 7.3534 7.6576 7.6576 7.7845 7.7845 7.9399 7.9399 7.9857 7.9857 8.1465 8.1465 8.2580 8.2580 8.9017 8.9017 9.1569 9.1569 10.8824 10.8824 11.6273 11.6273 13.9581 13.9581 14.2317 14.2317 14.6326 14.6326 14.9717 14.9717 15.2308 15.2308 k = 0.5000 0.1104 0.4563 ( 3150 PWs) bands (ev): -37.0290 -37.0290 -16.0064 -16.0064 -15.5023 -15.5023 -15.4999 -15.4999 -1.9647 -1.9647 -1.9640 -1.9640 -1.1323 -1.1323 -1.1142 -1.1142 -1.1071 -1.1071 5.9058 5.9058 7.2016 7.2016 7.3272 7.3272 7.3586 7.3586 7.6516 7.6516 7.7841 7.7841 7.9307 7.9307 7.9840 7.9840 8.1411 8.1411 8.2503 8.2503 8.8726 8.8726 9.0865 9.0865 10.9708 10.9708 11.7340 11.7340 13.9566 13.9566 14.2520 14.2520 14.6312 14.6312 15.0187 15.0187 15.2571 15.2571 k = 0.5000 0.1189 0.4443 ( 3146 PWs) bands (ev): -37.0290 -37.0290 -16.0064 -16.0064 -15.5023 -15.5023 -15.4998 -15.4998 -1.9647 -1.9647 -1.9639 -1.9639 -1.1321 -1.1321 -1.1143 -1.1143 -1.1070 -1.1070 5.8972 5.8972 7.2096 7.2096 7.3305 7.3305 7.3640 7.3640 7.6464 7.6464 7.7829 7.7829 7.9211 7.9211 7.9827 7.9827 8.1357 8.1357 8.2423 8.2423 8.8442 8.8442 9.0203 9.0203 11.0617 11.0617 11.8366 11.8366 13.9595 13.9595 14.2727 14.2727 14.6292 14.6292 15.0681 15.0681 15.2858 15.2858 k = 0.5000 0.1274 0.4323 ( 3150 PWs) bands (ev): -37.0290 -37.0290 -16.0064 -16.0064 -15.5023 -15.5023 -15.4997 -15.4997 -1.9647 -1.9647 -1.9639 -1.9639 -1.1321 -1.1321 -1.1145 -1.1145 -1.1068 -1.1068 5.8884 5.8884 7.2170 7.2170 7.3335 7.3335 7.3696 7.3696 7.6419 7.6419 7.7806 7.7806 7.9112 7.9112 7.9818 7.9818 8.1302 8.1302 8.2340 8.2340 8.8159 8.8159 8.9589 8.9589 11.1549 11.1549 11.9345 11.9345 13.9670 13.9670 14.2936 14.2936 14.6268 14.6268 15.1201 15.1201 15.3167 15.3167 k = 0.5000 0.1358 0.4203 ( 3152 PWs) bands (ev): -37.0290 -37.0290 -16.0064 -16.0064 -15.5024 -15.5024 -15.4996 -15.4996 -1.9647 -1.9647 -1.9638 -1.9638 -1.1321 -1.1321 -1.1146 -1.1146 -1.1067 -1.1067 5.8797 5.8797 7.2239 7.2239 7.3358 7.3358 7.3757 7.3757 7.6385 7.6385 7.7773 7.7773 7.9012 7.9012 7.9815 7.9815 8.1248 8.1248 8.2255 8.2255 8.7864 8.7864 8.9036 8.9036 11.2500 11.2500 12.0268 12.0268 13.9795 13.9795 14.3145 14.3145 14.6241 14.6241 15.1746 15.1746 15.3495 15.3495 k = 0.5000 0.1443 0.4082 ( 3152 PWs) bands (ev): -37.0290 -37.0290 -16.0064 -16.0064 -15.5024 -15.5024 -15.4995 -15.4995 -1.9647 -1.9647 -1.9637 -1.9637 -1.1320 -1.1320 -1.1147 -1.1147 -1.1065 -1.1065 5.8711 5.8711 7.2300 7.2300 7.3369 7.3369 7.3827 7.3827 7.6362 7.6362 7.7730 7.7730 7.8913 7.8913 7.9817 7.9817 8.1194 8.1194 8.2171 8.2171 8.7537 8.7537 8.8564 8.8564 11.3466 11.3466 12.1127 12.1127 13.9972 13.9972 14.3351 14.3351 14.6212 14.6212 15.2318 15.2318 15.3835 15.3835 k = 0.5000 0.1528 0.3962 ( 3148 PWs) bands (ev): -37.0290 -37.0290 -16.0063 -16.0063 -15.5024 -15.5024 -15.4994 -15.4994 -1.9647 -1.9647 -1.9636 -1.9636 -1.1319 -1.1319 -1.1148 -1.1148 -1.1063 -1.1063 5.8628 5.8628 7.2353 7.2353 7.3366 7.3366 7.3909 7.3909 7.6352 7.6352 7.7679 7.7679 7.8816 7.8816 7.9824 7.9824 8.1140 8.1140 8.2088 8.2088 8.7161 8.7161 8.8188 8.8188 11.4446 11.4446 12.1917 12.1917 14.0201 14.0201 14.3554 14.3554 14.6183 14.6183 15.2920 15.2920 15.4177 15.4177 k = 0.5000 0.1613 0.3842 ( 3152 PWs) bands (ev): -37.0290 -37.0290 -16.0063 -16.0063 -15.5025 -15.5025 -15.4993 -15.4993 -1.9647 -1.9647 -1.9636 -1.9636 -1.1319 -1.1319 -1.1149 -1.1149 -1.1061 -1.1061 5.8546 5.8546 7.2397 7.2397 7.3344 7.3344 7.4003 7.4003 7.6353 7.6353 7.7620 7.7620 7.8722 7.8722 7.9836 7.9836 8.1086 8.1086 8.2007 8.2007 8.6742 8.6742 8.7903 8.7903 11.5433 11.5433 12.2633 12.2633 14.0480 14.0480 14.3752 14.3752 14.6155 14.6155 15.3552 15.3552 15.4504 15.4504 k = 0.5000 0.1698 0.3722 ( 3148 PWs) bands (ev): -37.0290 -37.0290 -16.0063 -16.0063 -15.5025 -15.5025 -15.4992 -15.4992 -1.9646 -1.9646 -1.9635 -1.9635 -1.1318 -1.1318 -1.1150 -1.1150 -1.1059 -1.1059 5.8468 5.8468 7.2432 7.2432 7.3307 7.3307 7.4110 7.4110 7.6367 7.6367 7.7558 7.7558 7.8633 7.8633 7.9854 7.9854 8.1033 8.1033 8.1930 8.1930 8.6301 8.6301 8.7682 8.7682 11.6425 11.6425 12.3272 12.3272 14.0804 14.0804 14.3944 14.3944 14.6128 14.6128 15.4211 15.4211 15.4793 15.4793 k = 0.5000 0.1783 0.3602 ( 3148 PWs) bands (ev): -37.0290 -37.0290 -16.0063 -16.0063 -15.5026 -15.5026 -15.4991 -15.4991 -1.9646 -1.9646 -1.9634 -1.9634 -1.1318 -1.1318 -1.1151 -1.1151 -1.1057 -1.1057 5.8393 5.8393 7.2459 7.2459 7.3254 7.3254 7.4228 7.4228 7.6389 7.6389 7.7494 7.7494 7.8549 7.8549 7.9875 7.9875 8.0980 8.0980 8.1857 8.1857 8.5859 8.5859 8.7504 8.7504 11.7417 11.7417 12.3835 12.3835 14.1164 14.1164 14.4129 14.4129 14.6104 14.6104 15.4806 15.4806 15.5087 15.5087 k = 0.5000 0.1868 0.3482 ( 3146 PWs) bands (ev): -37.0290 -37.0290 -16.0062 -16.0062 -15.5026 -15.5026 -15.4990 -15.4990 -1.9646 -1.9646 -1.9633 -1.9633 -1.1318 -1.1318 -1.1152 -1.1152 -1.1054 -1.1054 5.8322 5.8322 7.2478 7.2478 7.3189 7.3189 7.4354 7.4354 7.6417 7.6417 7.7432 7.7432 7.8470 7.8470 7.9899 7.9899 8.0928 8.0928 8.1791 8.1791 8.5429 8.5429 8.7356 8.7356 11.8403 11.8403 12.4322 12.4322 14.1552 14.1552 14.4308 14.4308 14.6082 14.6082 15.4918 15.4918 15.5740 15.5740 k = 0.5000 0.1953 0.3362 ( 3146 PWs) bands (ev): -37.0290 -37.0290 -16.0062 -16.0062 -15.5026 -15.5026 -15.4989 -15.4989 -1.9646 -1.9646 -1.9633 -1.9633 -1.1318 -1.1318 -1.1152 -1.1152 -1.1052 -1.1052 5.8255 5.8255 7.2490 7.2490 7.3115 7.3115 7.4488 7.4488 7.6444 7.6444 7.7377 7.7377 7.8397 7.8397 7.9925 7.9925 8.0876 8.0876 8.1731 8.1731 8.5015 8.5015 8.7231 8.7231 11.9377 11.9377 12.4741 12.4741 14.1953 14.1953 14.4480 14.4480 14.6065 14.6065 15.4717 15.4717 15.6526 15.6526 k = 0.5000 0.2038 0.3242 ( 3146 PWs) bands (ev): -37.0290 -37.0290 -16.0062 -16.0062 -15.5026 -15.5026 -15.4989 -15.4989 -1.9646 -1.9646 -1.9632 -1.9632 -1.1317 -1.1317 -1.1154 -1.1154 -1.1050 -1.1050 5.8194 5.8194 7.2497 7.2497 7.3035 7.3035 7.4625 7.4625 7.6467 7.6467 7.7332 7.7332 7.8333 7.8333 7.9951 7.9951 8.0826 8.0826 8.1680 8.1680 8.4620 8.4620 8.7123 8.7123 12.0330 12.0330 12.5095 12.5095 14.2356 14.2356 14.4647 14.4647 14.6053 14.6053 15.4276 15.4276 15.7364 15.7364 k = 0.5000 0.2123 0.3122 ( 3144 PWs) bands (ev): -37.0290 -37.0290 -16.0062 -16.0062 -15.5027 -15.5027 -15.4988 -15.4988 -1.9646 -1.9646 -1.9631 -1.9631 -1.1317 -1.1317 -1.1154 -1.1154 -1.1047 -1.1047 5.8137 5.8137 7.2499 7.2499 7.2953 7.2953 7.4765 7.4765 7.6480 7.6480 7.7300 7.7300 7.8278 7.8278 7.9976 7.9976 8.0779 8.0779 8.1639 8.1639 8.4247 8.4247 8.7031 8.7031 12.1256 12.1256 12.5393 12.5393 14.2747 14.2747 14.4810 14.4810 14.6048 14.6048 15.3654 15.3654 15.8244 15.8244 k = 0.5000 0.2208 0.3002 ( 3142 PWs) bands (ev): -37.0290 -37.0290 -16.0062 -16.0062 -15.5027 -15.5027 -15.4987 -15.4987 -1.9646 -1.9646 -1.9630 -1.9630 -1.1317 -1.1317 -1.1155 -1.1155 -1.1045 -1.1045 5.8086 5.8086 7.2497 7.2497 7.2871 7.2871 7.4904 7.4904 7.6481 7.6481 7.7280 7.7280 7.8234 7.8234 7.9998 7.9998 8.0736 8.0736 8.1608 8.1608 8.3896 8.3896 8.6952 8.6952 12.2142 12.2142 12.5641 12.5641 14.3114 14.3114 14.4970 14.4970 14.6049 14.6049 15.2926 15.2926 15.9158 15.9158 k = 0.5000 0.2292 0.2882 ( 3138 PWs) bands (ev): -37.0290 -37.0290 -16.0061 -16.0061 -15.5027 -15.5027 -15.4986 -15.4986 -1.9645 -1.9645 -1.9629 -1.9629 -1.1317 -1.1317 -1.1155 -1.1155 -1.1043 -1.1043 5.8040 5.8040 7.2493 7.2493 7.2793 7.2793 7.5041 7.5041 7.6470 7.6470 7.7269 7.7269 7.8205 7.8205 8.0012 8.0012 8.0701 8.0701 8.1589 8.1589 8.3568 8.3568 8.6885 8.6885 12.2974 12.2974 12.5850 12.5850 14.3447 14.3447 14.5131 14.5131 14.6059 14.6059 15.2150 15.2150 16.0092 16.0092 k = 0.5000 0.2377 0.2762 ( 3150 PWs) bands (ev): -37.0290 -37.0290 -16.0062 -16.0062 -15.5027 -15.5027 -15.4986 -15.4986 -1.9647 -1.9647 -1.9630 -1.9630 -1.1318 -1.1318 -1.1157 -1.1157 -1.1042 -1.1042 5.8000 5.8000 7.2485 7.2485 7.2720 7.2720 7.5171 7.5171 7.6448 7.6448 7.7260 7.7260 7.8192 7.8192 8.0017 8.0017 8.0674 8.0674 8.1583 8.1583 8.3263 8.3263 8.6828 8.6828 12.3738 12.3738 12.6026 12.6026 14.3737 14.3737 14.5295 14.5295 14.6077 14.6077 15.1369 15.1369 16.1024 16.1024 k = 0.5000 0.2462 0.2642 ( 3152 PWs) bands (ev): -37.0290 -37.0290 -16.0062 -16.0062 -15.5028 -15.5028 -15.4986 -15.4986 -1.9647 -1.9647 -1.9630 -1.9630 -1.1319 -1.1319 -1.1158 -1.1158 -1.1041 -1.1041 5.7966 5.7966 7.2477 7.2477 7.2657 7.2657 7.5294 7.5294 7.6421 7.6421 7.7248 7.7248 7.8195 7.8195 8.0013 8.0013 8.0657 8.0657 8.1593 8.1593 8.2983 8.2983 8.6781 8.6781 12.4412 12.4412 12.6181 12.6181 14.3980 14.3980 14.5464 14.5464 14.6102 14.6102 15.0615 15.0615 16.1923 16.1923 k = 0.5000 0.2547 0.2522 ( 3152 PWs) bands (ev): -37.0291 -37.0291 -16.0061 -16.0061 -15.5028 -15.5028 -15.4986 -15.4986 -1.9647 -1.9647 -1.9629 -1.9629 -1.1319 -1.1319 -1.1158 -1.1158 -1.1040 -1.1040 5.7938 5.7938 7.2467 7.2467 7.2604 7.2604 7.5405 7.5405 7.6393 7.6393 7.7233 7.7233 7.8212 7.8212 8.0000 8.0000 8.0650 8.0650 8.1621 8.1621 8.2729 8.2729 8.6744 8.6744 12.4973 12.4973 12.6328 12.6328 14.4174 14.4174 14.5641 14.5641 14.6133 14.6133 14.9914 14.9914 16.2746 16.2746 k = 0.5000 0.2632 0.2401 ( 3148 PWs) bands (ev): -37.0291 -37.0291 -16.0061 -16.0061 -15.5028 -15.5028 -15.4985 -15.4985 -1.9647 -1.9647 -1.9629 -1.9629 -1.1319 -1.1319 -1.1158 -1.1158 -1.1039 -1.1039 5.7916 5.7916 7.2458 7.2458 7.2563 7.2563 7.5501 7.5501 7.6366 7.6366 7.7214 7.7214 7.8236 7.8236 7.9983 7.9983 8.0650 8.0650 8.1669 8.1669 8.2501 8.2501 8.6715 8.6715 12.5394 12.5394 12.6478 12.6478 14.4320 14.4320 14.5824 14.5824 14.6165 14.6165 14.9292 14.9292 16.3445 16.3445 k = 0.5000 0.2717 0.2281 ( 3154 PWs) bands (ev): -37.0291 -37.0291 -16.0061 -16.0061 -15.5028 -15.5028 -15.4985 -15.4985 -1.9647 -1.9647 -1.9629 -1.9629 -1.1319 -1.1319 -1.1159 -1.1159 -1.1038 -1.1038 5.7901 5.7901 7.2447 7.2447 7.2536 7.2536 7.5574 7.5574 7.6342 7.6342 7.7196 7.7196 7.8260 7.8260 7.9965 7.9965 8.0653 8.0653 8.1738 8.1738 8.2301 8.2301 8.6695 8.6695 12.5665 12.5665 12.6627 12.6627 14.4420 14.4420 14.5999 14.5999 14.6197 14.6197 14.8781 14.8781 16.3979 16.3979 k = 0.5000 0.2802 0.2161 ( 3150 PWs) bands (ev): -37.0291 -37.0291 -16.0061 -16.0061 -15.5028 -15.5028 -15.4985 -15.4985 -1.9647 -1.9647 -1.9628 -1.9628 -1.1319 -1.1319 -1.1159 -1.1159 -1.1037 -1.1037 5.7891 5.7891 7.2440 7.2440 7.2521 7.2521 7.5622 7.5622 7.6327 7.6327 7.7184 7.7184 7.8278 7.8278 7.9952 7.9952 8.0656 8.0656 8.1826 8.1826 8.2133 8.2133 8.6683 8.6683 12.5806 12.5806 12.6744 12.6744 14.4479 14.4479 14.6129 14.6129 14.6232 14.6232 14.8429 14.8429 16.4318 16.4318 k = 0.5000 0.2887 0.2041 ( 3142 PWs) bands (ev): -37.0291 -37.0291 -16.0061 -16.0061 -15.5028 -15.5028 -15.4985 -15.4985 -1.9646 -1.9646 -1.9628 -1.9628 -1.1318 -1.1318 -1.1158 -1.1158 -1.1036 -1.1036 5.7888 5.7888 7.2437 7.2437 7.2517 7.2517 7.5640 7.5640 7.6322 7.6322 7.7179 7.7179 7.8285 7.8285 7.9947 7.9947 8.0659 8.0659 8.1896 8.1896 8.2037 8.2037 8.6679 8.6679 12.5850 12.5850 12.6789 12.6789 14.4498 14.4498 14.6168 14.6168 14.6260 14.6260 14.8299 14.8299 16.4434 16.4434 k = 0.5000 0.2887 0.2041 ( 3142 PWs) bands (ev): -37.0291 -37.0291 -16.0061 -16.0061 -15.5028 -15.5028 -15.4985 -15.4985 -1.9646 -1.9646 -1.9628 -1.9628 -1.1318 -1.1318 -1.1158 -1.1158 -1.1036 -1.1036 5.7888 5.7888 7.2437 7.2437 7.2517 7.2517 7.5640 7.5640 7.6322 7.6322 7.7179 7.7179 7.8285 7.8285 7.9947 7.9947 8.0659 8.0659 8.1896 8.1896 8.2037 8.2037 8.6679 8.6679 12.5850 12.5850 12.6789 12.6789 14.4498 14.4498 14.6168 14.6168 14.6260 14.6260 14.8299 14.8299 16.4434 16.4434 k = 0.4957 0.2862 0.2182 ( 3148 PWs) bands (ev): -37.0291 -37.0291 -16.0061 -16.0061 -15.5028 -15.5028 -15.4985 -15.4985 -1.9647 -1.9647 -1.9628 -1.9628 -1.1319 -1.1319 -1.1159 -1.1159 -1.1037 -1.1037 5.7891 5.7891 7.2440 7.2440 7.2521 7.2521 7.5622 7.5622 7.6327 7.6327 7.7184 7.7184 7.8278 7.8278 7.9952 7.9952 8.0657 8.0657 8.1825 8.1825 8.2135 8.2135 8.6683 8.6683 12.5805 12.5805 12.6743 12.6743 14.4478 14.4478 14.6128 14.6128 14.6232 14.6232 14.8433 14.8433 16.4314 16.4314 k = 0.4914 0.2837 0.2323 ( 3156 PWs) bands (ev): -37.0291 -37.0291 -16.0061 -16.0061 -15.5028 -15.5028 -15.4985 -15.4985 -1.9648 -1.9648 -1.9629 -1.9629 -1.1319 -1.1319 -1.1159 -1.1159 -1.1038 -1.1038 5.7901 5.7901 7.2447 7.2447 7.2537 7.2537 7.5572 7.5572 7.6343 7.6343 7.7197 7.7197 7.8260 7.8260 7.9965 7.9965 8.0652 8.0652 8.1735 8.1735 8.2306 8.2306 8.6695 8.6695 12.5658 12.5658 12.6623 12.6623 14.4418 14.4418 14.5996 14.5996 14.6194 14.6194 14.8795 14.8795 16.3966 16.3966 k = 0.4871 0.2812 0.2464 ( 3156 PWs) bands (ev): -37.0291 -37.0291 -16.0062 -16.0062 -15.5028 -15.5028 -15.4985 -15.4985 -1.9648 -1.9648 -1.9629 -1.9629 -1.1319 -1.1319 -1.1159 -1.1159 -1.1039 -1.1039 5.7917 5.7917 7.2458 7.2458 7.2565 7.2565 7.5496 7.5496 7.6366 7.6366 7.7215 7.7215 7.8235 7.8235 7.9983 7.9983 8.0649 8.0649 8.1666 8.1666 8.2511 8.2511 8.6716 8.6716 12.5376 12.5376 12.6472 12.6472 14.4312 14.4312 14.5825 14.5825 14.6156 14.6156 14.9319 14.9319 16.3421 16.3421 k = 0.4828 0.2787 0.2604 ( 3148 PWs) bands (ev): -37.0291 -37.0291 -16.0061 -16.0061 -15.5028 -15.5028 -15.4985 -15.4985 -1.9647 -1.9647 -1.9629 -1.9629 -1.1318 -1.1318 -1.1158 -1.1158 -1.1040 -1.1040 5.7940 5.7940 7.2469 7.2469 7.2607 7.2607 7.5399 7.5399 7.6395 7.6395 7.7233 7.7233 7.8211 7.8211 8.0002 8.0002 8.0651 8.0651 8.1620 8.1620 8.2743 8.2743 8.6746 8.6746 12.4935 12.4935 12.6326 12.6326 14.4153 14.4153 14.5662 14.5662 14.6109 14.6109 14.9955 14.9955 16.2721 16.2721 k = 0.4784 0.2762 0.2745 ( 3149 PWs) bands (ev): -37.0290 -37.0290 -16.0062 -16.0062 -15.5028 -15.5028 -15.4986 -15.4986 -1.9647 -1.9647 -1.9629 -1.9629 -1.1319 -1.1319 -1.1157 -1.1157 -1.1041 -1.1041 5.7969 5.7969 7.2479 7.2479 7.2660 7.2660 7.5285 7.5285 7.6424 7.6424 7.7246 7.7246 7.8197 7.8197 8.0014 8.0014 8.0658 8.0658 8.1594 8.1594 8.3002 8.3002 8.6785 8.6785 12.4347 12.4347 12.6190 12.6190 14.3930 14.3930 14.5529 14.5529 14.6051 14.6051 15.0672 15.0672 16.1919 16.1919 k = 0.4741 0.2737 0.2886 ( 3154 PWs) bands (ev): -37.0290 -37.0290 -16.0062 -16.0062 -15.5028 -15.5028 -15.4987 -15.4987 -1.9647 -1.9647 -1.9630 -1.9630 -1.1319 -1.1319 -1.1157 -1.1157 -1.1043 -1.1043 5.8004 5.8004 7.2489 7.2489 7.2723 7.2723 7.5160 7.5160 7.6451 7.6451 7.7252 7.7252 7.8197 7.8197 8.0018 8.0018 8.0676 8.0676 8.1587 8.1587 8.3285 8.3285 8.6833 8.6833 12.3634 12.3634 12.6056 12.6056 14.3638 14.3638 14.5435 14.5435 14.5984 14.5984 15.1442 15.1442 16.1073 16.1073 k = 0.4698 0.2713 0.3027 ( 3148 PWs) bands (ev): -37.0290 -37.0290 -16.0062 -16.0062 -15.5027 -15.5027 -15.4987 -15.4987 -1.9646 -1.9646 -1.9630 -1.9630 -1.1318 -1.1318 -1.1156 -1.1156 -1.1044 -1.1044 5.8045 5.8045 7.2500 7.2500 7.2795 7.2795 7.5028 7.5028 7.6473 7.6473 7.7250 7.7250 7.8218 7.8218 8.0012 8.0012 8.0705 8.0705 8.1599 8.1599 8.3591 8.3591 8.6892 8.6892 12.2823 12.2823 12.5916 12.5916 14.3275 14.3275 14.5380 14.5380 14.5908 14.5908 15.2236 15.2236 16.0236 16.0236 k = 0.4655 0.2688 0.3167 ( 3148 PWs) bands (ev): -37.0290 -37.0290 -16.0062 -16.0062 -15.5027 -15.5027 -15.4988 -15.4988 -1.9646 -1.9646 -1.9631 -1.9631 -1.1318 -1.1318 -1.1155 -1.1155 -1.1046 -1.1046 5.8092 5.8092 7.2509 7.2509 7.2871 7.2871 7.4890 7.4890 7.6483 7.6483 7.7246 7.7246 7.8260 7.8260 7.9998 7.9998 8.0744 8.0744 8.1626 8.1626 8.3918 8.3918 8.6963 8.6963 12.1928 12.1928 12.5765 12.5765 14.2845 14.2845 14.5358 14.5358 14.5827 14.5827 15.3019 15.3019 15.9460 15.9460 k = 0.4612 0.2663 0.3308 ( 3148 PWs) bands (ev): -37.0290 -37.0290 -16.0062 -16.0062 -15.5027 -15.5027 -15.4988 -15.4988 -1.9647 -1.9647 -1.9631 -1.9631 -1.1318 -1.1318 -1.1155 -1.1155 -1.1048 -1.1048 5.8144 5.8144 7.2518 7.2518 7.2948 7.2948 7.4752 7.4752 7.6478 7.6478 7.7245 7.7245 7.8322 7.8322 7.9977 7.9977 8.0793 8.0793 8.1668 8.1668 8.4263 8.4263 8.7048 8.7048 12.0966 12.0966 12.5601 12.5601 14.2353 14.2353 14.5364 14.5364 14.5741 14.5741 15.3732 15.3732 15.8809 15.8809 k = 0.4569 0.2638 0.3449 ( 3152 PWs) bands (ev): -37.0290 -37.0290 -16.0062 -16.0062 -15.5026 -15.5026 -15.4989 -15.4989 -1.9647 -1.9647 -1.9632 -1.9632 -1.1318 -1.1318 -1.1154 -1.1154 -1.1050 -1.1050 5.8202 5.8202 7.2526 7.2526 7.3024 7.3024 7.4615 7.4615 7.6455 7.6455 7.7250 7.7250 7.8400 7.8400 7.9953 7.9953 8.0850 8.0850 8.1724 8.1724 8.4625 8.4625 8.7149 8.7149 11.9950 11.9950 12.5421 12.5421 14.1806 14.1806 14.5390 14.5390 14.5656 14.5656 15.4279 15.4279 15.8378 15.8378 k = 0.4526 0.2613 0.3590 ( 3148 PWs) bands (ev): -37.0290 -37.0290 -16.0062 -16.0062 -15.5026 -15.5026 -15.4990 -15.4990 -1.9647 -1.9647 -1.9633 -1.9633 -1.1318 -1.1318 -1.1153 -1.1153 -1.1052 -1.1052 5.8265 5.8265 7.2532 7.2532 7.3096 7.3096 7.4485 7.4485 7.6416 7.6416 7.7264 7.7264 7.8492 7.8492 7.9929 7.9929 8.0916 8.0916 8.1794 8.1794 8.4999 8.4999 8.7270 8.7270 11.8887 11.8887 12.5226 12.5226 14.1212 14.1212 14.5423 14.5423 14.5580 14.5580 15.4528 15.4528 15.8285 15.8285 k = 0.4483 0.2588 0.3731 ( 3151 PWs) bands (ev): -37.0290 -37.0290 -16.0063 -16.0063 -15.5026 -15.5026 -15.4991 -15.4991 -1.9647 -1.9647 -1.9634 -1.9634 -1.1318 -1.1318 -1.1152 -1.1152 -1.1054 -1.1054 5.8332 5.8332 7.2535 7.2535 7.3157 7.3157 7.4365 7.4365 7.6360 7.6360 7.7285 7.7285 7.8595 7.8595 7.9905 7.9905 8.0989 8.0989 8.1875 8.1875 8.5381 8.5381 8.7414 8.7414 11.7787 11.7787 12.5016 12.5016 14.0580 14.0580 14.5417 14.5417 14.5562 14.5562 15.4434 15.4434 15.7784 15.7784 k = 0.4440 0.2563 0.3871 ( 3149 PWs) bands (ev): -37.0290 -37.0290 -16.0063 -16.0063 -15.5025 -15.5025 -15.4991 -15.4991 -1.9647 -1.9647 -1.9634 -1.9634 -1.1318 -1.1318 -1.1151 -1.1151 -1.1056 -1.1056 5.8403 5.8403 7.2535 7.2535 7.3206 7.3206 7.4258 7.4258 7.6294 7.6294 7.7311 7.7311 7.8706 7.8706 7.9883 7.9883 8.1071 8.1071 8.1967 8.1967 8.5766 8.5766 8.7591 8.7591 11.6657 11.6657 12.4792 12.4792 13.9919 13.9919 14.5351 14.5351 14.5620 14.5620 15.4113 15.4113 15.7079 15.7079 k = 0.4397 0.2538 0.4012 ( 3154 PWs) bands (ev): -37.0290 -37.0290 -16.0063 -16.0063 -15.5025 -15.5025 -15.4992 -15.4992 -1.9648 -1.9648 -1.9635 -1.9635 -1.1319 -1.1319 -1.1151 -1.1151 -1.1059 -1.1059 5.8478 5.8478 7.2530 7.2530 7.3237 7.3237 7.4171 7.4171 7.6221 7.6221 7.7337 7.7337 7.8820 7.8820 7.9864 7.9864 8.1162 8.1162 8.2070 8.2070 8.6145 8.6145 8.7807 8.7807 11.5501 11.5501 12.4553 12.4553 13.9237 13.9237 14.5274 14.5274 14.5705 14.5705 15.3694 15.3694 15.6393 15.6393 k = 0.4353 0.2513 0.4153 ( 3152 PWs) bands (ev): -37.0290 -37.0290 -16.0063 -16.0063 -15.5025 -15.5025 -15.4993 -15.4993 -1.9648 -1.9648 -1.9636 -1.9636 -1.1319 -1.1319 -1.1150 -1.1150 -1.1061 -1.1061 5.8555 5.8555 7.2521 7.2521 7.3247 7.3247 7.4108 7.4108 7.6143 7.6143 7.7364 7.7364 7.8934 7.8934 7.9848 7.9848 8.1263 8.1263 8.2182 8.2182 8.6510 8.6510 8.8073 8.8073 11.4327 11.4327 12.4301 12.4301 13.8543 13.8543 14.5200 14.5200 14.5804 14.5804 15.3247 15.3247 15.5725 15.5725 k = 0.4310 0.2489 0.4294 ( 3153 PWs) bands (ev): -37.0290 -37.0290 -16.0063 -16.0063 -15.5025 -15.5025 -15.4994 -15.4994 -1.9648 -1.9648 -1.9636 -1.9636 -1.1319 -1.1319 -1.1150 -1.1150 -1.1062 -1.1062 5.8635 5.8635 7.2504 7.2504 7.3235 7.3235 7.4068 7.4068 7.6062 7.6062 7.7389 7.7389 7.9045 7.9045 7.9836 7.9836 8.1373 8.1373 8.2302 8.2302 8.6854 8.6854 8.8398 8.8398 11.3140 11.3140 12.4037 12.4037 13.7847 13.7847 14.5133 14.5133 14.5913 14.5913 15.2805 15.2805 15.5078 15.5078 k = 0.4267 0.2464 0.4434 ( 3149 PWs) bands (ev): -37.0290 -37.0290 -16.0064 -16.0064 -15.5024 -15.5024 -15.4995 -15.4995 -1.9648 -1.9648 -1.9636 -1.9636 -1.1320 -1.1320 -1.1149 -1.1149 -1.1063 -1.1063 5.8715 5.8715 7.2481 7.2481 7.3207 7.3207 7.4049 7.4049 7.5981 7.5981 7.7414 7.7414 7.9150 7.9150 7.9828 7.9828 8.1491 8.1491 8.2431 8.2431 8.7176 8.7176 8.8784 8.8784 11.1946 11.1946 12.3761 12.3761 13.7155 13.7155 14.5076 14.5076 14.6030 14.6030 15.2379 15.2379 15.4450 15.4450 k = 0.4224 0.2439 0.4575 ( 3151 PWs) bands (ev): -37.0290 -37.0290 -16.0064 -16.0064 -15.5024 -15.5024 -15.4996 -15.4996 -1.9649 -1.9649 -1.9637 -1.9637 -1.1320 -1.1320 -1.1149 -1.1149 -1.1065 -1.1065 5.8796 5.8796 7.2450 7.2450 7.3168 7.3168 7.4044 7.4044 7.5900 7.5900 7.7437 7.7437 7.9246 7.9246 7.9823 7.9823 8.1616 8.1616 8.2567 8.2567 8.7480 8.7480 8.9226 8.9226 11.0750 11.0750 12.3476 12.3476 13.6475 13.6475 14.5030 14.5030 14.6152 14.6152 15.1977 15.1977 15.3843 15.3843 k = 0.4181 0.2414 0.4716 ( 3156 PWs) bands (ev): -37.0290 -37.0290 -16.0064 -16.0064 -15.5024 -15.5024 -15.4997 -15.4997 -1.9650 -1.9650 -1.9638 -1.9638 -1.1322 -1.1322 -1.1149 -1.1149 -1.1066 -1.1066 5.8876 5.8876 7.2411 7.2411 7.3124 7.3124 7.4048 7.4048 7.5820 7.5820 7.7461 7.7461 7.9330 7.9330 7.9822 7.9822 8.1745 8.1745 8.2707 8.2707 8.7773 8.7773 8.9718 8.9718 10.9559 10.9559 12.3183 12.3183 13.5811 13.5811 14.4997 14.4997 14.6279 14.6279 15.1601 15.1601 15.3255 15.3255 k = 0.4138 0.2389 0.4857 ( 3154 PWs) bands (ev): -37.0290 -37.0290 -16.0064 -16.0064 -15.5024 -15.5024 -15.4997 -15.4997 -1.9650 -1.9650 -1.9638 -1.9638 -1.1322 -1.1322 -1.1149 -1.1149 -1.1066 -1.1066 5.8955 5.8955 7.2365 7.2365 7.3080 7.3080 7.4055 7.4055 7.5743 7.5743 7.7486 7.7486 7.9403 7.9403 7.9826 7.9826 8.1876 8.1876 8.2852 8.2852 8.8065 8.8065 9.0249 9.0249 10.8382 10.8382 12.2885 12.2885 13.5169 13.5169 14.4977 14.4977 14.6408 14.6408 15.1252 15.1252 15.2688 15.2688 k = 0.4095 0.2364 0.4998 ( 3156 PWs) bands (ev): -37.0290 -37.0290 -16.0065 -16.0065 -15.5024 -15.5024 -15.4998 -15.4998 -1.9651 -1.9651 -1.9639 -1.9639 -1.1323 -1.1323 -1.1150 -1.1150 -1.1066 -1.1066 5.9030 5.9030 7.2314 7.2314 7.3038 7.3038 7.4060 7.4060 7.5669 7.5669 7.7513 7.7513 7.9462 7.9462 7.9834 7.9834 8.2005 8.2005 8.2998 8.2998 8.8358 8.8358 9.0813 9.0813 10.7227 10.7227 12.2581 12.2581 13.4552 13.4552 14.4971 14.4971 14.6536 14.6536 15.0932 15.0932 15.2140 15.2140 k = 0.4052 0.2339 0.5138 ( 3156 PWs) bands (ev): -37.0290 -37.0290 -16.0065 -16.0065 -15.5023 -15.5023 -15.4999 -15.4999 -1.9652 -1.9652 -1.9639 -1.9639 -1.1325 -1.1325 -1.1150 -1.1150 -1.1066 -1.1066 5.9102 5.9102 7.2258 7.2258 7.2999 7.2999 7.4062 7.4062 7.5600 7.5600 7.7543 7.7543 7.9506 7.9506 7.9846 7.9846 8.2131 8.2131 8.3146 8.3146 8.8653 8.8653 9.1404 9.1404 10.6106 10.6106 12.2275 12.2275 13.3962 13.3962 14.4980 14.4980 14.6660 14.6660 15.0642 15.0642 15.1613 15.1613 k = 0.4009 0.2314 0.5279 ( 3160 PWs) bands (ev): -37.0290 -37.0290 -16.0065 -16.0065 -15.5023 -15.5023 -15.4999 -15.4999 -1.9653 -1.9653 -1.9639 -1.9639 -1.1326 -1.1326 -1.1151 -1.1151 -1.1066 -1.1066 5.9168 5.9168 7.2200 7.2200 7.2960 7.2960 7.4061 7.4061 7.5536 7.5536 7.7577 7.7577 7.9535 7.9535 7.9864 7.9864 8.2251 8.2251 8.3294 8.3294 8.8945 8.8945 9.2014 9.2014 10.5031 10.5031 12.1968 12.1968 13.3401 13.3401 14.5004 14.5004 14.6776 14.6776 15.0387 15.0387 15.1105 15.1105 k = 0.3966 0.2289 0.5420 ( 3162 PWs) bands (ev): -37.0290 -37.0290 -16.0065 -16.0065 -15.5023 -15.5023 -15.5000 -15.5000 -1.9654 -1.9654 -1.9639 -1.9639 -1.1327 -1.1327 -1.1153 -1.1153 -1.1065 -1.1065 5.9228 5.9228 7.2139 7.2139 7.2922 7.2922 7.4056 7.4056 7.5480 7.5480 7.7615 7.7615 7.9551 7.9551 7.9885 7.9885 8.2364 8.2364 8.3442 8.3442 8.9228 8.9228 9.2638 9.2638 10.4023 10.4023 12.1662 12.1662 13.2870 13.2870 14.5044 14.5044 14.6878 14.6878 15.0169 15.0169 15.0619 15.0619 k = 0.3922 0.2265 0.5561 ( 3165 PWs) bands (ev): -37.0290 -37.0290 -16.0065 -16.0065 -15.5024 -15.5024 -15.5000 -15.5000 -1.9656 -1.9656 -1.9639 -1.9639 -1.1329 -1.1329 -1.1154 -1.1154 -1.1065 -1.1065 5.9281 5.9281 7.2075 7.2075 7.2885 7.2885 7.4045 7.4045 7.5434 7.5434 7.7656 7.7656 7.9555 7.9555 7.9908 7.9908 8.2468 8.2468 8.3591 8.3591 8.9486 8.9486 9.3268 9.3268 10.3103 10.3103 12.1360 12.1360 13.2370 13.2370 14.5098 14.5098 14.6961 14.6961 14.9994 14.9994 15.0157 15.0157 k = 0.3879 0.2240 0.5701 ( 3169 PWs) bands (ev): -37.0290 -37.0290 -16.0066 -16.0066 -15.5024 -15.5024 -15.5000 -15.5000 -1.9657 -1.9657 -1.9639 -1.9639 -1.1330 -1.1330 -1.1155 -1.1155 -1.1064 -1.1064 5.9325 5.9325 7.2006 7.2006 7.2850 7.2850 7.4029 7.4029 7.5399 7.5399 7.7701 7.7701 7.9550 7.9550 7.9929 7.9929 8.2563 8.2563 8.3740 8.3740 8.9703 8.9703 9.3894 9.3894 10.2303 10.2303 12.1062 12.1062 13.1901 13.1901 14.5166 14.5166 14.7019 14.7019 14.9705 14.9705 14.9880 14.9880 k = 0.3836 0.2215 0.5842 ( 3172 PWs) bands (ev): -37.0290 -37.0290 -16.0066 -16.0066 -15.5024 -15.5024 -15.5001 -15.5001 -1.9659 -1.9659 -1.9640 -1.9640 -1.1332 -1.1332 -1.1157 -1.1157 -1.1063 -1.1063 5.9359 5.9359 7.1928 7.1928 7.2818 7.2818 7.4009 7.4009 7.5376 7.5376 7.7751 7.7751 7.9536 7.9536 7.9946 7.9946 8.2648 8.2648 8.3890 8.3890 8.9854 8.9854 9.4504 9.4504 10.1661 10.1661 12.0771 12.0771 13.1461 13.1461 14.5247 14.5247 14.7046 14.7046 14.9289 14.9289 14.9811 14.9811 k = 0.3793 0.2190 0.5983 ( 3170 PWs) bands (ev): -37.0290 -37.0290 -16.0066 -16.0066 -15.5024 -15.5024 -15.5000 -15.5000 -1.9660 -1.9660 -1.9639 -1.9639 -1.1333 -1.1333 -1.1158 -1.1158 -1.1062 -1.1062 5.9383 5.9383 7.1837 7.1837 7.2793 7.2793 7.3984 7.3984 7.5367 7.5367 7.7803 7.7803 7.9518 7.9518 7.9958 7.9958 8.2723 8.2723 8.4042 8.4042 8.9911 8.9911 9.5086 9.5086 10.1219 10.1219 12.0489 12.0489 13.1051 13.1051 14.5339 14.5339 14.7042 14.7042 14.8897 14.8897 14.9801 14.9801 k = 0.3750 0.2165 0.6124 ( 3180 PWs) bands (ev): -37.0290 -37.0290 -16.0066 -16.0066 -15.5025 -15.5025 -15.5001 -15.5001 -1.9662 -1.9662 -1.9640 -1.9640 -1.1336 -1.1336 -1.1160 -1.1160 -1.1062 -1.1062 5.9394 5.9394 7.1729 7.1729 7.2776 7.2776 7.3954 7.3954 7.5372 7.5372 7.7857 7.7857 7.9492 7.9492 7.9962 7.9962 8.2788 8.2788 8.4195 8.4195 8.9847 8.9847 9.5632 9.5632 10.1012 10.1012 12.0217 12.0217 13.0668 13.0668 14.5438 14.5438 14.7008 14.7008 14.8535 14.8535 14.9846 14.9846 k = 0.6250-0.0722 0.4082 ( 3180 PWs) bands (ev): -37.0290 -37.0290 -16.0066 -16.0066 -15.5025 -15.5025 -15.5001 -15.5001 -1.9662 -1.9662 -1.9640 -1.9640 -1.1336 -1.1336 -1.1160 -1.1160 -1.1062 -1.1062 5.9394 5.9394 7.1729 7.1729 7.2776 7.2776 7.3954 7.3954 7.5372 7.5372 7.7857 7.7857 7.9492 7.9492 7.9962 7.9962 8.2788 8.2788 8.4195 8.4195 8.9847 8.9847 9.5632 9.5632 10.1012 10.1012 12.0217 12.0217 13.0668 13.0668 14.5438 14.5438 14.7008 14.7008 14.8535 14.8535 14.9846 14.9846 k = 0.6176-0.0849 0.4082 ( 3170 PWs) bands (ev): -37.0290 -37.0290 -16.0066 -16.0066 -15.5025 -15.5025 -15.5000 -15.5000 -1.9663 -1.9663 -1.9639 -1.9639 -1.1337 -1.1337 -1.1161 -1.1161 -1.1059 -1.1059 5.9396 5.9396 7.1522 7.1522 7.2768 7.2768 7.3899 7.3899 7.5409 7.5409 7.7953 7.7953 7.9450 7.9450 7.9961 7.9961 8.2889 8.2889 8.4459 8.4459 8.9549 8.9549 9.6636 9.6636 10.0880 10.0880 11.9769 11.9769 13.0045 13.0045 14.5605 14.5605 14.6939 14.6939 14.7961 14.7961 14.9961 14.9961 k = 0.6103-0.0976 0.4082 ( 3174 PWs) bands (ev): -37.0290 -37.0290 -16.0066 -16.0066 -15.5026 -15.5026 -15.5000 -15.5000 -1.9666 -1.9666 -1.9639 -1.9639 -1.1340 -1.1340 -1.1163 -1.1163 -1.1058 -1.1058 5.9388 5.9388 7.1304 7.1304 7.2773 7.2773 7.3836 7.3836 7.5470 7.5470 7.8048 7.8048 7.9410 7.9410 7.9953 7.9953 8.2984 8.2984 8.4718 8.4718 8.9151 8.9151 9.7788 9.7788 10.0757 10.0757 11.9334 11.9334 12.9432 12.9432 14.5758 14.5758 14.6883 14.6883 14.7420 14.7420 15.0060 15.0060 k = 0.6029-0.1104 0.4082 ( 3170 PWs) bands (ev): -37.0290 -37.0290 -16.0066 -16.0066 -15.5026 -15.5026 -15.4999 -15.4999 -1.9667 -1.9667 -1.9638 -1.9638 -1.1342 -1.1342 -1.1165 -1.1165 -1.1055 -1.1055 5.9370 5.9370 7.1086 7.1086 7.2788 7.2788 7.3773 7.3773 7.5553 7.5553 7.8144 7.8144 7.9372 7.9372 7.9940 7.9940 8.3074 8.3074 8.4965 8.4965 8.8713 8.8713 9.9030 9.9030 10.0645 10.0645 11.8913 11.8913 12.8825 12.8825 14.5898 14.5898 14.6814 14.6814 14.6938 14.6938 15.0140 15.0140 k = 0.5956-0.1231 0.4082 ( 3170 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5026 -15.5026 -15.4999 -15.4999 -1.9670 -1.9670 -1.9638 -1.9638 -1.1345 -1.1345 -1.1166 -1.1166 -1.1053 -1.1053 5.9346 5.9346 7.0871 7.0871 7.2808 7.2808 7.3710 7.3710 7.5656 7.5656 7.8239 7.8239 7.9337 7.9337 7.9922 7.9922 8.3157 8.3157 8.5187 8.5187 8.8274 8.8274 10.0330 10.0330 10.0541 10.0541 11.8508 11.8508 12.8221 12.8221 14.6022 14.6022 14.6419 14.6419 14.6831 14.6831 15.0198 15.0198 k = 0.5882-0.1358 0.4082 ( 3168 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5027 -15.5027 -15.4998 -15.4998 -1.9672 -1.9672 -1.9637 -1.9637 -1.1348 -1.1348 -1.1168 -1.1168 -1.1051 -1.1051 5.9316 5.9316 7.0663 7.0663 7.2830 7.2830 7.3650 7.3650 7.5775 7.5775 7.8332 7.8332 7.9305 7.9305 7.9902 7.9902 8.3233 8.3233 8.5365 8.5365 8.7865 8.7865 10.0447 10.0447 10.1667 10.1667 11.8121 11.8121 12.7616 12.7616 14.5948 14.5948 14.6166 14.6166 14.6812 14.6812 15.0232 15.0232 k = 0.5809-0.1486 0.4082 ( 3168 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5027 -15.5027 -15.4997 -15.4997 -1.9674 -1.9674 -1.9637 -1.9637 -1.1350 -1.1350 -1.1170 -1.1170 -1.1049 -1.1049 5.9283 5.9283 7.0465 7.0465 7.2853 7.2853 7.3595 7.3595 7.5910 7.5910 7.8425 7.8425 7.9276 7.9276 7.9878 7.9878 8.3303 8.3303 8.5464 8.5464 8.7528 8.7528 10.0361 10.0361 10.3027 10.3027 11.7754 11.7754 12.7003 12.7003 14.5548 14.5548 14.6258 14.6258 14.6805 14.6805 15.0239 15.0239 k = 0.5735-0.1613 0.4082 ( 3170 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5028 -15.5028 -15.4997 -15.4997 -1.9676 -1.9676 -1.9637 -1.9637 -1.1353 -1.1353 -1.1172 -1.1172 -1.1047 -1.1047 5.9247 5.9247 7.0280 7.0280 7.2874 7.2874 7.3546 7.3546 7.6057 7.6057 7.8515 7.8515 7.9249 7.9249 7.9851 7.9851 8.3366 8.3366 8.5439 8.5439 8.7313 8.7313 10.0284 10.0284 10.4400 10.4400 11.7408 11.7408 12.6379 12.6379 14.5171 14.5171 14.6348 14.6348 14.6807 14.6807 15.0218 15.0218 k = 0.5662-0.1741 0.4082 ( 3166 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5028 -15.5028 -15.4996 -15.4996 -1.9678 -1.9678 -1.9636 -1.9636 -1.1355 -1.1355 -1.1173 -1.1173 -1.1045 -1.1045 5.9211 5.9211 7.0109 7.0109 7.2892 7.2892 7.3504 7.3504 7.6216 7.6216 7.8605 7.8605 7.9226 7.9226 7.9824 7.9824 8.3419 8.3419 8.5272 8.5272 8.7243 8.7243 10.0215 10.0215 10.5775 10.5775 11.7087 11.7087 12.5739 12.5739 14.4828 14.4828 14.6428 14.6428 14.6817 14.6817 15.0166 15.0166 k = 0.5588-0.1868 0.4082 ( 3162 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5028 -15.5028 -15.4996 -15.4996 -1.9679 -1.9679 -1.9636 -1.9636 -1.1357 -1.1357 -1.1175 -1.1175 -1.1044 -1.1044 5.9175 5.9175 6.9953 6.9953 7.2905 7.2905 7.3470 7.3470 7.6383 7.6383 7.8692 7.8692 7.9204 7.9204 7.9796 7.9796 8.3464 8.3464 8.5000 8.5000 8.7285 8.7285 10.0154 10.0154 10.7145 10.7145 11.6791 11.6791 12.5077 12.5077 14.4519 14.4519 14.6496 14.6496 14.6833 14.6833 15.0085 15.0085 k = 0.5515-0.1995 0.4082 ( 3158 PWs) bands (ev): -37.0289 -37.0289 -16.0065 -16.0065 -15.5029 -15.5029 -15.4995 -15.4995 -1.9680 -1.9680 -1.9635 -1.9635 -1.1359 -1.1359 -1.1176 -1.1176 -1.1042 -1.1042 5.9141 5.9141 6.9814 6.9814 7.2912 7.2912 7.3445 7.3445 7.6554 7.6554 7.8778 7.8778 7.9185 7.9185 7.9766 7.9766 8.3492 8.3492 8.4683 8.4683 8.7386 8.7386 10.0101 10.0101 10.8500 10.8500 11.6524 11.6524 12.4388 12.4388 14.4245 14.4245 14.6553 14.6553 14.6854 14.6854 14.9977 14.9977 k = 0.5441-0.2123 0.4082 ( 3166 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5029 -15.5029 -15.4995 -15.4995 -1.9682 -1.9682 -1.9636 -1.9636 -1.1361 -1.1361 -1.1177 -1.1177 -1.1041 -1.1041 5.9109 5.9109 6.9692 6.9692 7.2915 7.2915 7.3427 7.3427 7.6722 7.6722 7.8862 7.8862 7.9168 7.9168 7.9736 7.9736 8.3495 8.3495 8.4370 8.4370 8.7505 8.7505 10.0055 10.0055 10.9829 10.9829 11.6287 11.6287 12.3670 12.3670 14.4007 14.4007 14.6599 14.6599 14.6877 14.6877 14.9848 14.9848 k = 0.5368-0.2250 0.4082 ( 3166 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5029 -15.5029 -15.4995 -15.4995 -1.9684 -1.9684 -1.9635 -1.9635 -1.1363 -1.1363 -1.1178 -1.1178 -1.1041 -1.1041 5.9080 5.9080 6.9588 6.9588 7.2914 7.2914 7.3414 7.3414 7.6885 7.6885 7.8943 7.8943 7.9154 7.9154 7.9705 7.9705 8.3454 8.3454 8.4111 8.4111 8.7623 8.7623 10.0018 10.0018 11.1120 11.1120 11.6083 11.6083 12.2922 12.2922 14.3805 14.3805 14.6636 14.6636 14.6900 14.6900 14.9706 14.9706 k = 0.5294-0.2377 0.4082 ( 3170 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5030 -15.5030 -15.4995 -15.4995 -1.9685 -1.9685 -1.9636 -1.9636 -1.1365 -1.1365 -1.1179 -1.1179 -1.1040 -1.1040 5.9055 5.9055 6.9502 6.9502 7.2911 7.2911 7.3407 7.3407 7.7033 7.7033 7.9018 7.9018 7.9145 7.9145 7.9676 7.9676 8.3340 8.3340 8.3949 8.3949 8.7731 8.7731 9.9987 9.9987 11.2356 11.2356 11.5913 11.5913 12.2149 12.2149 14.3640 14.3640 14.6664 14.6664 14.6922 14.6922 14.9564 14.9564 k = 0.5221-0.2505 0.4082 ( 3166 PWs) bands (ev): -37.0289 -37.0289 -16.0066 -16.0066 -15.5030 -15.5030 -15.4994 -15.4994 -1.9686 -1.9686 -1.9635 -1.9635 -1.1366 -1.1366 -1.1180 -1.1180 -1.1039 -1.1039 5.9036 5.9036 6.9435 6.9435 7.2906 7.2906 7.3403 7.3403 7.7160 7.7160 7.9080 7.9080 7.9147 7.9147 7.9650 7.9650 8.3175 8.3175 8.3878 8.3878 8.7822 8.7822 9.9963 9.9963 11.3509 11.3509 11.5780 11.5780 12.1369 12.1369 14.3512 14.3512 14.6686 14.6686 14.6941 14.6941 14.9435 14.9435 k = 0.5147-0.2632 0.4082 ( 3158 PWs) bands (ev): -37.0289 -37.0289 -16.0065 -16.0065 -15.5030 -15.5030 -15.4994 -15.4994 -1.9686 -1.9686 -1.9634 -1.9634 -1.1366 -1.1366 -1.1179 -1.1179 -1.1037 -1.1037 5.9021 5.9021 6.9387 6.9387 7.2903 7.2903 7.3401 7.3401 7.7258 7.7258 7.9104 7.9104 7.9179 7.9179 7.9627 7.9627 8.3018 8.3018 8.3852 8.3852 8.7888 8.7888 9.9947 9.9947 11.4527 11.4527 11.5683 11.5683 12.0624 12.0624 14.3420 14.3420 14.6701 14.6701 14.6955 14.6955 14.9332 14.9332 k = 0.5074-0.2759 0.4082 ( 3138 PWs) bands (ev): -37.0289 -37.0289 -16.0065 -16.0065 -15.5029 -15.5029 -15.4993 -15.4993 -1.9683 -1.9683 -1.9633 -1.9633 -1.1364 -1.1364 -1.1178 -1.1178 -1.1035 -1.1035 5.9013 5.9013 6.9359 6.9359 7.2904 7.2904 7.3401 7.3401 7.7321 7.7321 7.9107 7.9107 7.9215 7.9215 7.9612 7.9612 8.2911 8.2911 8.3848 8.3848 8.7929 8.7929 9.9938 9.9938 11.5297 11.5297 11.5625 11.5625 12.0021 12.0021 14.3365 14.3365 14.6710 14.6710 14.6964 14.6964 14.9265 14.9265 k = 0.5000-0.2887 0.4082 ( 3138 PWs) bands (ev): -37.0289 -37.0289 -16.0065 -16.0065 -15.5029 -15.5029 -15.4993 -15.4993 -1.9684 -1.9684 -1.9633 -1.9633 -1.1364 -1.1364 -1.1178 -1.1178 -1.1035 -1.1035 5.9010 5.9010 6.9350 6.9350 7.2903 7.2903 7.3401 7.3401 7.7342 7.7342 7.9106 7.9106 7.9230 7.9230 7.9605 7.9605 8.2873 8.2873 8.3846 8.3846 8.7943 8.7943 9.9935 9.9935 11.5593 11.5593 11.5617 11.5617 11.9769 11.9769 14.3346 14.3346 14.6713 14.6713 14.6967 14.6967 14.9242 14.9242 Writing output data file ScInAg2.save init_run : 0.32s CPU 0.44s WALL ( 1 calls) electrons : 154.90s CPU 157.15s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 154.90s CPU 157.14s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.08s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 315 calls) cegterg : 138.51s CPU 140.23s WALL ( 317 calls) Called by sum_band: Called by *egterg: h_psi : 84.68s CPU 85.93s WALL ( 5807 calls) s_psi : 4.62s CPU 4.63s WALL ( 5807 calls) g_psi : 0.18s CPU 0.17s WALL ( 5175 calls) cdiaghg : 48.86s CPU 49.44s WALL ( 5490 calls) cegterg:over : 4.69s CPU 4.70s WALL ( 5175 calls) cegterg:upda : 3.37s CPU 3.58s WALL ( 5175 calls) cegterg:last : 2.14s CPU 2.08s WALL ( 947 calls) cdiaghg:chol : 2.78s CPU 2.73s WALL ( 5490 calls) cdiaghg:inve : 1.97s CPU 1.93s WALL ( 5490 calls) cdiaghg:para : 3.06s CPU 3.15s WALL ( 10980 calls) Called by h_psi: h_psi:vloc : 75.32s CPU 76.35s WALL ( 5807 calls) h_psi:vnl : 9.18s CPU 9.43s WALL ( 5807 calls) add_vuspsi : 5.13s CPU 5.18s WALL ( 5807 calls) General routines calbec : 4.04s CPU 4.23s WALL ( 5807 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 70.12s CPU 71.32s WALL ( 749932 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.16s WALL ( 630 calls) Parallel routines fft_scatter : 21.10s CPU 21.73s WALL ( 749955 calls) PWSCF : 2m49.94s CPU 3m11.71s WALL This run was terminated on: 14:42:36 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=