Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:42:31 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: ./Mg2Sn.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P 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 60 36 10 1833 863 135 Max 61 37 11 1836 881 139 Sum 2161 1309 379 66027 31415 4909 bravais-lattice index = 14 lattice parameter (alat) = 9.0049 a.u. unit-cell volume = 516.3247 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.004908 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 Sn read from file: /users/gautes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 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 Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Sn 14.00 118.71000 Sn( 1.00) Mg 10.00 24.30500 Mg( 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= 314 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031847 k( 2) = ( 0.0106383 -0.0061420 0.0086861), wk = 0.0031847 k( 3) = ( 0.0212766 -0.0122841 0.0173723), wk = 0.0031847 k( 4) = ( 0.0319149 -0.0184261 0.0260584), wk = 0.0031847 k( 5) = ( 0.0425532 -0.0245681 0.0347445), wk = 0.0031847 k( 6) = ( 0.0531915 -0.0307101 0.0434307), wk = 0.0031847 k( 7) = ( 0.0638298 -0.0368521 0.0521168), wk = 0.0031847 k( 8) = ( 0.0744681 -0.0429942 0.0608029), wk = 0.0031847 k( 9) = ( 0.0851064 -0.0491362 0.0694891), wk = 0.0031847 k( 10) = ( 0.0957447 -0.0552782 0.0781752), wk = 0.0031847 k( 11) = ( 0.1063830 -0.0614202 0.0868613), wk = 0.0031847 k( 12) = ( 0.1170213 -0.0675623 0.0955475), wk = 0.0031847 k( 13) = ( 0.1276596 -0.0737043 0.1042336), wk = 0.0031847 k( 14) = ( 0.1382979 -0.0798463 0.1129197), wk = 0.0031847 k( 15) = ( 0.1489362 -0.0859883 0.1216059), wk = 0.0031847 k( 16) = ( 0.1595745 -0.0921304 0.1302920), wk = 0.0031847 k( 17) = ( 0.1702128 -0.0982724 0.1389781), wk = 0.0031847 k( 18) = ( 0.1808511 -0.1044144 0.1476643), wk = 0.0031847 k( 19) = ( 0.1914894 -0.1105564 0.1563504), wk = 0.0031847 k( 20) = ( 0.2021277 -0.1166985 0.1650365), wk = 0.0031847 k( 21) = ( 0.2127660 -0.1228405 0.1737227), wk = 0.0031847 k( 22) = ( 0.2234043 -0.1289825 0.1824088), wk = 0.0031847 k( 23) = ( 0.2340425 -0.1351245 0.1910949), wk = 0.0031847 k( 24) = ( 0.2446809 -0.1412666 0.1997811), wk = 0.0031847 k( 25) = ( 0.2553191 -0.1474086 0.2084672), wk = 0.0031847 k( 26) = ( 0.2659574 -0.1535506 0.2171533), wk = 0.0031847 k( 27) = ( 0.2765957 -0.1596926 0.2258395), wk = 0.0031847 k( 28) = ( 0.2872340 -0.1658347 0.2345256), wk = 0.0031847 k( 29) = ( 0.2978723 -0.1719767 0.2432117), wk = 0.0031847 k( 30) = ( 0.3085106 -0.1781187 0.2518979), wk = 0.0031847 k( 31) = ( 0.3191489 -0.1842607 0.2605840), wk = 0.0031847 k( 32) = ( 0.3297872 -0.1904027 0.2692701), wk = 0.0031847 k( 33) = ( 0.3404255 -0.1965448 0.2779563), wk = 0.0031847 k( 34) = ( 0.3510638 -0.2026868 0.2866424), wk = 0.0031847 k( 35) = ( 0.3617021 -0.2088288 0.2953286), wk = 0.0031847 k( 36) = ( 0.3723404 -0.2149708 0.3040147), wk = 0.0031847 k( 37) = ( 0.3829787 -0.2211129 0.3127008), wk = 0.0031847 k( 38) = ( 0.3936170 -0.2272549 0.3213870), wk = 0.0031847 k( 39) = ( 0.4042553 -0.2333969 0.3300731), wk = 0.0031847 k( 40) = ( 0.4148936 -0.2395389 0.3387592), wk = 0.0031847 k( 41) = ( 0.4255319 -0.2456810 0.3474453), wk = 0.0031847 k( 42) = ( 0.4361702 -0.2518230 0.3561315), wk = 0.0031847 k( 43) = ( 0.4468085 -0.2579650 0.3648176), wk = 0.0031847 k( 44) = ( 0.4574468 -0.2641070 0.3735038), wk = 0.0031847 k( 45) = ( 0.4680851 -0.2702491 0.3821899), wk = 0.0031847 k( 46) = ( 0.4787234 -0.2763911 0.3908760), wk = 0.0031847 k( 47) = ( 0.4893617 -0.2825331 0.3995622), wk = 0.0031847 k( 48) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031847 k( 49) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031847 k( 50) = ( 0.5000000 -0.2766470 0.4167535), wk = 0.0031847 k( 51) = ( 0.5000000 -0.2646189 0.4252586), wk = 0.0031847 k( 52) = ( 0.5000000 -0.2525907 0.4337638), wk = 0.0031847 k( 53) = ( 0.5000000 -0.2405626 0.4422690), wk = 0.0031847 k( 54) = ( 0.5000000 -0.2285345 0.4507742), wk = 0.0031847 k( 55) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0031847 k( 56) = ( 0.5000000 -0.2044782 0.4677845), wk = 0.0031847 k( 57) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0031847 k( 58) = ( 0.5000000 -0.1804220 0.4847948), wk = 0.0031847 k( 59) = ( 0.5000000 -0.1683938 0.4933000), wk = 0.0031847 k( 60) = ( 0.5000000 -0.1563657 0.5018052), wk = 0.0031847 k( 61) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0031847 k( 62) = ( 0.5000000 -0.1323094 0.5188155), wk = 0.0031847 k( 63) = ( 0.5000000 -0.1202813 0.5273207), wk = 0.0031847 k( 64) = ( 0.5000000 -0.1082532 0.5358259), wk = 0.0031847 k( 65) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0031847 k( 66) = ( 0.5000000 -0.0841969 0.5528362), wk = 0.0031847 k( 67) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0031847 k( 68) = ( 0.5000000 -0.0601406 0.5698466), wk = 0.0031847 k( 69) = ( 0.5000000 -0.0481125 0.5783517), wk = 0.0031847 k( 70) = ( 0.5000000 -0.0360844 0.5868569), wk = 0.0031847 k( 71) = ( 0.5000000 -0.0240563 0.5953621), wk = 0.0031847 k( 72) = ( 0.5000000 -0.0120281 0.6038673), wk = 0.0031847 k( 73) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0031847 k( 74) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0031847 k( 75) = ( 0.4926471 0.0127357 0.6123724), wk = 0.0031847 k( 76) = ( 0.4852941 0.0254713 0.6123724), wk = 0.0031847 k( 77) = ( 0.4779412 0.0382070 0.6123724), wk = 0.0031847 k( 78) = ( 0.4705882 0.0509427 0.6123724), wk = 0.0031847 k( 79) = ( 0.4632353 0.0636783 0.6123724), wk = 0.0031847 k( 80) = ( 0.4558823 0.0764140 0.6123724), wk = 0.0031847 k( 81) = ( 0.4485294 0.0891497 0.6123724), wk = 0.0031847 k( 82) = ( 0.4411765 0.1018853 0.6123724), wk = 0.0031847 k( 83) = ( 0.4338235 0.1146210 0.6123724), wk = 0.0031847 k( 84) = ( 0.4264706 0.1273567 0.6123724), wk = 0.0031847 k( 85) = ( 0.4191177 0.1400923 0.6123724), wk = 0.0031847 k( 86) = ( 0.4117647 0.1528280 0.6123724), wk = 0.0031847 k( 87) = ( 0.4044118 0.1655637 0.6123724), wk = 0.0031847 k( 88) = ( 0.3970588 0.1782994 0.6123724), wk = 0.0031847 k( 89) = ( 0.3897059 0.1910350 0.6123724), wk = 0.0031847 k( 90) = ( 0.3823529 0.2037707 0.6123724), wk = 0.0031847 k( 91) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031847 k( 92) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031847 k( 93) = ( 0.3675000 0.2121762 0.6001250), wk = 0.0031847 k( 94) = ( 0.3600000 0.2078461 0.5878775), wk = 0.0031847 k( 95) = ( 0.3525000 0.2035160 0.5756301), wk = 0.0031847 k( 96) = ( 0.3450000 0.1991858 0.5633826), wk = 0.0031847 k( 97) = ( 0.3375000 0.1948557 0.5511352), wk = 0.0031847 k( 98) = ( 0.3300000 0.1905256 0.5388877), wk = 0.0031847 k( 99) = ( 0.3225000 0.1861955 0.5266403), wk = 0.0031847 k( 100) = ( 0.3150000 0.1818653 0.5143928), wk = 0.0031847 k( 101) = ( 0.3075000 0.1775352 0.5021454), wk = 0.0031847 k( 102) = ( 0.3000000 0.1732051 0.4898979), wk = 0.0031847 k( 103) = ( 0.2925000 0.1688750 0.4776505), wk = 0.0031847 k( 104) = ( 0.2850000 0.1645448 0.4654031), wk = 0.0031847 k( 105) = ( 0.2775000 0.1602147 0.4531556), wk = 0.0031847 k( 106) = ( 0.2700000 0.1558846 0.4409082), wk = 0.0031847 k( 107) = ( 0.2625000 0.1515544 0.4286607), wk = 0.0031847 k( 108) = ( 0.2550000 0.1472243 0.4164133), wk = 0.0031847 k( 109) = ( 0.2475000 0.1428942 0.4041658), wk = 0.0031847 k( 110) = ( 0.2400000 0.1385641 0.3919184), wk = 0.0031847 k( 111) = ( 0.2325000 0.1342339 0.3796709), wk = 0.0031847 k( 112) = ( 0.2250000 0.1299038 0.3674235), wk = 0.0031847 k( 113) = ( 0.2175000 0.1255737 0.3551760), wk = 0.0031847 k( 114) = ( 0.2100000 0.1212436 0.3429286), wk = 0.0031847 k( 115) = ( 0.2025000 0.1169134 0.3306811), wk = 0.0031847 k( 116) = ( 0.1950000 0.1125833 0.3184337), wk = 0.0031847 k( 117) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0031847 k( 118) = ( 0.1800000 0.1039230 0.2939388), wk = 0.0031847 k( 119) = ( 0.1725000 0.0995929 0.2816913), wk = 0.0031847 k( 120) = ( 0.1650000 0.0952628 0.2694439), wk = 0.0031847 k( 121) = ( 0.1575000 0.0909327 0.2571964), wk = 0.0031847 k( 122) = ( 0.1500000 0.0866025 0.2449490), wk = 0.0031847 k( 123) = ( 0.1425000 0.0822724 0.2327015), wk = 0.0031847 k( 124) = ( 0.1350000 0.0779423 0.2204541), wk = 0.0031847 k( 125) = ( 0.1275000 0.0736122 0.2082066), wk = 0.0031847 k( 126) = ( 0.1200000 0.0692820 0.1959592), wk = 0.0031847 k( 127) = ( 0.1125000 0.0649519 0.1837117), wk = 0.0031847 k( 128) = ( 0.1050000 0.0606218 0.1714643), wk = 0.0031847 k( 129) = ( 0.0975000 0.0562917 0.1592168), wk = 0.0031847 k( 130) = ( 0.0900000 0.0519615 0.1469694), wk = 0.0031847 k( 131) = ( 0.0825000 0.0476314 0.1347219), wk = 0.0031847 k( 132) = ( 0.0750000 0.0433013 0.1224745), wk = 0.0031847 k( 133) = ( 0.0675000 0.0389711 0.1102270), wk = 0.0031847 k( 134) = ( 0.0600000 0.0346410 0.0979796), wk = 0.0031847 k( 135) = ( 0.0525000 0.0303109 0.0857321), wk = 0.0031847 k( 136) = ( 0.0450000 0.0259808 0.0734847), wk = 0.0031847 k( 137) = ( 0.0375000 0.0216506 0.0612372), wk = 0.0031847 k( 138) = ( 0.0300000 0.0173205 0.0489898), wk = 0.0031847 k( 139) = ( 0.0225000 0.0129904 0.0367423), wk = 0.0031847 k( 140) = ( 0.0150000 0.0086603 0.0244949), wk = 0.0031847 k( 141) = ( 0.0075000 0.0043301 0.0122474), wk = 0.0031847 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031847 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031847 k( 144) = ( 0.0121951 0.0070409 0.0049786), wk = 0.0031847 k( 145) = ( 0.0243902 0.0140817 0.0099573), wk = 0.0031847 k( 146) = ( 0.0365854 0.0211226 0.0149359), wk = 0.0031847 k( 147) = ( 0.0487805 0.0281634 0.0199146), wk = 0.0031847 k( 148) = ( 0.0609756 0.0352043 0.0248932), wk = 0.0031847 k( 149) = ( 0.0731707 0.0422451 0.0298718), wk = 0.0031847 k( 150) = ( 0.0853658 0.0492860 0.0348505), wk = 0.0031847 k( 151) = ( 0.0975610 0.0563269 0.0398291), wk = 0.0031847 k( 152) = ( 0.1097561 0.0633677 0.0448077), wk = 0.0031847 k( 153) = ( 0.1219512 0.0704086 0.0497864), wk = 0.0031847 k( 154) = ( 0.1341463 0.0774494 0.0547650), wk = 0.0031847 k( 155) = ( 0.1463415 0.0844903 0.0597437), wk = 0.0031847 k( 156) = ( 0.1585366 0.0915311 0.0647223), wk = 0.0031847 k( 157) = ( 0.1707317 0.0985720 0.0697009), wk = 0.0031847 k( 158) = ( 0.1829268 0.1056129 0.0746796), wk = 0.0031847 k( 159) = ( 0.1951219 0.1126537 0.0796582), wk = 0.0031847 k( 160) = ( 0.2073171 0.1196946 0.0846368), wk = 0.0031847 k( 161) = ( 0.2195122 0.1267354 0.0896155), wk = 0.0031847 k( 162) = ( 0.2317073 0.1337763 0.0945941), wk = 0.0031847 k( 163) = ( 0.2439024 0.1408171 0.0995728), wk = 0.0031847 k( 164) = ( 0.2560976 0.1478580 0.1045514), wk = 0.0031847 k( 165) = ( 0.2682927 0.1548989 0.1095300), wk = 0.0031847 k( 166) = ( 0.2804878 0.1619397 0.1145087), wk = 0.0031847 k( 167) = ( 0.2926829 0.1689806 0.1194873), wk = 0.0031847 k( 168) = ( 0.3048781 0.1760214 0.1244659), wk = 0.0031847 k( 169) = ( 0.3170732 0.1830623 0.1294446), wk = 0.0031847 k( 170) = ( 0.3292683 0.1901031 0.1344232), wk = 0.0031847 k( 171) = ( 0.3414634 0.1971440 0.1394019), wk = 0.0031847 k( 172) = ( 0.3536585 0.2041849 0.1443805), wk = 0.0031847 k( 173) = ( 0.3658537 0.2112257 0.1493591), wk = 0.0031847 k( 174) = ( 0.3780488 0.2182666 0.1543378), wk = 0.0031847 k( 175) = ( 0.3902439 0.2253074 0.1593164), wk = 0.0031847 k( 176) = ( 0.4024390 0.2323483 0.1642950), wk = 0.0031847 k( 177) = ( 0.4146341 0.2393891 0.1692737), wk = 0.0031847 k( 178) = ( 0.4268293 0.2464300 0.1742523), wk = 0.0031847 k( 179) = ( 0.4390244 0.2534708 0.1792310), wk = 0.0031847 k( 180) = ( 0.4512195 0.2605117 0.1842096), wk = 0.0031847 k( 181) = ( 0.4634146 0.2675526 0.1891882), wk = 0.0031847 k( 182) = ( 0.4756098 0.2745934 0.1941669), wk = 0.0031847 k( 183) = ( 0.4878049 0.2816343 0.1991455), wk = 0.0031847 k( 184) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031847 k( 185) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031847 k( 186) = ( 0.5043103 0.2762322 0.2111629), wk = 0.0031847 k( 187) = ( 0.5086207 0.2637893 0.2182017), wk = 0.0031847 k( 188) = ( 0.5129310 0.2513465 0.2252404), wk = 0.0031847 k( 189) = ( 0.5172414 0.2389036 0.2322792), wk = 0.0031847 k( 190) = ( 0.5215517 0.2264607 0.2393180), wk = 0.0031847 k( 191) = ( 0.5258621 0.2140178 0.2463567), wk = 0.0031847 k( 192) = ( 0.5301724 0.2015749 0.2533955), wk = 0.0031847 k( 193) = ( 0.5344828 0.1891320 0.2604343), wk = 0.0031847 k( 194) = ( 0.5387931 0.1766891 0.2674730), wk = 0.0031847 k( 195) = ( 0.5431035 0.1642462 0.2745118), wk = 0.0031847 k( 196) = ( 0.5474138 0.1518033 0.2815505), wk = 0.0031847 k( 197) = ( 0.5517241 0.1393604 0.2885893), wk = 0.0031847 k( 198) = ( 0.5560345 0.1269175 0.2956281), wk = 0.0031847 k( 199) = ( 0.5603448 0.1144746 0.3026668), wk = 0.0031847 k( 200) = ( 0.5646552 0.1020317 0.3097056), wk = 0.0031847 k( 201) = ( 0.5689655 0.0895888 0.3167444), wk = 0.0031847 k( 202) = ( 0.5732759 0.0771459 0.3237831), wk = 0.0031847 k( 203) = ( 0.5775862 0.0647030 0.3308219), wk = 0.0031847 k( 204) = ( 0.5818965 0.0522602 0.3378607), wk = 0.0031847 k( 205) = ( 0.5862069 0.0398173 0.3448994), wk = 0.0031847 k( 206) = ( 0.5905172 0.0273744 0.3519382), wk = 0.0031847 k( 207) = ( 0.5948276 0.0149315 0.3589769), wk = 0.0031847 k( 208) = ( 0.5991379 0.0024886 0.3660157), wk = 0.0031847 k( 209) = ( 0.6034483 -0.0099543 0.3730545), wk = 0.0031847 k( 210) = ( 0.6077586 -0.0223972 0.3800932), wk = 0.0031847 k( 211) = ( 0.6120690 -0.0348401 0.3871320), wk = 0.0031847 k( 212) = ( 0.6163793 -0.0472830 0.3941708), wk = 0.0031847 k( 213) = ( 0.6206897 -0.0597259 0.4012095), wk = 0.0031847 k( 214) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031847 k( 215) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031847 k( 216) = ( 0.6176471 -0.0679236 0.4202556), wk = 0.0031847 k( 217) = ( 0.6102941 -0.0636783 0.4322629), wk = 0.0031847 k( 218) = ( 0.6029412 -0.0594331 0.4442702), wk = 0.0031847 k( 219) = ( 0.5955882 -0.0551879 0.4562775), wk = 0.0031847 k( 220) = ( 0.5882353 -0.0509427 0.4682848), wk = 0.0031847 k( 221) = ( 0.5808823 -0.0466974 0.4802921), wk = 0.0031847 k( 222) = ( 0.5735294 -0.0424522 0.4922994), wk = 0.0031847 k( 223) = ( 0.5661765 -0.0382070 0.5043067), wk = 0.0031847 k( 224) = ( 0.5588235 -0.0339618 0.5163140), wk = 0.0031847 k( 225) = ( 0.5514706 -0.0297166 0.5283213), wk = 0.0031847 k( 226) = ( 0.5441177 -0.0254713 0.5403286), wk = 0.0031847 k( 227) = ( 0.5367647 -0.0212261 0.5523359), wk = 0.0031847 k( 228) = ( 0.5294118 -0.0169809 0.5643432), wk = 0.0031847 k( 229) = ( 0.5220588 -0.0127357 0.5763505), wk = 0.0031847 k( 230) = ( 0.5147059 -0.0084904 0.5883578), wk = 0.0031847 k( 231) = ( 0.5073529 -0.0042452 0.6003651), wk = 0.0031847 k( 232) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0031847 k( 233) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0031847 k( 234) = ( 0.5000000 0.0087477 0.6000013), wk = 0.0031847 k( 235) = ( 0.5000000 0.0174955 0.5876301), wk = 0.0031847 k( 236) = ( 0.5000000 0.0262432 0.5752590), wk = 0.0031847 k( 237) = ( 0.5000000 0.0349909 0.5628878), wk = 0.0031847 k( 238) = ( 0.5000000 0.0437387 0.5505166), wk = 0.0031847 k( 239) = ( 0.5000000 0.0524864 0.5381455), wk = 0.0031847 k( 240) = ( 0.5000000 0.0612341 0.5257743), wk = 0.0031847 k( 241) = ( 0.5000000 0.0699819 0.5134032), wk = 0.0031847 k( 242) = ( 0.5000000 0.0787296 0.5010320), wk = 0.0031847 k( 243) = ( 0.5000000 0.0874773 0.4886608), wk = 0.0031847 k( 244) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0031847 k( 245) = ( 0.5000000 0.1049728 0.4639185), wk = 0.0031847 k( 246) = ( 0.5000000 0.1137205 0.4515473), wk = 0.0031847 k( 247) = ( 0.5000000 0.1224682 0.4391762), wk = 0.0031847 k( 248) = ( 0.5000000 0.1312160 0.4268050), wk = 0.0031847 k( 249) = ( 0.5000000 0.1399637 0.4144339), wk = 0.0031847 k( 250) = ( 0.5000000 0.1487114 0.4020627), wk = 0.0031847 k( 251) = ( 0.5000000 0.1574592 0.3896915), wk = 0.0031847 k( 252) = ( 0.5000000 0.1662069 0.3773204), wk = 0.0031847 k( 253) = ( 0.5000000 0.1749546 0.3649492), wk = 0.0031847 k( 254) = ( 0.5000000 0.1837024 0.3525781), wk = 0.0031847 k( 255) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0031847 k( 256) = ( 0.5000000 0.2011978 0.3278358), wk = 0.0031847 k( 257) = ( 0.5000000 0.2099456 0.3154646), wk = 0.0031847 k( 258) = ( 0.5000000 0.2186933 0.3030934), wk = 0.0031847 k( 259) = ( 0.5000000 0.2274410 0.2907223), wk = 0.0031847 k( 260) = ( 0.5000000 0.2361887 0.2783511), wk = 0.0031847 k( 261) = ( 0.5000000 0.2449365 0.2659800), wk = 0.0031847 k( 262) = ( 0.5000000 0.2536842 0.2536088), wk = 0.0031847 k( 263) = ( 0.5000000 0.2624319 0.2412376), wk = 0.0031847 k( 264) = ( 0.5000000 0.2711797 0.2288665), wk = 0.0031847 k( 265) = ( 0.5000000 0.2799274 0.2164953), wk = 0.0031847 k( 266) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031847 k( 267) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031847 k( 268) = ( 0.4956897 0.2861866 0.2182017), wk = 0.0031847 k( 269) = ( 0.4913793 0.2836980 0.2322792), wk = 0.0031847 k( 270) = ( 0.4870690 0.2812094 0.2463567), wk = 0.0031847 k( 271) = ( 0.4827586 0.2787208 0.2604343), wk = 0.0031847 k( 272) = ( 0.4784483 0.2762322 0.2745118), wk = 0.0031847 k( 273) = ( 0.4741379 0.2737437 0.2885893), wk = 0.0031847 k( 274) = ( 0.4698276 0.2712551 0.3026668), wk = 0.0031847 k( 275) = ( 0.4655172 0.2687665 0.3167444), wk = 0.0031847 k( 276) = ( 0.4612069 0.2662779 0.3308219), wk = 0.0031847 k( 277) = ( 0.4568966 0.2637893 0.3448994), wk = 0.0031847 k( 278) = ( 0.4525862 0.2613008 0.3589769), wk = 0.0031847 k( 279) = ( 0.4482759 0.2588122 0.3730545), wk = 0.0031847 k( 280) = ( 0.4439655 0.2563236 0.3871320), wk = 0.0031847 k( 281) = ( 0.4396552 0.2538350 0.4012095), wk = 0.0031847 k( 282) = ( 0.4353448 0.2513465 0.4152870), wk = 0.0031847 k( 283) = ( 0.4310345 0.2488579 0.4293646), wk = 0.0031847 k( 284) = ( 0.4267241 0.2463693 0.4434421), wk = 0.0031847 k( 285) = ( 0.4224138 0.2438807 0.4575196), wk = 0.0031847 k( 286) = ( 0.4181034 0.2413921 0.4715972), wk = 0.0031847 k( 287) = ( 0.4137931 0.2389036 0.4856747), wk = 0.0031847 k( 288) = ( 0.4094828 0.2364150 0.4997522), wk = 0.0031847 k( 289) = ( 0.4051724 0.2339264 0.5138297), wk = 0.0031847 k( 290) = ( 0.4008621 0.2314378 0.5279073), wk = 0.0031847 k( 291) = ( 0.3965517 0.2289492 0.5419848), wk = 0.0031847 k( 292) = ( 0.3922414 0.2264607 0.5560623), wk = 0.0031847 k( 293) = ( 0.3879310 0.2239721 0.5701399), wk = 0.0031847 k( 294) = ( 0.3836207 0.2214835 0.5842174), wk = 0.0031847 k( 295) = ( 0.3793103 0.2189949 0.5982949), wk = 0.0031847 k( 296) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031847 k( 297) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031847 k( 298) = ( 0.6176471 -0.0849044 0.4082483), wk = 0.0031847 k( 299) = ( 0.6102941 -0.0976401 0.4082483), wk = 0.0031847 k( 300) = ( 0.6029412 -0.1103758 0.4082483), wk = 0.0031847 k( 301) = ( 0.5955882 -0.1231115 0.4082483), wk = 0.0031847 k( 302) = ( 0.5882353 -0.1358471 0.4082483), wk = 0.0031847 k( 303) = ( 0.5808823 -0.1485828 0.4082483), wk = 0.0031847 k( 304) = ( 0.5735294 -0.1613185 0.4082483), wk = 0.0031847 k( 305) = ( 0.5661765 -0.1740541 0.4082483), wk = 0.0031847 k( 306) = ( 0.5588235 -0.1867898 0.4082483), wk = 0.0031847 k( 307) = ( 0.5514706 -0.1995255 0.4082483), wk = 0.0031847 k( 308) = ( 0.5441177 -0.2122611 0.4082483), wk = 0.0031847 k( 309) = ( 0.5367647 -0.2249968 0.4082483), wk = 0.0031847 k( 310) = ( 0.5294118 -0.2377325 0.4082483), wk = 0.0031847 k( 311) = ( 0.5220588 -0.2504681 0.4082483), wk = 0.0031847 k( 312) = ( 0.5147059 -0.2632038 0.4082483), wk = 0.0031847 k( 313) = ( 0.5073529 -0.2759395 0.4082483), wk = 0.0031847 k( 314) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031847 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031847 k( 2) = ( 0.0106383 -0.0000000 0.0106383), wk = 0.0031847 k( 3) = ( 0.0212766 -0.0000000 0.0212766), wk = 0.0031847 k( 4) = ( 0.0319149 -0.0000000 0.0319149), wk = 0.0031847 k( 5) = ( 0.0425532 -0.0000000 0.0425532), wk = 0.0031847 k( 6) = ( 0.0531915 0.0000000 0.0531915), wk = 0.0031847 k( 7) = ( 0.0638298 -0.0000000 0.0638298), wk = 0.0031847 k( 8) = ( 0.0744681 -0.0000000 0.0744681), wk = 0.0031847 k( 9) = ( 0.0851064 -0.0000000 0.0851064), wk = 0.0031847 k( 10) = ( 0.0957447 -0.0000000 0.0957447), wk = 0.0031847 k( 11) = ( 0.1063830 0.0000000 0.1063830), wk = 0.0031847 k( 12) = ( 0.1170213 -0.0000000 0.1170213), wk = 0.0031847 k( 13) = ( 0.1276596 -0.0000000 0.1276596), wk = 0.0031847 k( 14) = ( 0.1382979 -0.0000000 0.1382979), wk = 0.0031847 k( 15) = ( 0.1489362 -0.0000000 0.1489362), wk = 0.0031847 k( 16) = ( 0.1595745 -0.0000000 0.1595745), wk = 0.0031847 k( 17) = ( 0.1702128 -0.0000000 0.1702128), wk = 0.0031847 k( 18) = ( 0.1808511 -0.0000000 0.1808511), wk = 0.0031847 k( 19) = ( 0.1914894 -0.0000000 0.1914894), wk = 0.0031847 k( 20) = ( 0.2021277 -0.0000000 0.2021277), wk = 0.0031847 k( 21) = ( 0.2127660 0.0000000 0.2127660), wk = 0.0031847 k( 22) = ( 0.2234043 0.0000000 0.2234043), wk = 0.0031847 k( 23) = ( 0.2340425 -0.0000000 0.2340425), wk = 0.0031847 k( 24) = ( 0.2446809 0.0000000 0.2446808), wk = 0.0031847 k( 25) = ( 0.2553191 -0.0000000 0.2553191), wk = 0.0031847 k( 26) = ( 0.2659574 -0.0000000 0.2659574), wk = 0.0031847 k( 27) = ( 0.2765957 -0.0000000 0.2765957), wk = 0.0031847 k( 28) = ( 0.2872340 -0.0000000 0.2872340), wk = 0.0031847 k( 29) = ( 0.2978723 -0.0000000 0.2978723), wk = 0.0031847 k( 30) = ( 0.3085106 -0.0000000 0.3085106), wk = 0.0031847 k( 31) = ( 0.3191489 -0.0000000 0.3191489), wk = 0.0031847 k( 32) = ( 0.3297872 -0.0000000 0.3297872), wk = 0.0031847 k( 33) = ( 0.3404255 -0.0000000 0.3404255), wk = 0.0031847 k( 34) = ( 0.3510638 -0.0000000 0.3510638), wk = 0.0031847 k( 35) = ( 0.3617021 -0.0000000 0.3617021), wk = 0.0031847 k( 36) = ( 0.3723404 -0.0000000 0.3723404), wk = 0.0031847 k( 37) = ( 0.3829787 -0.0000000 0.3829787), wk = 0.0031847 k( 38) = ( 0.3936170 -0.0000000 0.3936170), wk = 0.0031847 k( 39) = ( 0.4042553 -0.0000000 0.4042553), wk = 0.0031847 k( 40) = ( 0.4148936 -0.0000000 0.4148936), wk = 0.0031847 k( 41) = ( 0.4255319 -0.0000000 0.4255319), wk = 0.0031847 k( 42) = ( 0.4361702 0.0000000 0.4361702), wk = 0.0031847 k( 43) = ( 0.4468085 0.0000000 0.4468085), wk = 0.0031847 k( 44) = ( 0.4574468 0.0000000 0.4574468), wk = 0.0031847 k( 45) = ( 0.4680851 -0.0000000 0.4680851), wk = 0.0031847 k( 46) = ( 0.4787234 0.0000000 0.4787234), wk = 0.0031847 k( 47) = ( 0.4893617 0.0000000 0.4893617), wk = 0.0031847 k( 48) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031847 k( 49) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031847 k( 50) = ( 0.5000000 0.0104167 0.5104167), wk = 0.0031847 k( 51) = ( 0.5000000 0.0208333 0.5208333), wk = 0.0031847 k( 52) = ( 0.5000000 0.0312500 0.5312500), wk = 0.0031847 k( 53) = ( 0.5000000 0.0416667 0.5416667), wk = 0.0031847 k( 54) = ( 0.5000000 0.0520833 0.5520833), wk = 0.0031847 k( 55) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0031847 k( 56) = ( 0.5000000 0.0729167 0.5729167), wk = 0.0031847 k( 57) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0031847 k( 58) = ( 0.5000000 0.0937500 0.5937500), wk = 0.0031847 k( 59) = ( 0.5000000 0.1041667 0.6041667), wk = 0.0031847 k( 60) = ( 0.5000000 0.1145833 0.6145833), wk = 0.0031847 k( 61) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0031847 k( 62) = ( 0.5000000 0.1354167 0.6354167), wk = 0.0031847 k( 63) = ( 0.5000000 0.1458333 0.6458333), wk = 0.0031847 k( 64) = ( 0.5000000 0.1562500 0.6562500), wk = 0.0031847 k( 65) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0031847 k( 66) = ( 0.5000000 0.1770833 0.6770833), wk = 0.0031847 k( 67) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0031847 k( 68) = ( 0.5000000 0.1979167 0.6979167), wk = 0.0031847 k( 69) = ( 0.5000000 0.2083333 0.7083333), wk = 0.0031847 k( 70) = ( 0.5000000 0.2187500 0.7187500), wk = 0.0031847 k( 71) = ( 0.5000000 0.2291667 0.7291667), wk = 0.0031847 k( 72) = ( 0.5000000 0.2395833 0.7395833), wk = 0.0031847 k( 73) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031847 k( 74) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031847 k( 75) = ( 0.4926471 0.2573529 0.7500000), wk = 0.0031847 k( 76) = ( 0.4852941 0.2647059 0.7500000), wk = 0.0031847 k( 77) = ( 0.4779412 0.2720588 0.7500000), wk = 0.0031847 k( 78) = ( 0.4705882 0.2794118 0.7500000), wk = 0.0031847 k( 79) = ( 0.4632353 0.2867647 0.7500000), wk = 0.0031847 k( 80) = ( 0.4558823 0.2941177 0.7500000), wk = 0.0031847 k( 81) = ( 0.4485294 0.3014706 0.7500000), wk = 0.0031847 k( 82) = ( 0.4411765 0.3088235 0.7500000), wk = 0.0031847 k( 83) = ( 0.4338235 0.3161765 0.7500000), wk = 0.0031847 k( 84) = ( 0.4264706 0.3235294 0.7500000), wk = 0.0031847 k( 85) = ( 0.4191177 0.3308823 0.7500000), wk = 0.0031847 k( 86) = ( 0.4117647 0.3382353 0.7500000), wk = 0.0031847 k( 87) = ( 0.4044118 0.3455882 0.7500000), wk = 0.0031847 k( 88) = ( 0.3970588 0.3529412 0.7500000), wk = 0.0031847 k( 89) = ( 0.3897059 0.3602941 0.7500000), wk = 0.0031847 k( 90) = ( 0.3823529 0.3676471 0.7500000), wk = 0.0031847 k( 91) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031847 k( 92) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031847 k( 93) = ( 0.3675000 0.3675000 0.7350000), wk = 0.0031847 k( 94) = ( 0.3600000 0.3600000 0.7200000), wk = 0.0031847 k( 95) = ( 0.3525000 0.3525000 0.7050000), wk = 0.0031847 k( 96) = ( 0.3450000 0.3450000 0.6900000), wk = 0.0031847 k( 97) = ( 0.3375000 0.3375000 0.6750000), wk = 0.0031847 k( 98) = ( 0.3300000 0.3300000 0.6600000), wk = 0.0031847 k( 99) = ( 0.3225000 0.3225000 0.6450000), wk = 0.0031847 k( 100) = ( 0.3150000 0.3150000 0.6300000), wk = 0.0031847 k( 101) = ( 0.3075000 0.3075000 0.6150000), wk = 0.0031847 k( 102) = ( 0.3000000 0.3000000 0.6000000), wk = 0.0031847 k( 103) = ( 0.2925000 0.2925000 0.5850000), wk = 0.0031847 k( 104) = ( 0.2850000 0.2850000 0.5700000), wk = 0.0031847 k( 105) = ( 0.2775000 0.2775000 0.5550000), wk = 0.0031847 k( 106) = ( 0.2700000 0.2700000 0.5400000), wk = 0.0031847 k( 107) = ( 0.2625000 0.2625000 0.5250000), wk = 0.0031847 k( 108) = ( 0.2550000 0.2550000 0.5100000), wk = 0.0031847 k( 109) = ( 0.2475000 0.2475000 0.4950000), wk = 0.0031847 k( 110) = ( 0.2400000 0.2400000 0.4800000), wk = 0.0031847 k( 111) = ( 0.2325000 0.2325000 0.4650000), wk = 0.0031847 k( 112) = ( 0.2250000 0.2250000 0.4500000), wk = 0.0031847 k( 113) = ( 0.2175000 0.2175000 0.4350000), wk = 0.0031847 k( 114) = ( 0.2100000 0.2100000 0.4200000), wk = 0.0031847 k( 115) = ( 0.2025000 0.2025000 0.4050000), wk = 0.0031847 k( 116) = ( 0.1950000 0.1950000 0.3900000), wk = 0.0031847 k( 117) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0031847 k( 118) = ( 0.1800000 0.1800000 0.3600000), wk = 0.0031847 k( 119) = ( 0.1725000 0.1725000 0.3450000), wk = 0.0031847 k( 120) = ( 0.1650000 0.1650000 0.3300000), wk = 0.0031847 k( 121) = ( 0.1575000 0.1575000 0.3150000), wk = 0.0031847 k( 122) = ( 0.1500000 0.1500000 0.3000000), wk = 0.0031847 k( 123) = ( 0.1425000 0.1425000 0.2850000), wk = 0.0031847 k( 124) = ( 0.1350000 0.1350000 0.2700000), wk = 0.0031847 k( 125) = ( 0.1275000 0.1275000 0.2550000), wk = 0.0031847 k( 126) = ( 0.1200000 0.1200000 0.2400000), wk = 0.0031847 k( 127) = ( 0.1125000 0.1125000 0.2250000), wk = 0.0031847 k( 128) = ( 0.1050000 0.1050000 0.2100000), wk = 0.0031847 k( 129) = ( 0.0975000 0.0975000 0.1950000), wk = 0.0031847 k( 130) = ( 0.0900000 0.0900000 0.1800000), wk = 0.0031847 k( 131) = ( 0.0825000 0.0825000 0.1650000), wk = 0.0031847 k( 132) = ( 0.0750000 0.0750000 0.1500000), wk = 0.0031847 k( 133) = ( 0.0675000 0.0675000 0.1350000), wk = 0.0031847 k( 134) = ( 0.0600000 0.0600000 0.1200000), wk = 0.0031847 k( 135) = ( 0.0525000 0.0525000 0.1050000), wk = 0.0031847 k( 136) = ( 0.0450000 0.0450000 0.0900000), wk = 0.0031847 k( 137) = ( 0.0375000 0.0375000 0.0750000), wk = 0.0031847 k( 138) = ( 0.0300000 0.0300000 0.0600000), wk = 0.0031847 k( 139) = ( 0.0225000 0.0225000 0.0450000), wk = 0.0031847 k( 140) = ( 0.0150000 0.0150000 0.0300000), wk = 0.0031847 k( 141) = ( 0.0075000 0.0075000 0.0150000), wk = 0.0031847 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031847 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031847 k( 144) = ( 0.0121951 0.0121951 0.0121951), wk = 0.0031847 k( 145) = ( 0.0243902 0.0243902 0.0243902), wk = 0.0031847 k( 146) = ( 0.0365854 0.0365854 0.0365854), wk = 0.0031847 k( 147) = ( 0.0487805 0.0487805 0.0487805), wk = 0.0031847 k( 148) = ( 0.0609756 0.0609756 0.0609756), wk = 0.0031847 k( 149) = ( 0.0731707 0.0731707 0.0731707), wk = 0.0031847 k( 150) = ( 0.0853658 0.0853658 0.0853658), wk = 0.0031847 k( 151) = ( 0.0975610 0.0975610 0.0975610), wk = 0.0031847 k( 152) = ( 0.1097561 0.1097561 0.1097561), wk = 0.0031847 k( 153) = ( 0.1219512 0.1219512 0.1219512), wk = 0.0031847 k( 154) = ( 0.1341463 0.1341463 0.1341463), wk = 0.0031847 k( 155) = ( 0.1463415 0.1463415 0.1463415), wk = 0.0031847 k( 156) = ( 0.1585366 0.1585366 0.1585366), wk = 0.0031847 k( 157) = ( 0.1707317 0.1707317 0.1707317), wk = 0.0031847 k( 158) = ( 0.1829268 0.1829268 0.1829268), wk = 0.0031847 k( 159) = ( 0.1951219 0.1951219 0.1951219), wk = 0.0031847 k( 160) = ( 0.2073171 0.2073171 0.2073171), wk = 0.0031847 k( 161) = ( 0.2195122 0.2195122 0.2195122), wk = 0.0031847 k( 162) = ( 0.2317073 0.2317073 0.2317073), wk = 0.0031847 k( 163) = ( 0.2439024 0.2439024 0.2439024), wk = 0.0031847 k( 164) = ( 0.2560976 0.2560976 0.2560976), wk = 0.0031847 k( 165) = ( 0.2682927 0.2682927 0.2682927), wk = 0.0031847 k( 166) = ( 0.2804878 0.2804878 0.2804878), wk = 0.0031847 k( 167) = ( 0.2926829 0.2926829 0.2926829), wk = 0.0031847 k( 168) = ( 0.3048781 0.3048781 0.3048781), wk = 0.0031847 k( 169) = ( 0.3170732 0.3170732 0.3170732), wk = 0.0031847 k( 170) = ( 0.3292683 0.3292683 0.3292683), wk = 0.0031847 k( 171) = ( 0.3414634 0.3414634 0.3414634), wk = 0.0031847 k( 172) = ( 0.3536585 0.3536585 0.3536585), wk = 0.0031847 k( 173) = ( 0.3658537 0.3658537 0.3658537), wk = 0.0031847 k( 174) = ( 0.3780488 0.3780488 0.3780488), wk = 0.0031847 k( 175) = ( 0.3902439 0.3902439 0.3902439), wk = 0.0031847 k( 176) = ( 0.4024390 0.4024390 0.4024390), wk = 0.0031847 k( 177) = ( 0.4146341 0.4146341 0.4146341), wk = 0.0031847 k( 178) = ( 0.4268293 0.4268293 0.4268293), wk = 0.0031847 k( 179) = ( 0.4390244 0.4390244 0.4390244), wk = 0.0031847 k( 180) = ( 0.4512195 0.4512195 0.4512195), wk = 0.0031847 k( 181) = ( 0.4634146 0.4634146 0.4634146), wk = 0.0031847 k( 182) = ( 0.4756098 0.4756098 0.4756098), wk = 0.0031847 k( 183) = ( 0.4878049 0.4878049 0.4878049), wk = 0.0031847 k( 184) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031847 k( 185) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031847 k( 186) = ( 0.5043103 0.4913793 0.5043103), wk = 0.0031847 k( 187) = ( 0.5086207 0.4827586 0.5086207), wk = 0.0031847 k( 188) = ( 0.5129310 0.4741379 0.5129310), wk = 0.0031847 k( 189) = ( 0.5172414 0.4655172 0.5172414), wk = 0.0031847 k( 190) = ( 0.5215517 0.4568966 0.5215517), wk = 0.0031847 k( 191) = ( 0.5258621 0.4482759 0.5258621), wk = 0.0031847 k( 192) = ( 0.5301724 0.4396552 0.5301724), wk = 0.0031847 k( 193) = ( 0.5344828 0.4310345 0.5344828), wk = 0.0031847 k( 194) = ( 0.5387931 0.4224138 0.5387931), wk = 0.0031847 k( 195) = ( 0.5431035 0.4137931 0.5431034), wk = 0.0031847 k( 196) = ( 0.5474138 0.4051724 0.5474138), wk = 0.0031847 k( 197) = ( 0.5517241 0.3965517 0.5517241), wk = 0.0031847 k( 198) = ( 0.5560345 0.3879310 0.5560345), wk = 0.0031847 k( 199) = ( 0.5603448 0.3793103 0.5603448), wk = 0.0031847 k( 200) = ( 0.5646552 0.3706897 0.5646552), wk = 0.0031847 k( 201) = ( 0.5689655 0.3620690 0.5689655), wk = 0.0031847 k( 202) = ( 0.5732759 0.3534483 0.5732759), wk = 0.0031847 k( 203) = ( 0.5775862 0.3448276 0.5775862), wk = 0.0031847 k( 204) = ( 0.5818965 0.3362069 0.5818965), wk = 0.0031847 k( 205) = ( 0.5862069 0.3275862 0.5862069), wk = 0.0031847 k( 206) = ( 0.5905172 0.3189655 0.5905172), wk = 0.0031847 k( 207) = ( 0.5948276 0.3103448 0.5948276), wk = 0.0031847 k( 208) = ( 0.5991379 0.3017241 0.5991379), wk = 0.0031847 k( 209) = ( 0.6034483 0.2931034 0.6034483), wk = 0.0031847 k( 210) = ( 0.6077586 0.2844828 0.6077586), wk = 0.0031847 k( 211) = ( 0.6120690 0.2758621 0.6120690), wk = 0.0031847 k( 212) = ( 0.6163793 0.2672414 0.6163793), wk = 0.0031847 k( 213) = ( 0.6206897 0.2586207 0.6206897), wk = 0.0031847 k( 214) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031847 k( 215) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031847 k( 216) = ( 0.6176471 0.2500000 0.6323529), wk = 0.0031847 k( 217) = ( 0.6102941 0.2500000 0.6397059), wk = 0.0031847 k( 218) = ( 0.6029412 0.2500000 0.6470588), wk = 0.0031847 k( 219) = ( 0.5955882 0.2500000 0.6544118), wk = 0.0031847 k( 220) = ( 0.5882353 0.2500000 0.6617647), wk = 0.0031847 k( 221) = ( 0.5808823 0.2500000 0.6691177), wk = 0.0031847 k( 222) = ( 0.5735294 0.2500000 0.6764706), wk = 0.0031847 k( 223) = ( 0.5661765 0.2500000 0.6838235), wk = 0.0031847 k( 224) = ( 0.5588235 0.2500000 0.6911765), wk = 0.0031847 k( 225) = ( 0.5514706 0.2500000 0.6985294), wk = 0.0031847 k( 226) = ( 0.5441177 0.2500000 0.7058823), wk = 0.0031847 k( 227) = ( 0.5367647 0.2500000 0.7132353), wk = 0.0031847 k( 228) = ( 0.5294118 0.2500000 0.7205882), wk = 0.0031847 k( 229) = ( 0.5220588 0.2500000 0.7279412), wk = 0.0031847 k( 230) = ( 0.5147059 0.2500000 0.7352941), wk = 0.0031847 k( 231) = ( 0.5073529 0.2500000 0.7426471), wk = 0.0031847 k( 232) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031847 k( 233) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031847 k( 234) = ( 0.5000000 0.2575758 0.7424242), wk = 0.0031847 k( 235) = ( 0.5000000 0.2651515 0.7348485), wk = 0.0031847 k( 236) = ( 0.5000000 0.2727273 0.7272727), wk = 0.0031847 k( 237) = ( 0.5000000 0.2803030 0.7196970), wk = 0.0031847 k( 238) = ( 0.5000000 0.2878788 0.7121212), wk = 0.0031847 k( 239) = ( 0.5000000 0.2954545 0.7045455), wk = 0.0031847 k( 240) = ( 0.5000000 0.3030303 0.6969697), wk = 0.0031847 k( 241) = ( 0.5000000 0.3106061 0.6893939), wk = 0.0031847 k( 242) = ( 0.5000000 0.3181818 0.6818182), wk = 0.0031847 k( 243) = ( 0.5000000 0.3257576 0.6742424), wk = 0.0031847 k( 244) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0031847 k( 245) = ( 0.5000000 0.3409091 0.6590909), wk = 0.0031847 k( 246) = ( 0.5000000 0.3484849 0.6515151), wk = 0.0031847 k( 247) = ( 0.5000000 0.3560606 0.6439394), wk = 0.0031847 k( 248) = ( 0.5000000 0.3636364 0.6363636), wk = 0.0031847 k( 249) = ( 0.5000000 0.3712121 0.6287879), wk = 0.0031847 k( 250) = ( 0.5000000 0.3787879 0.6212121), wk = 0.0031847 k( 251) = ( 0.5000000 0.3863636 0.6136364), wk = 0.0031847 k( 252) = ( 0.5000000 0.3939394 0.6060606), wk = 0.0031847 k( 253) = ( 0.5000000 0.4015151 0.5984848), wk = 0.0031847 k( 254) = ( 0.5000000 0.4090909 0.5909091), wk = 0.0031847 k( 255) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0031847 k( 256) = ( 0.5000000 0.4242424 0.5757576), wk = 0.0031847 k( 257) = ( 0.5000000 0.4318182 0.5681818), wk = 0.0031847 k( 258) = ( 0.5000000 0.4393939 0.5606061), wk = 0.0031847 k( 259) = ( 0.5000000 0.4469697 0.5530303), wk = 0.0031847 k( 260) = ( 0.5000000 0.4545455 0.5454545), wk = 0.0031847 k( 261) = ( 0.5000000 0.4621212 0.5378788), wk = 0.0031847 k( 262) = ( 0.5000000 0.4696970 0.5303030), wk = 0.0031847 k( 263) = ( 0.5000000 0.4772727 0.5227273), wk = 0.0031847 k( 264) = ( 0.5000000 0.4848485 0.5151515), wk = 0.0031847 k( 265) = ( 0.5000000 0.4924242 0.5075758), wk = 0.0031847 k( 266) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031847 k( 267) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031847 k( 268) = ( 0.4956897 0.4956897 0.5086207), wk = 0.0031847 k( 269) = ( 0.4913793 0.4913793 0.5172414), wk = 0.0031847 k( 270) = ( 0.4870690 0.4870690 0.5258621), wk = 0.0031847 k( 271) = ( 0.4827586 0.4827586 0.5344828), wk = 0.0031847 k( 272) = ( 0.4784483 0.4784483 0.5431034), wk = 0.0031847 k( 273) = ( 0.4741379 0.4741379 0.5517241), wk = 0.0031847 k( 274) = ( 0.4698276 0.4698276 0.5603448), wk = 0.0031847 k( 275) = ( 0.4655172 0.4655172 0.5689655), wk = 0.0031847 k( 276) = ( 0.4612069 0.4612069 0.5775862), wk = 0.0031847 k( 277) = ( 0.4568966 0.4568966 0.5862069), wk = 0.0031847 k( 278) = ( 0.4525862 0.4525862 0.5948276), wk = 0.0031847 k( 279) = ( 0.4482759 0.4482759 0.6034483), wk = 0.0031847 k( 280) = ( 0.4439655 0.4439655 0.6120690), wk = 0.0031847 k( 281) = ( 0.4396552 0.4396552 0.6206897), wk = 0.0031847 k( 282) = ( 0.4353448 0.4353448 0.6293103), wk = 0.0031847 k( 283) = ( 0.4310345 0.4310345 0.6379310), wk = 0.0031847 k( 284) = ( 0.4267241 0.4267241 0.6465517), wk = 0.0031847 k( 285) = ( 0.4224138 0.4224138 0.6551724), wk = 0.0031847 k( 286) = ( 0.4181034 0.4181034 0.6637931), wk = 0.0031847 k( 287) = ( 0.4137931 0.4137931 0.6724138), wk = 0.0031847 k( 288) = ( 0.4094828 0.4094828 0.6810345), wk = 0.0031847 k( 289) = ( 0.4051724 0.4051724 0.6896552), wk = 0.0031847 k( 290) = ( 0.4008621 0.4008621 0.6982759), wk = 0.0031847 k( 291) = ( 0.3965517 0.3965517 0.7068965), wk = 0.0031847 k( 292) = ( 0.3922414 0.3922414 0.7155172), wk = 0.0031847 k( 293) = ( 0.3879310 0.3879310 0.7241379), wk = 0.0031847 k( 294) = ( 0.3836207 0.3836207 0.7327586), wk = 0.0031847 k( 295) = ( 0.3793103 0.3793103 0.7413793), wk = 0.0031847 k( 296) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031847 k( 297) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031847 k( 298) = ( 0.6176471 0.2352941 0.6176471), wk = 0.0031847 k( 299) = ( 0.6102941 0.2205882 0.6102941), wk = 0.0031847 k( 300) = ( 0.6029412 0.2058823 0.6029412), wk = 0.0031847 k( 301) = ( 0.5955882 0.1911765 0.5955882), wk = 0.0031847 k( 302) = ( 0.5882353 0.1764706 0.5882353), wk = 0.0031847 k( 303) = ( 0.5808823 0.1617647 0.5808823), wk = 0.0031847 k( 304) = ( 0.5735294 0.1470588 0.5735294), wk = 0.0031847 k( 305) = ( 0.5661765 0.1323529 0.5661765), wk = 0.0031847 k( 306) = ( 0.5588235 0.1176471 0.5588235), wk = 0.0031847 k( 307) = ( 0.5514706 0.1029412 0.5514706), wk = 0.0031847 k( 308) = ( 0.5441177 0.0882353 0.5441176), wk = 0.0031847 k( 309) = ( 0.5367647 0.0735294 0.5367647), wk = 0.0031847 k( 310) = ( 0.5294118 0.0588235 0.5294118), wk = 0.0031847 k( 311) = ( 0.5220588 0.0441176 0.5220588), wk = 0.0031847 k( 312) = ( 0.5147059 0.0294118 0.5147059), wk = 0.0031847 k( 313) = ( 0.5073529 0.0147059 0.5073529), wk = 0.0031847 k( 314) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031847 Dense grid: 66027 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 31415 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 228, 42) NL pseudopotentials 0.11 Mb ( 114, 62) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1835) G-vector shells 0.00 Mb ( 478) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.58 Mb ( 228, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.08 Mb ( 62, 2, 42) Check: negative/imaginary core charge= -0.000014 0.000000 The potential is recalculated from file : ./Mg2Sn.save/charge-density.dat Starting wfc are 38 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.8 secs Computing kpt #: 2 total cpu time spent up to now is 2.1 secs Computing kpt #: 3 total cpu time spent up to now is 2.3 secs Computing kpt #: 4 total cpu time spent up to now is 2.5 secs Computing kpt #: 5 total cpu time spent up to now is 2.7 secs Computing kpt #: 6 total cpu time spent up to now is 2.9 secs Computing kpt #: 7 total cpu time spent up to now is 3.2 secs Computing kpt #: 8 total cpu time spent up to now is 3.4 secs Computing kpt #: 9 total cpu time spent up to now is 3.6 secs Computing kpt #: 10 total cpu time spent up to now is 3.8 secs Computing kpt #: 11 total cpu time spent up to now is 4.1 secs Computing kpt #: 12 total cpu time spent up to now is 4.3 secs Computing kpt #: 13 total cpu time spent up to now is 4.5 secs Computing kpt #: 14 total cpu time spent up to now is 4.8 secs Computing kpt #: 15 total cpu time spent up to now is 5.1 secs Computing kpt #: 16 total cpu time spent up to now is 5.3 secs Computing kpt #: 17 total cpu time spent up to now is 5.6 secs Computing kpt #: 18 total cpu time spent up to now is 5.8 secs Computing kpt #: 19 total cpu time spent up to now is 6.1 secs Computing kpt #: 20 total cpu time spent up to now is 6.3 secs Computing kpt #: 21 total cpu time spent up to now is 6.6 secs Computing kpt #: 22 total cpu time spent up to now is 6.8 secs Computing kpt #: 23 total cpu time spent up to now is 7.1 secs Computing kpt #: 24 total cpu time spent up to now is 7.4 secs Computing kpt #: 25 total cpu time spent up to now is 7.6 secs Computing kpt #: 26 total cpu time spent up to now is 7.9 secs Computing kpt #: 27 total cpu time spent up to now is 8.2 secs Computing kpt #: 28 total cpu time spent up to now is 8.5 secs Computing kpt #: 29 total cpu time spent up to now is 8.8 secs Computing kpt #: 30 total cpu time spent up to now is 9.1 secs Computing kpt #: 31 total cpu time spent up to now is 9.3 secs Computing kpt #: 32 total cpu time spent up to now is 9.6 secs Computing kpt #: 33 total cpu time spent up to now is 9.9 secs Computing kpt #: 34 total cpu time spent up to now is 10.2 secs Computing kpt #: 35 total cpu time spent up to now is 10.4 secs Computing kpt #: 36 total cpu time spent up to now is 10.7 secs Computing kpt #: 37 total cpu time spent up to now is 11.0 secs Computing kpt #: 38 total cpu time spent up to now is 11.3 secs Computing kpt #: 39 total cpu time spent up to now is 11.6 secs Computing kpt #: 40 total cpu time spent up to now is 11.9 secs Computing kpt #: 41 total cpu time spent up to now is 12.1 secs Computing kpt #: 42 total cpu time spent up to now is 12.4 secs Computing kpt #: 43 total cpu time spent up to now is 12.7 secs Computing kpt #: 44 total cpu time spent up to now is 13.0 secs Computing kpt #: 45 total cpu time spent up to now is 13.4 secs Computing kpt #: 46 total cpu time spent up to now is 13.8 secs Computing kpt #: 47 total cpu time spent up to now is 14.1 secs Computing kpt #: 48 total cpu time spent up to now is 14.5 secs Computing kpt #: 49 total cpu time spent up to now is 15.0 secs Computing kpt #: 50 total cpu time spent up to now is 15.4 secs Computing kpt #: 51 total cpu time spent up to now is 15.7 secs Computing kpt #: 52 total cpu time spent up to now is 16.1 secs Computing kpt #: 53 total cpu time spent up to now is 16.4 secs Computing kpt #: 54 total cpu time spent up to now is 16.7 secs Computing kpt #: 55 total cpu time spent up to now is 17.0 secs Computing kpt #: 56 total cpu time spent up to now is 17.3 secs Computing kpt #: 57 total cpu time spent up to now is 17.6 secs Computing kpt #: 58 total cpu time spent up to now is 17.9 secs Computing kpt #: 59 total cpu time spent up to now is 18.1 secs Computing kpt #: 60 total cpu time spent up to now is 18.4 secs Computing kpt #: 61 total cpu time spent up to now is 18.6 secs Computing kpt #: 62 total cpu time spent up to now is 18.9 secs Computing kpt #: 63 total cpu time spent up to now is 19.1 secs Computing kpt #: 64 total cpu time spent up to now is 19.3 secs Computing kpt #: 65 total cpu time spent up to now is 19.6 secs Computing kpt #: 66 total cpu time spent up to now is 19.8 secs Computing kpt #: 67 total cpu time spent up to now is 20.0 secs Computing kpt #: 68 total cpu time spent up to now is 20.2 secs Computing kpt #: 69 total cpu time spent up to now is 20.5 secs Computing kpt #: 70 total cpu time spent up to now is 20.7 secs Computing kpt #: 71 total cpu time spent up to now is 20.9 secs Computing kpt #: 72 total cpu time spent up to now is 21.1 secs Computing kpt #: 73 total cpu time spent up to now is 21.4 secs Computing kpt #: 74 total cpu time spent up to now is 21.6 secs Computing kpt #: 75 total cpu time spent up to now is 21.8 secs Computing kpt #: 76 total cpu time spent up to now is 22.0 secs Computing kpt #: 77 total cpu time spent up to now is 22.3 secs Computing kpt #: 78 total cpu time spent up to now is 22.5 secs Computing kpt #: 79 total cpu time spent up to now is 22.7 secs Computing kpt #: 80 total cpu time spent up to now is 22.9 secs Computing kpt #: 81 total cpu time spent up to now is 23.2 secs Computing kpt #: 82 total cpu time spent up to now is 23.4 secs Computing kpt #: 83 total cpu time spent up to now is 23.7 secs Computing kpt #: 84 total cpu time spent up to now is 23.9 secs Computing kpt #: 85 total cpu time spent up to now is 24.2 secs Computing kpt #: 86 total cpu time spent up to now is 24.5 secs Computing kpt #: 87 total cpu time spent up to now is 24.7 secs Computing kpt #: 88 total cpu time spent up to now is 25.0 secs Computing kpt #: 89 total cpu time spent up to now is 25.3 secs Computing kpt #: 90 total cpu time spent up to now is 25.5 secs Computing kpt #: 91 total cpu time spent up to now is 25.8 secs Computing kpt #: 92 total cpu time spent up to now is 26.1 secs Computing kpt #: 93 total cpu time spent up to now is 26.4 secs Computing kpt #: 94 total cpu time spent up to now is 26.7 secs Computing kpt #: 95 total cpu time spent up to now is 27.0 secs Computing kpt #: 96 total cpu time spent up to now is 27.3 secs Computing kpt #: 97 total cpu time spent up to now is 27.5 secs Computing kpt #: 98 total cpu time spent up to now is 27.8 secs Computing kpt #: 99 total cpu time spent up to now is 28.1 secs Computing kpt #: 100 total cpu time spent up to now is 28.4 secs Computing kpt #: 101 total cpu time spent up to now is 28.7 secs Computing kpt #: 102 total cpu time spent up to now is 29.0 secs Computing kpt #: 103 total cpu time spent up to now is 29.2 secs Computing kpt #: 104 total cpu time spent up to now is 29.5 secs Computing kpt #: 105 total cpu time spent up to now is 29.8 secs Computing kpt #: 106 total cpu time spent up to now is 30.1 secs Computing kpt #: 107 total cpu time spent up to now is 30.4 secs Computing kpt #: 108 total cpu time spent up to now is 30.6 secs Computing kpt #: 109 total cpu time spent up to now is 30.9 secs Computing kpt #: 110 total cpu time spent up to now is 31.2 secs Computing kpt #: 111 total cpu time spent up to now is 31.5 secs Computing kpt #: 112 total cpu time spent up to now is 31.8 secs Computing kpt #: 113 total cpu time spent up to now is 32.0 secs Computing kpt #: 114 total cpu time spent up to now is 32.3 secs Computing kpt #: 115 total cpu time spent up to now is 32.6 secs Computing kpt #: 116 total cpu time spent up to now is 32.9 secs Computing kpt #: 117 total cpu time spent up to now is 33.2 secs Computing kpt #: 118 total cpu time spent up to now is 33.4 secs Computing kpt #: 119 total cpu time spent up to now is 33.7 secs Computing kpt #: 120 total cpu time spent up to now is 34.0 secs Computing kpt #: 121 total cpu time spent up to now is 34.3 secs Computing kpt #: 122 total cpu time spent up to now is 34.5 secs Computing kpt #: 123 total cpu time spent up to now is 34.8 secs Computing kpt #: 124 total cpu time spent up to now is 35.1 secs Computing kpt #: 125 total cpu time spent up to now is 35.3 secs Computing kpt #: 126 total cpu time spent up to now is 35.6 secs Computing kpt #: 127 total cpu time spent up to now is 35.9 secs Computing kpt #: 128 total cpu time spent up to now is 36.1 secs Computing kpt #: 129 total cpu time spent up to now is 36.4 secs Computing kpt #: 130 total cpu time spent up to now is 36.6 secs Computing kpt #: 131 total cpu time spent up to now is 36.9 secs Computing kpt #: 132 total cpu time spent up to now is 37.1 secs Computing kpt #: 133 total cpu time spent up to now is 37.4 secs Computing kpt #: 134 total cpu time spent up to now is 37.6 secs Computing kpt #: 135 total cpu time spent up to now is 37.9 secs Computing kpt #: 136 total cpu time spent up to now is 38.1 secs Computing kpt #: 137 total cpu time spent up to now is 38.3 secs Computing kpt #: 138 total cpu time spent up to now is 38.6 secs Computing kpt #: 139 total cpu time spent up to now is 38.8 secs Computing kpt #: 140 total cpu time spent up to now is 39.0 secs Computing kpt #: 141 total cpu time spent up to now is 39.2 secs Computing kpt #: 142 total cpu time spent up to now is 39.5 secs Computing kpt #: 143 total cpu time spent up to now is 39.8 secs Computing kpt #: 144 total cpu time spent up to now is 40.0 secs Computing kpt #: 145 total cpu time spent up to now is 40.2 secs Computing kpt #: 146 total cpu time spent up to now is 40.4 secs Computing kpt #: 147 total cpu time spent up to now is 40.7 secs Computing kpt #: 148 total cpu time spent up to now is 40.9 secs Computing kpt #: 149 total cpu time spent up to now is 41.1 secs Computing kpt #: 150 total cpu time spent up to now is 41.3 secs Computing kpt #: 151 total cpu time spent up to now is 41.6 secs Computing kpt #: 152 total cpu time spent up to now is 41.8 secs Computing kpt #: 153 total cpu time spent up to now is 42.1 secs Computing kpt #: 154 total cpu time spent up to now is 42.3 secs Computing kpt #: 155 total cpu time spent up to now is 42.6 secs Computing kpt #: 156 total cpu time spent up to now is 42.8 secs Computing kpt #: 157 total cpu time spent up to now is 43.1 secs Computing kpt #: 158 total cpu time spent up to now is 43.4 secs Computing kpt #: 159 total cpu time spent up to now is 43.6 secs Computing kpt #: 160 total cpu time spent up to now is 43.9 secs Computing kpt #: 161 total cpu time spent up to now is 44.2 secs Computing kpt #: 162 total cpu time spent up to now is 44.4 secs Computing kpt #: 163 total cpu time spent up to now is 44.7 secs Computing kpt #: 164 total cpu time spent up to now is 45.0 secs Computing kpt #: 165 total cpu time spent up to now is 45.3 secs Computing kpt #: 166 total cpu time spent up to now is 45.5 secs Computing kpt #: 167 total cpu time spent up to now is 45.8 secs Computing kpt #: 168 total cpu time spent up to now is 46.1 secs Computing kpt #: 169 total cpu time spent up to now is 46.3 secs Computing kpt #: 170 total cpu time spent up to now is 46.6 secs Computing kpt #: 171 total cpu time spent up to now is 46.9 secs Computing kpt #: 172 total cpu time spent up to now is 47.1 secs Computing kpt #: 173 total cpu time spent up to now is 47.4 secs Computing kpt #: 174 total cpu time spent up to now is 47.6 secs Computing kpt #: 175 total cpu time spent up to now is 47.9 secs Computing kpt #: 176 total cpu time spent up to now is 48.1 secs Computing kpt #: 177 total cpu time spent up to now is 48.4 secs Computing kpt #: 178 total cpu time spent up to now is 48.6 secs Computing kpt #: 179 total cpu time spent up to now is 48.9 secs Computing kpt #: 180 total cpu time spent up to now is 49.1 secs Computing kpt #: 181 total cpu time spent up to now is 49.3 secs Computing kpt #: 182 total cpu time spent up to now is 49.6 secs Computing kpt #: 183 total cpu time spent up to now is 49.8 secs Computing kpt #: 184 total cpu time spent up to now is 50.0 secs Computing kpt #: 185 total cpu time spent up to now is 50.3 secs Computing kpt #: 186 total cpu time spent up to now is 50.5 secs Computing kpt #: 187 total cpu time spent up to now is 50.7 secs Computing kpt #: 188 total cpu time spent up to now is 50.9 secs Computing kpt #: 189 total cpu time spent up to now is 51.2 secs Computing kpt #: 190 total cpu time spent up to now is 51.4 secs Computing kpt #: 191 total cpu time spent up to now is 51.7 secs Computing kpt #: 192 total cpu time spent up to now is 51.9 secs Computing kpt #: 193 total cpu time spent up to now is 52.2 secs Computing kpt #: 194 total cpu time spent up to now is 52.4 secs Computing kpt #: 195 total cpu time spent up to now is 52.7 secs Computing kpt #: 196 total cpu time spent up to now is 53.0 secs Computing kpt #: 197 total cpu time spent up to now is 53.3 secs Computing kpt #: 198 total cpu time spent up to now is 53.5 secs Computing kpt #: 199 total cpu time spent up to now is 53.8 secs Computing kpt #: 200 total cpu time spent up to now is 54.1 secs Computing kpt #: 201 total cpu time spent up to now is 54.3 secs Computing kpt #: 202 total cpu time spent up to now is 54.6 secs Computing kpt #: 203 total cpu time spent up to now is 54.8 secs Computing kpt #: 204 total cpu time spent up to now is 55.1 secs Computing kpt #: 205 total cpu time spent up to now is 55.3 secs Computing kpt #: 206 total cpu time spent up to now is 55.6 secs Computing kpt #: 207 total cpu time spent up to now is 55.8 secs Computing kpt #: 208 total cpu time spent up to now is 56.1 secs Computing kpt #: 209 total cpu time spent up to now is 56.3 secs Computing kpt #: 210 total cpu time spent up to now is 56.6 secs Computing kpt #: 211 total cpu time spent up to now is 56.9 secs Computing kpt #: 212 total cpu time spent up to now is 57.1 secs Computing kpt #: 213 total cpu time spent up to now is 57.4 secs Computing kpt #: 214 total cpu time spent up to now is 57.7 secs Computing kpt #: 215 total cpu time spent up to now is 58.0 secs Computing kpt #: 216 total cpu time spent up to now is 58.3 secs Computing kpt #: 217 total cpu time spent up to now is 58.5 secs Computing kpt #: 218 total cpu time spent up to now is 58.8 secs Computing kpt #: 219 total cpu time spent up to now is 59.1 secs Computing kpt #: 220 total cpu time spent up to now is 59.3 secs Computing kpt #: 221 total cpu time spent up to now is 59.6 secs Computing kpt #: 222 total cpu time spent up to now is 59.8 secs Computing kpt #: 223 total cpu time spent up to now is 60.1 secs Computing kpt #: 224 total cpu time spent up to now is 60.3 secs Computing kpt #: 225 total cpu time spent up to now is 60.6 secs Computing kpt #: 226 total cpu time spent up to now is 60.8 secs Computing kpt #: 227 total cpu time spent up to now is 61.0 secs Computing kpt #: 228 total cpu time spent up to now is 61.2 secs Computing kpt #: 229 total cpu time spent up to now is 61.5 secs Computing kpt #: 230 total cpu time spent up to now is 61.7 secs Computing kpt #: 231 total cpu time spent up to now is 61.9 secs Computing kpt #: 232 total cpu time spent up to now is 62.1 secs Computing kpt #: 233 total cpu time spent up to now is 62.4 secs Computing kpt #: 234 total cpu time spent up to now is 62.6 secs Computing kpt #: 235 total cpu time spent up to now is 62.8 secs Computing kpt #: 236 total cpu time spent up to now is 63.0 secs Computing kpt #: 237 total cpu time spent up to now is 63.3 secs Computing kpt #: 238 total cpu time spent up to now is 63.5 secs Computing kpt #: 239 total cpu time spent up to now is 63.7 secs Computing kpt #: 240 total cpu time spent up to now is 64.0 secs Computing kpt #: 241 total cpu time spent up to now is 64.2 secs Computing kpt #: 242 total cpu time spent up to now is 64.5 secs Computing kpt #: 243 total cpu time spent up to now is 64.7 secs Computing kpt #: 244 total cpu time spent up to now is 65.0 secs Computing kpt #: 245 total cpu time spent up to now is 65.3 secs Computing kpt #: 246 total cpu time spent up to now is 65.5 secs Computing kpt #: 247 total cpu time spent up to now is 65.8 secs Computing kpt #: 248 total cpu time spent up to now is 66.1 secs Computing kpt #: 249 total cpu time spent up to now is 66.4 secs Computing kpt #: 250 total cpu time spent up to now is 66.6 secs Computing kpt #: 251 total cpu time spent up to now is 66.9 secs Computing kpt #: 252 total cpu time spent up to now is 67.2 secs Computing kpt #: 253 total cpu time spent up to now is 67.4 secs Computing kpt #: 254 total cpu time spent up to now is 67.7 secs Computing kpt #: 255 total cpu time spent up to now is 68.0 secs Computing kpt #: 256 total cpu time spent up to now is 68.3 secs Computing kpt #: 257 total cpu time spent up to now is 68.5 secs Computing kpt #: 258 total cpu time spent up to now is 68.8 secs Computing kpt #: 259 total cpu time spent up to now is 69.0 secs Computing kpt #: 260 total cpu time spent up to now is 69.3 secs Computing kpt #: 261 total cpu time spent up to now is 69.5 secs Computing kpt #: 262 total cpu time spent up to now is 69.7 secs Computing kpt #: 263 total cpu time spent up to now is 70.0 secs Computing kpt #: 264 total cpu time spent up to now is 70.2 secs Computing kpt #: 265 total cpu time spent up to now is 70.4 secs Computing kpt #: 266 total cpu time spent up to now is 70.6 secs Computing kpt #: 267 total cpu time spent up to now is 70.9 secs Computing kpt #: 268 total cpu time spent up to now is 71.1 secs Computing kpt #: 269 total cpu time spent up to now is 71.3 secs Computing kpt #: 270 total cpu time spent up to now is 71.6 secs Computing kpt #: 271 total cpu time spent up to now is 71.8 secs Computing kpt #: 272 total cpu time spent up to now is 72.0 secs Computing kpt #: 273 total cpu time spent up to now is 72.3 secs Computing kpt #: 274 total cpu time spent up to now is 72.5 secs Computing kpt #: 275 total cpu time spent up to now is 72.8 secs Computing kpt #: 276 total cpu time spent up to now is 73.0 secs Computing kpt #: 277 total cpu time spent up to now is 73.4 secs Computing kpt #: 278 total cpu time spent up to now is 73.6 secs Computing kpt #: 279 total cpu time spent up to now is 73.9 secs Computing kpt #: 280 total cpu time spent up to now is 74.2 secs Computing kpt #: 281 total cpu time spent up to now is 74.5 secs Computing kpt #: 282 total cpu time spent up to now is 74.7 secs Computing kpt #: 283 total cpu time spent up to now is 75.0 secs Computing kpt #: 284 total cpu time spent up to now is 75.2 secs Computing kpt #: 285 total cpu time spent up to now is 75.5 secs Computing kpt #: 286 total cpu time spent up to now is 75.7 secs Computing kpt #: 287 total cpu time spent up to now is 76.0 secs Computing kpt #: 288 total cpu time spent up to now is 76.2 secs Computing kpt #: 289 total cpu time spent up to now is 76.5 secs Computing kpt #: 290 total cpu time spent up to now is 76.7 secs Computing kpt #: 291 total cpu time spent up to now is 77.0 secs Computing kpt #: 292 total cpu time spent up to now is 77.3 secs Computing kpt #: 293 total cpu time spent up to now is 77.5 secs Computing kpt #: 294 total cpu time spent up to now is 77.8 secs Computing kpt #: 295 total cpu time spent up to now is 78.1 secs Computing kpt #: 296 total cpu time spent up to now is 78.4 secs Computing kpt #: 297 total cpu time spent up to now is 78.6 secs Computing kpt #: 298 total cpu time spent up to now is 78.9 secs Computing kpt #: 299 total cpu time spent up to now is 79.2 secs Computing kpt #: 300 total cpu time spent up to now is 79.5 secs Computing kpt #: 301 total cpu time spent up to now is 79.8 secs Computing kpt #: 302 total cpu time spent up to now is 80.1 secs Computing kpt #: 303 total cpu time spent up to now is 80.4 secs Computing kpt #: 304 total cpu time spent up to now is 80.7 secs Computing kpt #: 305 total cpu time spent up to now is 81.0 secs Computing kpt #: 306 total cpu time spent up to now is 81.3 secs Computing kpt #: 307 total cpu time spent up to now is 81.6 secs Computing kpt #: 308 total cpu time spent up to now is 81.9 secs Computing kpt #: 309 total cpu time spent up to now is 82.2 secs Computing kpt #: 310 total cpu time spent up to now is 82.5 secs Computing kpt #: 311 total cpu time spent up to now is 82.9 secs Computing kpt #: 312 total cpu time spent up to now is 83.3 secs Computing kpt #: 313 total cpu time spent up to now is 83.7 secs Computing kpt #: 314 total cpu time spent up to now is 84.1 secs ethr = 2.94E-08, avg # of iterations = 13.7 total cpu time spent up to now is 84.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3839 PWs) bands (ev): -69.5118 -69.5118 -69.5105 -69.5105 -36.4548 -36.4548 -36.4477 -36.4477 -36.1670 -36.1670 -36.1670 -36.1670 -36.1595 -36.1595 -36.1595 -36.1595 -14.5012 -14.5012 -14.5012 -14.5012 -13.4840 -13.4840 -13.4605 -13.4605 -13.4605 -13.4605 -2.1271 -2.1271 6.6794 6.6794 7.1779 7.1779 7.1779 7.1779 8.5044 8.5044 9.1831 9.1831 9.1831 9.1831 9.1892 9.1892 k = 0.0106-0.0061 0.0087 ( 3843 PWs) bands (ev): -69.5118 -69.5118 -69.5105 -69.5105 -36.4549 -36.4549 -36.4477 -36.4477 -36.1670 -36.1670 -36.1670 -36.1670 -36.1595 -36.1595 -36.1595 -36.1595 -14.5012 -14.5012 -14.5012 -14.5012 -13.4840 -13.4840 -13.4606 -13.4606 -13.4605 -13.4605 -2.1258 -2.1258 6.6721 6.6721 7.1643 7.1643 7.1712 7.1712 8.5205 8.5205 9.1771 9.1771 9.1906 9.1906 9.1963 9.1963 k = 0.0213-0.0123 0.0174 ( 3863 PWs) bands (ev): -69.5118 -69.5118 -69.5105 -69.5105 -36.4549 -36.4549 -36.4477 -36.4477 -36.1670 -36.1670 -36.1670 -36.1670 -36.1596 -36.1596 -36.1595 -36.1595 -14.5015 -14.5015 -14.5013 -14.5013 -13.4843 -13.4843 -13.4608 -13.4608 -13.4606 -13.4606 -2.1221 -2.1221 6.6504 6.6504 7.1256 7.1256 7.1515 7.1515 8.5667 8.5667 9.1552 9.1552 9.2128 9.2128 9.2214 9.2214 k = 0.0319-0.0184 0.0261 ( 3879 PWs) bands (ev): -69.5118 -69.5118 -69.5105 -69.5105 -36.4549 -36.4549 -36.4477 -36.4477 -36.1671 -36.1671 -36.1670 -36.1670 -36.1596 -36.1596 -36.1595 -36.1595 -14.5016 -14.5016 -14.5015 -14.5015 -13.4844 -13.4844 -13.4608 -13.4608 -13.4607 -13.4607 -2.1158 -2.1158 6.6146 6.6146 7.0671 7.0671 7.1197 7.1197 8.6379 8.6379 9.1198 9.1198 9.2490 9.2490 9.2627 9.2627 k = 0.0426-0.0246 0.0347 ( 3895 PWs) bands (ev): -69.5118 -69.5118 -69.5105 -69.5105 -36.4549 -36.4549 -36.4478 -36.4478 -36.1671 -36.1671 -36.1670 -36.1670 -36.1597 -36.1597 -36.1596 -36.1596 -14.5017 -14.5017 -14.5016 -14.5016 -13.4846 -13.4846 -13.4610 -13.4610 -13.4608 -13.4608 -2.1071 -2.1071 6.5651 6.5651 6.9949 6.9949 7.0774 7.0774 8.7281 8.7281 9.0730 9.0730 9.2986 9.2986 9.3187 9.3187 k = 0.0532-0.0307 0.0434 ( 3903 PWs) bands (ev): -69.5118 -69.5118 -69.5105 -69.5105 -36.4549 -36.4549 -36.4478 -36.4478 -36.1671 -36.1671 -36.1669 -36.1669 -36.1598 -36.1598 -36.1596 -36.1596 -14.5018 -14.5018 -14.5016 -14.5016 -13.4846 -13.4846 -13.4610 -13.4610 -13.4609 -13.4609 -2.0958 -2.0958 6.5026 6.5026 6.9145 6.9145 7.0261 7.0261 8.8318 8.8318 9.0166 9.0166 9.3603 9.3603 9.3875 9.3875 k = 0.0638-0.0369 0.0521 ( 3911 PWs) bands (ev): -69.5118 -69.5118 -69.5105 -69.5105 -36.4549 -36.4549 -36.4478 -36.4478 -36.1671 -36.1671 -36.1669 -36.1669 -36.1599 -36.1599 -36.1596 -36.1596 -14.5018 -14.5018 -14.5017 -14.5017 -13.4846 -13.4846 -13.4610 -13.4610 -13.4610 -13.4610 -2.0821 -2.0821 6.4281 6.4281 6.8300 6.8300 6.9675 6.9675 8.9445 8.9445 8.9527 8.9527 9.4328 9.4328 9.4673 9.4673 k = 0.0745-0.0430 0.0608 ( 3919 PWs) bands (ev): -69.5118 -69.5118 -69.5106 -69.5106 -36.4549 -36.4549 -36.4479 -36.4479 -36.1671 -36.1671 -36.1668 -36.1668 -36.1600 -36.1600 -36.1596 -36.1596 -14.5018 -14.5018 -14.5018 -14.5018 -13.4847 -13.4847 -13.4611 -13.4611 -13.4610 -13.4610 -2.0659 -2.0659 6.3425 6.3425 6.7443 6.7443 6.9032 6.9032 8.8830 8.8830 9.0622 9.0622 9.5149 9.5149 9.5567 9.5567 k = 0.0851-0.0491 0.0695 ( 3919 PWs) bands (ev): -69.5118 -69.5118 -69.5106 -69.5106 -36.4548 -36.4548 -36.4479 -36.4479 -36.1672 -36.1672 -36.1667 -36.1667 -36.1601 -36.1601 -36.1596 -36.1596 -14.5018 -14.5018 -14.5017 -14.5017 -13.4846 -13.4846 -13.4610 -13.4610 -13.4610 -13.4610 -2.0473 -2.0473 6.2475 6.2475 6.6590 6.6590 6.8345 6.8345 8.8090 8.8090 9.1814 9.1814 9.6053 9.6053 9.6542 9.6542 k = 0.0957-0.0553 0.0782 ( 3919 PWs) bands (ev): -69.5118 -69.5118 -69.5106 -69.5106 -36.4548 -36.4548 -36.4480 -36.4480 -36.1672 -36.1672 -36.1666 -36.1666 -36.1602 -36.1602 -36.1596 -36.1596 -14.5018 -14.5018 -14.5017 -14.5017 -13.4845 -13.4845 -13.4610 -13.4610 -13.4610 -13.4610 -2.0262 -2.0262 6.1445 6.1445 6.5749 6.5749 6.7627 6.7627 8.7320 8.7320 9.2981 9.2981 9.7027 9.7027 9.7584 9.7584 k = 0.1064-0.0614 0.0869 ( 3927 PWs) bands (ev): -69.5118 -69.5118 -69.5106 -69.5106 -36.4547 -36.4547 -36.4481 -36.4481 -36.1672 -36.1672 -36.1665 -36.1665 -36.1603 -36.1603 -36.1596 -36.1596 -14.5018 -14.5018 -14.5017 -14.5017 -13.4845 -13.4845 -13.4611 -13.4611 -13.4609 -13.4609 -2.0027 -2.0027 6.0354 6.0354 6.4923 6.4923 6.6886 6.6886 8.6530 8.6530 9.4074 9.4074 9.8057 9.8057 9.8684 9.8684 k = 0.1170-0.0676 0.0955 ( 3919 PWs) bands (ev): -69.5117 -69.5117 -69.5106 -69.5106 -36.4547 -36.4547 -36.4481 -36.4481 -36.1672 -36.1672 -36.1664 -36.1664 -36.1604 -36.1604 -36.1596 -36.1596 -14.5018 -14.5018 -14.5015 -14.5015 -13.4844 -13.4844 -13.4609 -13.4609 -13.4609 -13.4609 -1.9767 -1.9767 5.9214 5.9214 6.4110 6.4110 6.6131 6.6131 8.5728 8.5728 9.5020 9.5020 9.9128 9.9128 9.9832 9.9832 k = 0.1277-0.0737 0.1042 ( 3919 PWs) bands (ev): -69.5117 -69.5117 -69.5106 -69.5106 -36.4546 -36.4546 -36.4482 -36.4482 -36.1672 -36.1672 -36.1662 -36.1662 -36.1606 -36.1606 -36.1596 -36.1596 -14.5018 -14.5018 -14.5014 -14.5014 -13.4844 -13.4844 -13.4609 -13.4609 -13.4608 -13.4608 -1.9484 -1.9484 5.8038 5.8038 6.3311 6.3311 6.5369 6.5369 8.4922 8.4922 9.5715 9.5715 10.0224 10.0224 10.1020 10.1020 k = 0.1383-0.0798 0.1129 ( 3919 PWs) bands (ev): -69.5117 -69.5117 -69.5106 -69.5106 -36.4545 -36.4545 -36.4482 -36.4482 -36.1672 -36.1672 -36.1661 -36.1661 -36.1607 -36.1607 -36.1595 -36.1595 -14.5018 -14.5018 -14.5014 -14.5014 -13.4843 -13.4843 -13.4608 -13.4608 -13.4608 -13.4608 -1.9178 -1.9178 5.6837 5.6837 6.2525 6.2525 6.4604 6.4604 8.4116 8.4116 9.6035 9.6035 10.1335 10.1335 10.2243 10.2243 k = 0.1489-0.0860 0.1216 ( 3935 PWs) bands (ev): -69.5117 -69.5117 -69.5106 -69.5106 -36.4545 -36.4545 -36.4483 -36.4483 -36.1673 -36.1673 -36.1660 -36.1660 -36.1609 -36.1609 -36.1595 -36.1595 -14.5018 -14.5018 -14.5015 -14.5015 -13.4843 -13.4843 -13.4609 -13.4609 -13.4608 -13.4608 -1.8848 -1.8848 5.5617 5.5617 6.1753 6.1753 6.3842 6.3842 8.3313 8.3313 9.5900 9.5900 10.2462 10.2462 10.3494 10.3494 k = 0.1596-0.0921 0.1303 ( 3927 PWs) bands (ev): -69.5117 -69.5117 -69.5106 -69.5106 -36.4544 -36.4544 -36.4484 -36.4484 -36.1673 -36.1673 -36.1658 -36.1658 -36.1610 -36.1610 -36.1595 -36.1595 -14.5017 -14.5017 -14.5013 -14.5013 -13.4841 -13.4841 -13.4608 -13.4608 -13.4607 -13.4607 -1.8496 -1.8496 5.4384 5.4384 6.0995 6.0995 6.3087 6.3087 8.2521 8.2521 9.5343 9.5343 10.3617 10.3617 10.4768 10.4768 k = 0.1702-0.0983 0.1390 ( 3935 PWs) bands (ev): -69.5117 -69.5117 -69.5106 -69.5106 -36.4544 -36.4544 -36.4485 -36.4485 -36.1673 -36.1673 -36.1657 -36.1657 -36.1612 -36.1612 -36.1595 -36.1595 -14.5017 -14.5017 -14.5013 -14.5013 -13.4841 -13.4841 -13.4609 -13.4609 -13.4607 -13.4607 -1.8121 -1.8121 5.3142 5.3142 6.0251 6.0251 6.2340 6.2340 8.1738 8.1738 9.4477 9.4477 10.4806 10.4806 10.6060 10.6060 k = 0.1809-0.1044 0.1477 ( 3935 PWs) bands (ev): -69.5117 -69.5117 -69.5107 -69.5107 -36.4543 -36.4543 -36.4485 -36.4485 -36.1673 -36.1673 -36.1655 -36.1655 -36.1614 -36.1614 -36.1595 -36.1595 -14.5017 -14.5017 -14.5013 -14.5013 -13.4840 -13.4840 -13.4609 -13.4609 -13.4606 -13.4606 -1.7724 -1.7724 5.1895 5.1895 5.9523 5.9523 6.1606 6.1606 8.0971 8.0971 9.3419 9.3419 10.6026 10.6026 10.7368 10.7368 k = 0.1915-0.1106 0.1564 ( 3931 PWs) bands (ev): -69.5117 -69.5117 -69.5107 -69.5107 -36.4543 -36.4543 -36.4486 -36.4486 -36.1674 -36.1674 -36.1653 -36.1653 -36.1615 -36.1615 -36.1594 -36.1594 -14.5017 -14.5017 -14.5011 -14.5011 -13.4839 -13.4839 -13.4607 -13.4607 -13.4606 -13.4606 -1.7305 -1.7305 5.0646 5.0646 5.8811 5.8811 6.0885 6.0885 8.0219 8.0219 9.2257 9.2257 10.7273 10.7273 10.8688 10.8688 k = 0.2021-0.1167 0.1650 ( 3951 PWs) bands (ev): -69.5117 -69.5117 -69.5107 -69.5107 -36.4543 -36.4543 -36.4487 -36.4487 -36.1675 -36.1675 -36.1652 -36.1652 -36.1617 -36.1617 -36.1594 -36.1594 -14.5018 -14.5018 -14.5012 -14.5012 -13.4840 -13.4840 -13.4608 -13.4608 -13.4606 -13.4606 -1.6866 -1.6866 4.9396 4.9396 5.8116 5.8116 6.0180 6.0180 7.9484 7.9484 9.1042 9.1042 10.8538 10.8538 11.0014 11.0014 k = 0.2128-0.1228 0.1737 ( 3951 PWs) bands (ev): -69.5116 -69.5116 -69.5107 -69.5107 -36.4542 -36.4542 -36.4488 -36.4488 -36.1675 -36.1675 -36.1650 -36.1650 -36.1619 -36.1619 -36.1594 -36.1594 -14.5018 -14.5018 -14.5011 -14.5011 -13.4839 -13.4839 -13.4608 -13.4608 -13.4605 -13.4605 -1.6406 -1.6406 4.8147 4.8147 5.7440 5.7440 5.9492 5.9492 7.8768 7.8768 8.9809 8.9809 10.9819 10.9819 11.1348 11.1348 k = 0.2234-0.1290 0.1824 ( 3952 PWs) bands (ev): -69.5116 -69.5116 -69.5107 -69.5107 -36.4541 -36.4541 -36.4488 -36.4488 -36.1675 -36.1675 -36.1648 -36.1648 -36.1621 -36.1621 -36.1594 -36.1594 -14.5018 -14.5018 -14.5010 -14.5010 -13.4838 -13.4838 -13.4608 -13.4608 -13.4605 -13.4605 -1.5926 -1.5926 4.6901 4.6901 5.6782 5.6782 5.8823 5.8823 7.8073 7.8073 8.8580 8.8580 11.1110 11.1110 11.2684 11.2684 k = 0.2340-0.1351 0.1911 ( 3952 PWs) bands (ev): -69.5116 -69.5116 -69.5107 -69.5107 -36.4540 -36.4540 -36.4489 -36.4489 -36.1675 -36.1675 -36.1646 -36.1646 -36.1623 -36.1623 -36.1593 -36.1593 -14.5017 -14.5017 -14.5009 -14.5009 -13.4837 -13.4837 -13.4607 -13.4607 -13.4604 -13.4604 -1.5427 -1.5427 4.5660 4.5660 5.6145 5.6145 5.8173 5.8173 7.7398 7.7398 8.7368 8.7368 11.2407 11.2407 11.4022 11.4022 k = 0.2447-0.1413 0.1998 ( 3960 PWs) bands (ev): -69.5116 -69.5116 -69.5108 -69.5108 -36.4540 -36.4540 -36.4490 -36.4490 -36.1676 -36.1676 -36.1645 -36.1645 -36.1625 -36.1625 -36.1594 -36.1594 -14.5018 -14.5018 -14.5009 -14.5009 -13.4837 -13.4837 -13.4607 -13.4607 -13.4604 -13.4604 -1.4910 -1.4910 4.4425 4.4425 5.5528 5.5528 5.7544 5.7544 7.6746 7.6746 8.6184 8.6184 11.3707 11.3707 11.5359 11.5359 k = 0.2553-0.1474 0.2085 ( 3956 PWs) bands (ev): -69.5116 -69.5116 -69.5108 -69.5108 -36.4539 -36.4539 -36.4491 -36.4491 -36.1676 -36.1676 -36.1643 -36.1643 -36.1627 -36.1627 -36.1593 -36.1593 -14.5018 -14.5018 -14.5007 -14.5007 -13.4836 -13.4836 -13.4605 -13.4605 -13.4603 -13.4603 -1.4376 -1.4376 4.3197 4.3197 5.4933 5.4933 5.6936 5.6936 7.6116 7.6116 8.5033 8.5033 11.5009 11.5009 11.6693 11.6693 k = 0.2660-0.1536 0.2172 ( 3956 PWs) bands (ev): -69.5116 -69.5116 -69.5108 -69.5108 -36.4538 -36.4538 -36.4492 -36.4492 -36.1677 -36.1677 -36.1641 -36.1641 -36.1629 -36.1629 -36.1593 -36.1593 -14.5017 -14.5017 -14.5006 -14.5006 -13.4835 -13.4835 -13.4605 -13.4605 -13.4602 -13.4602 -1.3825 -1.3825 4.1978 4.1978 5.4359 5.4359 5.6351 5.6351 7.5510 7.5510 8.3920 8.3920 11.6312 11.6312 11.8025 11.8025 k = 0.2766-0.1597 0.2258 ( 3956 PWs) bands (ev): -69.5116 -69.5116 -69.5108 -69.5108 -36.4538 -36.4538 -36.4493 -36.4493 -36.1677 -36.1677 -36.1639 -36.1639 -36.1631 -36.1631 -36.1592 -36.1592 -14.5017 -14.5017 -14.5005 -14.5005 -13.4834 -13.4834 -13.4604 -13.4604 -13.4602 -13.4602 -1.3260 -1.3260 4.0770 4.0770 5.3808 5.3808 5.5788 5.5788 7.4928 7.4928 8.2848 8.2848 11.7613 11.7613 11.9352 11.9352 k = 0.2872-0.1658 0.2345 ( 3968 PWs) bands (ev): -69.5115 -69.5115 -69.5108 -69.5108 -36.4537 -36.4537 -36.4494 -36.4494 -36.1677 -36.1677 -36.1638 -36.1638 -36.1633 -36.1633 -36.1592 -36.1592 -14.5017 -14.5017 -14.5006 -14.5006 -13.4834 -13.4834 -13.4607 -13.4607 -13.4601 -13.4601 -1.2681 -1.2681 3.9574 3.9574 5.3280 5.3280 5.5249 5.5249 7.4370 7.4370 8.1821 8.1821 11.8913 11.8913 12.0675 12.0675 k = 0.2979-0.1720 0.2432 ( 3960 PWs) bands (ev): -69.5115 -69.5115 -69.5108 -69.5108 -36.4536 -36.4536 -36.4494 -36.4494 -36.1677 -36.1677 -36.1635 -36.1635 -36.1635 -36.1635 -36.1592 -36.1592 -14.5017 -14.5017 -14.5004 -14.5004 -13.4832 -13.4832 -13.4605 -13.4605 -13.4600 -13.4600 -1.2090 -1.2090 3.8392 3.8392 5.2775 5.2775 5.4734 5.4734 7.3838 7.3838 8.0839 8.0839 12.0210 12.0210 12.1993 12.1993 k = 0.3085-0.1781 0.2519 ( 3960 PWs) bands (ev): -69.5115 -69.5115 -69.5108 -69.5108 -36.4535 -36.4535 -36.4495 -36.4495 -36.1678 -36.1678 -36.1636 -36.1636 -36.1633 -36.1633 -36.1592 -36.1592 -14.5016 -14.5016 -14.5003 -14.5003 -13.4831 -13.4831 -13.4605 -13.4605 -13.4599 -13.4599 -1.1489 -1.1489 3.7226 3.7226 5.2294 5.2294 5.4244 5.4244 7.3331 7.3331 7.9906 7.9906 12.1505 12.1505 12.3306 12.3306 k = 0.3191-0.1843 0.2606 ( 3960 PWs) bands (ev): -69.5115 -69.5115 -69.5109 -69.5109 -36.4535 -36.4535 -36.4496 -36.4496 -36.1678 -36.1678 -36.1638 -36.1638 -36.1632 -36.1632 -36.1591 -36.1591 -14.5016 -14.5016 -14.5002 -14.5002 -13.4830 -13.4830 -13.4604 -13.4604 -13.4598 -13.4598 -1.0879 -1.0879 3.6080 3.6080 5.1838 5.1838 5.3777 5.3777 7.2849 7.2849 7.9020 7.9020 12.2797 12.2797 12.4615 12.4615 k = 0.3298-0.1904 0.2693 ( 3980 PWs) bands (ev): -69.5115 -69.5115 -69.5109 -69.5109 -36.4535 -36.4535 -36.4497 -36.4497 -36.1679 -36.1679 -36.1640 -36.1640 -36.1631 -36.1631 -36.1591 -36.1591 -14.5017 -14.5017 -14.5003 -14.5003 -13.4832 -13.4832 -13.4606 -13.4606 -13.4598 -13.4598 -1.0264 -1.0264 3.4954 3.4954 5.1405 5.1405 5.3336 5.3336 7.2394 7.2394 7.8185 7.8185 12.4085 12.4085 12.5919 12.5919 k = 0.3404-0.1965 0.2780 ( 3972 PWs) bands (ev): -69.5115 -69.5115 -69.5109 -69.5109 -36.4534 -36.4534 -36.4498 -36.4498 -36.1679 -36.1679 -36.1642 -36.1642 -36.1628 -36.1628 -36.1591 -36.1591 -14.5016 -14.5016 -14.5002 -14.5002 -13.4830 -13.4830 -13.4605 -13.4605 -13.4597 -13.4597 -0.9645 -0.9645 3.3854 3.3854 5.0998 5.0998 5.2921 5.2921 7.1965 7.1965 7.7399 7.7399 12.5371 12.5371 12.7220 12.7220 k = 0.3511-0.2027 0.2866 ( 3972 PWs) bands (ev): -69.5115 -69.5115 -69.5109 -69.5109 -36.4533 -36.4533 -36.4499 -36.4499 -36.1679 -36.1679 -36.1644 -36.1644 -36.1627 -36.1627 -36.1591 -36.1591 -14.5016 -14.5016 -14.5001 -14.5001 -13.4829 -13.4829 -13.4605 -13.4605 -13.4596 -13.4596 -0.9026 -0.9026 3.2781 3.2781 5.0616 5.0616 5.2531 5.2531 7.1563 7.1563 7.6664 7.6664 12.6654 12.6654 12.8518 12.8518 k = 0.3617-0.2088 0.2953 ( 3972 PWs) bands (ev): -69.5115 -69.5115 -69.5109 -69.5109 -36.4532 -36.4532 -36.4499 -36.4499 -36.1679 -36.1679 -36.1645 -36.1645 -36.1625 -36.1625 -36.1591 -36.1591 -14.5016 -14.5016 -14.5000 -14.5000 -13.4828 -13.4828 -13.4605 -13.4605 -13.4595 -13.4595 -0.8410 -0.8410 3.1740 3.1740 5.0259 5.0259 5.2167 5.2167 7.1187 7.1187 7.5979 7.5979 12.7934 12.7934 12.9814 12.9814 k = 0.3723-0.2150 0.3040 ( 3964 PWs) bands (ev): -69.5114 -69.5114 -69.5109 -69.5109 -36.4532 -36.4532 -36.4500 -36.4500 -36.1679 -36.1679 -36.1646 -36.1646 -36.1624 -36.1624 -36.1590 -36.1590 -14.5015 -14.5015 -14.4998 -14.4998 -13.4826 -13.4826 -13.4603 -13.4603 -13.4594 -13.4594 -0.7801 -0.7801 3.0735 3.0735 4.9928 4.9928 5.1829 5.1829 7.0839 7.0839 7.5346 7.5346 12.9211 12.9211 13.1108 13.1108 k = 0.3830-0.2211 0.3127 ( 3972 PWs) bands (ev): -69.5114 -69.5114 -69.5109 -69.5109 -36.4531 -36.4531 -36.4501 -36.4501 -36.1679 -36.1679 -36.1648 -36.1648 -36.1622 -36.1622 -36.1590 -36.1590 -14.5015 -14.5015 -14.4999 -14.4999 -13.4827 -13.4827 -13.4604 -13.4604 -13.4594 -13.4594 -0.7203 -0.7203 2.9772 2.9772 4.9623 4.9623 5.1518 5.1518 7.0518 7.0518 7.4764 7.4764 13.0483 13.0483 13.2400 13.2400 k = 0.3936-0.2273 0.3214 ( 3980 PWs) bands (ev): -69.5114 -69.5114 -69.5109 -69.5109 -36.4531 -36.4531 -36.4501 -36.4501 -36.1680 -36.1680 -36.1649 -36.1649 -36.1621 -36.1621 -36.1591 -36.1591 -14.5016 -14.5016 -14.4998 -14.4998 -13.4827 -13.4827 -13.4604 -13.4604 -13.4595 -13.4595 -0.6622 -0.6622 2.8855 2.8855 4.9344 4.9344 5.1233 5.1233 7.0224 7.0224 7.4232 7.4232 13.1750 13.1750 13.3689 13.3689 k = 0.4043-0.2334 0.3301 ( 3988 PWs) bands (ev): -69.5114 -69.5114 -69.5110 -69.5110 -36.4530 -36.4530 -36.4502 -36.4502 -36.1680 -36.1680 -36.1651 -36.1651 -36.1620 -36.1620 -36.1591 -36.1591 -14.5016 -14.5016 -14.4999 -14.4999 -13.4827 -13.4827 -13.4605 -13.4605 -13.4594 -13.4594 -0.6063 -0.6063 2.7991 2.7991 4.9091 4.9091 5.0975 5.0975 6.9958 6.9958 7.3752 7.3752 13.3009 13.3009 13.4975 13.4975 k = 0.4149-0.2395 0.3388 ( 3976 PWs) bands (ev): -69.5114 -69.5114 -69.5110 -69.5110 -36.4530 -36.4530 -36.4503 -36.4503 -36.1680 -36.1680 -36.1652 -36.1652 -36.1619 -36.1619 -36.1590 -36.1590 -14.5015 -14.5015 -14.4997 -14.4997 -13.4825 -13.4825 -13.4604 -13.4604 -13.4593 -13.4593 -0.5533 -0.5533 2.7187 2.7187 4.8864 4.8864 5.0744 5.0744 6.9720 6.9720 7.3322 7.3322 13.4257 13.4257 13.6256 13.6256 k = 0.4255-0.2457 0.3474 ( 3976 PWs) bands (ev): -69.5114 -69.5114 -69.5110 -69.5110 -36.4529 -36.4529 -36.4503 -36.4503 -36.1680 -36.1680 -36.1653 -36.1653 -36.1618 -36.1618 -36.1590 -36.1590 -14.5015 -14.5015 -14.4997 -14.4997 -13.4825 -13.4825 -13.4604 -13.4604 -13.4592 -13.4592 -0.5039 -0.5039 2.6449 2.6449 4.8663 4.8663 5.0540 5.0540 6.9509 6.9509 7.2944 7.2944 13.5486 13.5486 13.7528 13.7528 k = 0.4362-0.2518 0.3561 ( 3956 PWs) bands (ev): -69.5114 -69.5114 -69.5110 -69.5110 -36.4529 -36.4529 -36.4503 -36.4503 -36.1680 -36.1680 -36.1653 -36.1653 -36.1616 -36.1616 -36.1590 -36.1590 -14.5014 -14.5014 -14.4994 -14.4994 -13.4822 -13.4822 -13.4601 -13.4601 -13.4591 -13.4591 -0.4587 -0.4587 2.5786 2.5786 4.8490 4.8490 5.0362 5.0362 6.9327 6.9327 7.2616 7.2616 13.6688 13.6688 13.8784 13.8784 k = 0.4468-0.2580 0.3648 ( 3956 PWs) bands (ev): -69.5114 -69.5114 -69.5110 -69.5110 -36.4528 -36.4528 -36.4503 -36.4503 -36.1680 -36.1680 -36.1654 -36.1654 -36.1616 -36.1616 -36.1590 -36.1590 -14.5014 -14.5014 -14.4994 -14.4994 -13.4822 -13.4822 -13.4601 -13.4601 -13.4590 -13.4590 -0.4186 -0.4186 2.5207 2.5207 4.8342 4.8342 5.0212 5.0212 6.9172 6.9172 7.2339 7.2339 13.7846 13.7846 14.0012 14.0012 k = 0.4574-0.2641 0.3735 ( 3948 PWs) bands (ev): -69.5114 -69.5114 -69.5110 -69.5110 -36.4528 -36.4528 -36.4503 -36.4503 -36.1680 -36.1680 -36.1654 -36.1654 -36.1615 -36.1615 -36.1590 -36.1590 -14.5014 -14.5014 -14.4992 -14.4992 -13.4821 -13.4821 -13.4599 -13.4599 -13.4590 -13.4590 -0.3845 -0.3845 2.4718 2.4718 4.8222 4.8222 5.0089 5.0089 6.9045 6.9045 7.2113 7.2113 13.8935 13.8935 14.1192 14.1192 k = 0.4681-0.2702 0.3822 ( 3956 PWs) bands (ev): -69.5114 -69.5114 -69.5110 -69.5110 -36.4528 -36.4528 -36.4504 -36.4504 -36.1680 -36.1680 -36.1655 -36.1655 -36.1615 -36.1615 -36.1590 -36.1590 -14.5014 -14.5014 -14.4992 -14.4992 -13.4822 -13.4822 -13.4599 -13.4599 -13.4591 -13.4591 -0.3570 -0.3570 2.4328 2.4328 4.8128 4.8128 4.9993 4.9993 6.8947 6.8947 7.1936 7.1936 13.9915 13.9915 14.2287 14.2287 k = 0.4787-0.2764 0.3909 ( 3972 PWs) bands (ev): -69.5114 -69.5114 -69.5110 -69.5110 -36.4528 -36.4528 -36.4504 -36.4504 -36.1680 -36.1680 -36.1656 -36.1656 -36.1614 -36.1614 -36.1590 -36.1590 -14.5015 -14.5015 -14.4994 -14.4994 -13.4823 -13.4823 -13.4601 -13.4601 -13.4592 -13.4592 -0.3368 -0.3368 2.4044 2.4044 4.8060 4.8060 4.9925 4.9925 6.8876 6.8876 7.1810 7.1810 14.0723 14.0723 14.3228 14.3228 k = 0.4894-0.2825 0.3996 ( 3980 PWs) bands (ev): -69.5114 -69.5114 -69.5110 -69.5110 -36.4528 -36.4528 -36.4504 -36.4504 -36.1681 -36.1681 -36.1656 -36.1656 -36.1614 -36.1614 -36.1590 -36.1590 -14.5016 -14.5016 -14.4995 -14.4995 -13.4823 -13.4823 -13.4601 -13.4601 -13.4593 -13.4593 -0.3244 -0.3244 2.3872 2.3872 4.8020 4.8020 4.9883 4.9883 6.8834 6.8834 7.1735 7.1735 14.1271 14.1271 14.3898 14.3898 k = 0.5000-0.2887 0.4082 ( 3984 PWs) bands (ev): -69.5114 -69.5114 -69.5110 -69.5110 -36.4528 -36.4528 -36.4504 -36.4504 -36.1681 -36.1681 -36.1656 -36.1656 -36.1615 -36.1615 -36.1590 -36.1590 -14.5016 -14.5016 -14.4995 -14.4995 -13.4824 -13.4824 -13.4602 -13.4602 -13.4593 -13.4593 -0.3203 -0.3203 2.3814 2.3814 4.8006 4.8006 4.9870 4.9870 6.8820 6.8820 7.1709 7.1709 14.1467 14.1467 14.4149 14.4149 k = 0.5000-0.2887 0.4082 ( 3984 PWs) bands (ev): -69.5114 -69.5114 -69.5110 -69.5110 -36.4528 -36.4528 -36.4504 -36.4504 -36.1681 -36.1681 -36.1656 -36.1656 -36.1615 -36.1615 -36.1590 -36.1590 -14.5016 -14.5016 -14.4995 -14.4995 -13.4824 -13.4824 -13.4602 -13.4602 -13.4593 -13.4593 -0.3203 -0.3203 2.3814 2.3814 4.8006 4.8006 4.9870 4.9870 6.8820 6.8820 7.1709 7.1709 14.1467 14.1467 14.4149 14.4149 k = 0.5000-0.2766 0.4168 ( 3974 PWs) bands (ev): -69.5114 -69.5114 -69.5110 -69.5110 -36.4528 -36.4528 -36.4504 -36.4504 -36.1680 -36.1680 -36.1656 -36.1656 -36.1614 -36.1614 -36.1590 -36.1590 -14.5015 -14.5015 -14.4994 -14.4994 -13.4823 -13.4823 -13.4601 -13.4601 -13.4592 -13.4592 -0.3202 -0.3202 2.3828 2.3828 4.7950 4.7950 4.9807 4.9807 6.8927 6.8927 7.1785 7.1785 14.1349 14.1349 14.4027 14.4027 k = 0.5000-0.2646 0.4253 ( 3970 PWs) bands (ev): -69.5114 -69.5114 -69.5110 -69.5110 -36.4528 -36.4528 -36.4504 -36.4504 -36.1680 -36.1680 -36.1656 -36.1656 -36.1614 -36.1614 -36.1590 -36.1590 -14.5015 -14.5015 -14.4994 -14.4994 -13.4822 -13.4822 -13.4601 -13.4601 -13.4592 -13.4592 -0.3197 -0.3197 2.3872 2.3872 4.7781 4.7781 4.9625 4.9625 6.9244 6.9244 7.2008 7.2008 14.0936 14.0936 14.3711 14.3711 k = 0.5000-0.2526 0.4338 ( 3958 PWs) bands (ev): -69.5114 -69.5114 -69.5110 -69.5110 -36.4527 -36.4527 -36.4504 -36.4504 -36.1680 -36.1680 -36.1656 -36.1656 -36.1614 -36.1614 -36.1590 -36.1590 -14.5013 -14.5013 -14.4993 -14.4993 -13.4821 -13.4821 -13.4600 -13.4600 -13.4590 -13.4590 -0.3190 -0.3190 2.3944 2.3944 4.7500 4.7500 4.9345 4.9345 6.9756 6.9756 7.2375 7.2375 14.0120 14.0120 14.2294 14.2294 k = 0.5000-0.2406 0.4423 ( 3958 PWs) bands (ev): -69.5114 -69.5114 -69.5110 -69.5110 -36.4527 -36.4527 -36.4505 -36.4505 -36.1680 -36.1680 -36.1656 -36.1656 -36.1614 -36.1614 -36.1590 -36.1590 -14.5013 -14.5013 -14.4993 -14.4993 -13.4821 -13.4821 -13.4600 -13.4600 -13.4590 -13.4590 -0.3181 -0.3181 2.4045 2.4045 4.7107 4.7107 4.8990 4.8990 7.0443 7.0443 7.2878 7.2878 13.8892 13.8892 14.0585 14.0585 k = 0.5000-0.2285 0.4508 ( 3960 PWs) bands (ev): -69.5114 -69.5114 -69.5110 -69.5110 -36.4527 -36.4527 -36.4505 -36.4505 -36.1679 -36.1679 -36.1656 -36.1656 -36.1614 -36.1614 -36.1591 -36.1591 -14.5013 -14.5013 -14.4993 -14.4993 -13.4821 -13.4821 -13.4600 -13.4600 -13.4591 -13.4591 -0.3169 -0.3169 2.4175 2.4175 4.6610 4.6610 4.8589 4.8589 7.1281 7.1281 7.3507 7.3507 13.7347 13.7347 13.8733 13.8733 k = 0.5000-0.2165 0.4593 ( 3956 PWs) bands (ev): -69.5114 -69.5114 -69.5110 -69.5110 -36.4527 -36.4527 -36.4505 -36.4505 -36.1679 -36.1679 -36.1656 -36.1656 -36.1614 -36.1614 -36.1591 -36.1591 -14.5013 -14.5013 -14.4993 -14.4993 -13.4821 -13.4821 -13.4599 -13.4599 -13.4591 -13.4591 -0.3155 -0.3155 2.4334 2.4334 4.6018 4.6018 4.8163 4.8163 7.2248 7.2248 7.4254 7.4254 13.5591 13.5591 13.6795 13.6795 k = 0.5000-0.2045 0.4678 ( 3960 PWs) bands (ev): -69.5114 -69.5114 -69.5110 -69.5110 -36.4526 -36.4526 -36.4506 -36.4506 -36.1678 -36.1678 -36.1656 -36.1656 -36.1613 -36.1613 -36.1592 -36.1592 -14.5013 -14.5013 -14.4994 -14.4994 -13.4822 -13.4822 -13.4600 -13.4600 -13.4591 -13.4591 -0.3138 -0.3138 2.4521 2.4521 4.5347 4.5347 4.7724 4.7724 7.3325 7.3325 7.5108 7.5108 13.3703 13.3703 13.4803 13.4803 k = 0.5000-0.1925 0.4763 ( 3972 PWs) bands (ev): -69.5114 -69.5114 -69.5110 -69.5110 -36.4526 -36.4526 -36.4506 -36.4506 -36.1678 -36.1678 -36.1656 -36.1656 -36.1614 -36.1614 -36.1593 -36.1593 -14.5014 -14.5014 -14.4995 -14.4995 -13.4823 -13.4823 -13.4600 -13.4600 -13.4592 -13.4592 -0.3120 -0.3120 2.4737 2.4737 4.4614 4.4614 4.7283 4.7283 7.4495 7.4495 7.6060 7.6060 13.1733 13.1733 13.2774 13.2774 k = 0.5000-0.1804 0.4848 ( 3962 PWs) bands (ev): -69.5114 -69.5114 -69.5110 -69.5110 -36.4526 -36.4526 -36.4506 -36.4506 -36.1677 -36.1677 -36.1656 -36.1656 -36.1613 -36.1613 -36.1593 -36.1593 -14.5013 -14.5013 -14.4994 -14.4994 -13.4822 -13.4822 -13.4599 -13.4599 -13.4591 -13.4591 -0.3101 -0.3101 2.4982 2.4982 4.3837 4.3837 4.6844 4.6844 7.5744 7.5744 7.7102 7.7102 12.9716 12.9716 13.0719 13.0719 k = 0.5000-0.1684 0.4933 ( 3954 PWs) bands (ev): -69.5113 -69.5113 -69.5110 -69.5110 -36.4525 -36.4525 -36.4506 -36.4506 -36.1676 -36.1676 -36.1656 -36.1656 -36.1613 -36.1613 -36.1594 -36.1594 -14.5012 -14.5012 -14.4994 -14.4994 -13.4821 -13.4821 -13.4599 -13.4599 -13.4591 -13.4591 -0.3080 -0.3080 2.5255 2.5255 4.3029 4.3029 4.6413 4.6413 7.7060 7.7060 7.8225 7.8225 12.7674 12.7674 12.8650 12.8650 k = 0.5000-0.1564 0.5018 ( 3954 PWs) bands (ev): -69.5113 -69.5113 -69.5110 -69.5110 -36.4525 -36.4525 -36.4507 -36.4507 -36.1675 -36.1675 -36.1657 -36.1657 -36.1613 -36.1613 -36.1595 -36.1595 -14.5011 -14.5011 -14.4994 -14.4994 -13.4821 -13.4821 -13.4599 -13.4599 -13.4591 -13.4591 -0.3059 -0.3059 2.5556 2.5556 4.2202 4.2202 4.5993 4.5993 7.8433 7.8433 7.9425 7.9425 12.5620 12.5620 12.6573 12.6573 k = 0.5000-0.1443 0.5103 ( 3954 PWs) bands (ev): -69.5113 -69.5113 -69.5110 -69.5110 -36.4524 -36.4524 -36.4508 -36.4508 -36.1674 -36.1674 -36.1657 -36.1657 -36.1612 -36.1612 -36.1596 -36.1596 -14.5011 -14.5011 -14.4995 -14.4995 -13.4821 -13.4821 -13.4598 -13.4598 -13.4592 -13.4592 -0.3037 -0.3037 2.5884 2.5884 4.1364 4.1364 4.5589 4.5589 7.9853 7.9853 8.0698 8.0698 12.3564 12.3564 12.4496 12.4496 k = 0.5000-0.1323 0.5188 ( 3960 PWs) bands (ev): -69.5113 -69.5113 -69.5110 -69.5110 -36.4524 -36.4524 -36.4508 -36.4508 -36.1674 -36.1674 -36.1657 -36.1657 -36.1613 -36.1613 -36.1596 -36.1596 -14.5011 -14.5011 -14.4995 -14.4995 -13.4820 -13.4820 -13.4599 -13.4599 -13.4593 -13.4593 -0.3015 -0.3015 2.6241 2.6241 4.0523 4.0523 4.5204 4.5204 8.1312 8.1312 8.2040 8.2040 12.1513 12.1513 12.2424 12.2424 k = 0.5000-0.1203 0.5273 ( 3958 PWs) bands (ev): -69.5113 -69.5113 -69.5111 -69.5111 -36.4523 -36.4523 -36.4509 -36.4509 -36.1673 -36.1673 -36.1658 -36.1658 -36.1612 -36.1612 -36.1597 -36.1597 -14.5011 -14.5011 -14.4996 -14.4996 -13.4820 -13.4820 -13.4599 -13.4599 -13.4593 -13.4593 -0.2993 -0.2993 2.6625 2.6625 3.9685 3.9685 4.4842 4.4842 8.2801 8.2801 8.3450 8.3450 11.9473 11.9473 12.0360 12.0360 k = 0.5000-0.1083 0.5358 ( 3960 PWs) bands (ev): -69.5113 -69.5113 -69.5111 -69.5111 -36.4523 -36.4523 -36.4509 -36.4509 -36.1672 -36.1672 -36.1658 -36.1658 -36.1612 -36.1612 -36.1598 -36.1598 -14.5011 -14.5011 -14.4996 -14.4996 -13.4820 -13.4820 -13.4599 -13.4599 -13.4593 -13.4593 -0.2972 -0.2972 2.7036 2.7036 3.8854 3.8854 4.4506 4.4506 8.4311 8.4311 8.4928 8.4928 11.7447 11.7447 11.8310 11.8310 k = 0.5000-0.0962 0.5443 ( 3944 PWs) bands (ev): -69.5113 -69.5113 -69.5111 -69.5111 -36.4522 -36.4522 -36.4510 -36.4510 -36.1671 -36.1671 -36.1658 -36.1658 -36.1611 -36.1611 -36.1599 -36.1599 -14.5009 -14.5009 -14.4995 -14.4995 -13.4819 -13.4819 -13.4597 -13.4597 -13.4592 -13.4592 -0.2952 -0.2952 2.7474 2.7474 3.8034 3.8034 4.4199 4.4199 8.5838 8.5838 8.6471 8.6471 11.5441 11.5441 11.6278 11.6278 k = 0.5000-0.0842 0.5528 ( 3952 PWs) bands (ev): -69.5113 -69.5113 -69.5111 -69.5111 -36.4521 -36.4521 -36.4511 -36.4511 -36.1670 -36.1670 -36.1659 -36.1659 -36.1611 -36.1611 -36.1600 -36.1600 -14.5009 -14.5009 -14.4997 -14.4997 -13.4819 -13.4819 -13.4598 -13.4598 -13.4593 -13.4593 -0.2934 -0.2934 2.7937 2.7937 3.7228 3.7228 4.3923 4.3923 8.7379 8.7379 8.8070 8.8070 11.3457 11.3457 11.4267 11.4267 k = 0.5000-0.0722 0.5613 ( 3948 PWs) bands (ev): -69.5113 -69.5113 -69.5111 -69.5111 -36.4520 -36.4520 -36.4511 -36.4511 -36.1669 -36.1669 -36.1659 -36.1659 -36.1610 -36.1610 -36.1601 -36.1601 -14.5008 -14.5008 -14.4997 -14.4997 -13.4818 -13.4818 -13.4598 -13.4598 -13.4593 -13.4593 -0.2917 -0.2917 2.8425 2.8425 3.6439 3.6439 4.3680 4.3680 8.8934 8.8934 8.9718 8.9718 11.1500 11.1500 11.2284 11.2284 k = 0.5000-0.0601 0.5698 ( 3956 PWs) bands (ev): -69.5112 -69.5112 -69.5111 -69.5111 -36.4520 -36.4520 -36.4512 -36.4512 -36.1668 -36.1668 -36.1660 -36.1660 -36.1610 -36.1610 -36.1602 -36.1602 -14.5008 -14.5008 -14.4998 -14.4998 -13.4819 -13.4819 -13.4599 -13.4599 -13.4594 -13.4594 -0.2902 -0.2902 2.8937 2.8937 3.5670 3.5670 4.3471 4.3471 9.0497 9.0497 9.1407 9.1407 10.9572 10.9572 11.0336 11.0336 k = 0.5000-0.0481 0.5784 ( 3952 PWs) bands (ev): -69.5112 -69.5112 -69.5111 -69.5111 -36.4519 -36.4519 -36.4513 -36.4513 -36.1667 -36.1667 -36.1660 -36.1660 -36.1609 -36.1609 -36.1603 -36.1603 -14.5007 -14.5007 -14.4998 -14.4998 -13.4819 -13.4819 -13.4599 -13.4599 -13.4593 -13.4593 -0.2890 -0.2890 2.9470 2.9470 3.4926 3.4926 4.3298 4.3298 9.2054 9.2054 9.3132 9.3132 10.7675 10.7675 10.8441 10.8441 k = 0.5000-0.0361 0.5869 ( 3966 PWs) bands (ev): -69.5112 -69.5112 -69.5111 -69.5111 -36.4518 -36.4518 -36.4514 -36.4514 -36.1666 -36.1666 -36.1661 -36.1661 -36.1609 -36.1609 -36.1604 -36.1604 -14.5008 -14.5008 -14.5000 -14.5000 -13.4820 -13.4820 -13.4600 -13.4600 -13.4594 -13.4594 -0.2880 -0.2880 3.0018 3.0018 3.4213 3.4213 4.3163 4.3163 9.3574 9.3574 9.4886 9.4886 10.5809 10.5809 10.6637 10.6637 k = 0.5000-0.0241 0.5954 ( 3974 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4518 -36.4518 -36.4514 -36.4514 -36.1666 -36.1666 -36.1662 -36.1662 -36.1608 -36.1608 -36.1605 -36.1605 -14.5009 -14.5009 -14.5000 -14.5000 -13.4821 -13.4821 -13.4600 -13.4600 -13.4595 -13.4595 -0.2873 -0.2873 3.0568 3.0568 3.3544 3.3544 4.3065 4.3065 9.4984 9.4984 9.6666 9.6666 10.3965 10.3965 10.5007 10.5007 k = 0.5000-0.0120 0.6039 ( 3972 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4517 -36.4517 -36.4515 -36.4515 -36.1665 -36.1665 -36.1663 -36.1663 -36.1608 -36.1608 -36.1606 -36.1606 -14.5009 -14.5009 -14.5000 -14.5000 -13.4821 -13.4821 -13.4600 -13.4600 -13.4595 -13.4595 -0.2868 -0.2868 3.1072 3.1072 3.2969 3.2969 4.3007 4.3007 9.6106 9.6106 9.8465 9.8465 10.2134 10.2134 10.3748 10.3748 k = 0.5000 0.0000 0.6124 ( 3972 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4516 -36.4516 -36.4516 -36.4516 -36.1664 -36.1664 -36.1663 -36.1663 -36.1607 -36.1607 -36.1606 -36.1606 -14.5009 -14.5009 -14.5000 -14.5000 -13.4821 -13.4821 -13.4600 -13.4600 -13.4595 -13.4595 -0.2867 -0.2867 3.1329 3.1329 3.2688 3.2688 4.2987 4.2987 9.6573 9.6573 10.0105 10.0105 10.0484 10.0484 10.3235 10.3235 k = 0.5000 0.0000 0.6124 ( 3972 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4516 -36.4516 -36.4516 -36.4516 -36.1664 -36.1664 -36.1663 -36.1663 -36.1607 -36.1607 -36.1606 -36.1606 -14.5009 -14.5009 -14.5000 -14.5000 -13.4821 -13.4821 -13.4600 -13.4600 -13.4595 -13.4595 -0.2867 -0.2867 3.1329 3.1329 3.2688 3.2688 4.2987 4.2987 9.6573 9.6573 10.0105 10.0105 10.0484 10.0484 10.3235 10.3235 k = 0.4926 0.0127 0.6124 ( 3972 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4517 -36.4517 -36.4515 -36.4515 -36.1664 -36.1664 -36.1663 -36.1663 -36.1607 -36.1607 -36.1606 -36.1606 -14.5009 -14.5009 -14.5000 -14.5000 -13.4821 -13.4821 -13.4600 -13.4600 -13.4595 -13.4595 -0.2875 -0.2875 3.1192 3.1192 3.2828 3.2828 4.3035 4.3035 9.6145 9.6145 9.9140 9.9140 10.1610 10.1610 10.3558 10.3558 k = 0.4853 0.0255 0.6124 ( 3969 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4517 -36.4517 -36.4515 -36.4515 -36.1665 -36.1665 -36.1663 -36.1663 -36.1608 -36.1608 -36.1606 -36.1606 -14.5008 -14.5008 -14.5000 -14.5000 -13.4820 -13.4820 -13.4600 -13.4600 -13.4595 -13.4595 -0.2898 -0.2898 3.0896 3.0896 3.3123 3.3123 4.3187 4.3187 9.4828 9.4828 9.8564 9.8564 10.2919 10.2919 10.4313 10.4313 k = 0.4779 0.0382 0.6124 ( 3961 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4517 -36.4517 -36.4514 -36.4514 -36.1665 -36.1665 -36.1662 -36.1662 -36.1608 -36.1608 -36.1605 -36.1605 -14.5008 -14.5008 -14.4999 -14.4999 -13.4819 -13.4819 -13.4600 -13.4600 -13.4594 -13.4594 -0.2932 -0.2932 3.0556 3.0556 3.3442 3.3442 4.3453 4.3453 9.3061 9.3061 9.8277 9.8277 10.4248 10.4248 10.5327 10.5327 k = 0.4706 0.0509 0.6124 ( 3955 PWs) bands (ev): -69.5112 -69.5112 -69.5111 -69.5111 -36.4518 -36.4518 -36.4514 -36.4514 -36.1666 -36.1666 -36.1661 -36.1661 -36.1609 -36.1609 -36.1604 -36.1604 -14.5007 -14.5007 -14.4998 -14.4998 -13.4819 -13.4819 -13.4599 -13.4599 -13.4593 -13.4593 -0.2976 -0.2976 3.0216 3.0216 3.3733 3.3733 4.3837 4.3837 9.1168 9.1168 9.8053 9.8053 10.5594 10.5594 10.6505 10.6505 k = 0.4632 0.0637 0.6124 ( 3959 PWs) bands (ev): -69.5112 -69.5112 -69.5111 -69.5111 -36.4518 -36.4518 -36.4513 -36.4513 -36.1666 -36.1666 -36.1661 -36.1661 -36.1609 -36.1609 -36.1604 -36.1604 -14.5008 -14.5008 -14.4999 -14.4999 -13.4820 -13.4820 -13.4600 -13.4600 -13.4592 -13.4592 -0.3026 -0.3026 2.9889 2.9889 3.3974 3.3974 4.4339 4.4339 8.9257 8.9257 9.7840 9.7840 10.6960 10.6960 10.7791 10.7791 k = 0.4559 0.0764 0.6124 ( 3963 PWs) bands (ev): -69.5112 -69.5112 -69.5111 -69.5111 -36.4519 -36.4519 -36.4513 -36.4513 -36.1666 -36.1666 -36.1661 -36.1661 -36.1610 -36.1610 -36.1604 -36.1604 -14.5009 -14.5009 -14.4999 -14.4999 -13.4820 -13.4820 -13.4601 -13.4601 -13.4593 -13.4593 -0.3080 -0.3080 2.9582 2.9582 3.4162 3.4162 4.4950 4.4950 8.7369 8.7369 9.7633 9.7633 10.8350 10.8350 10.9150 10.9150 k = 0.4485 0.0891 0.6124 ( 3957 PWs) bands (ev): -69.5112 -69.5112 -69.5111 -69.5111 -36.4519 -36.4519 -36.4513 -36.4513 -36.1667 -36.1667 -36.1660 -36.1660 -36.1610 -36.1610 -36.1603 -36.1603 -14.5008 -14.5008 -14.4998 -14.4998 -13.4820 -13.4820 -13.4601 -13.4601 -13.4592 -13.4592 -0.3136 -0.3136 2.9299 2.9299 3.4299 3.4299 4.5656 4.5656 8.5526 8.5526 9.7434 9.7434 10.9764 10.9764 11.0561 11.0561 k = 0.4412 0.1019 0.6124 ( 3957 PWs) bands (ev): -69.5112 -69.5112 -69.5111 -69.5111 -36.4519 -36.4519 -36.4512 -36.4512 -36.1667 -36.1667 -36.1660 -36.1660 -36.1610 -36.1610 -36.1603 -36.1603 -14.5009 -14.5009 -14.4998 -14.4998 -13.4820 -13.4820 -13.4601 -13.4601 -13.4591 -13.4591 -0.3193 -0.3193 2.9040 2.9040 3.4392 3.4392 4.6439 4.6439 8.3745 8.3745 9.7248 9.7248 11.1204 11.1204 11.2010 11.2010 k = 0.4338 0.1146 0.6124 ( 3964 PWs) bands (ev): -69.5112 -69.5112 -69.5111 -69.5111 -36.4520 -36.4520 -36.4512 -36.4512 -36.1667 -36.1667 -36.1659 -36.1659 -36.1611 -36.1611 -36.1603 -36.1603 -14.5010 -14.5010 -14.4998 -14.4998 -13.4820 -13.4820 -13.4602 -13.4602 -13.4592 -13.4592 -0.3248 -0.3248 2.8807 2.8807 3.4451 3.4451 4.7275 4.7275 8.2041 8.2041 9.7076 9.7076 11.2668 11.2668 11.3489 11.3489 k = 0.4265 0.1274 0.6124 ( 3965 PWs) bands (ev): -69.5113 -69.5113 -69.5111 -69.5111 -36.4520 -36.4520 -36.4512 -36.4512 -36.1668 -36.1668 -36.1659 -36.1659 -36.1611 -36.1611 -36.1603 -36.1603 -14.5010 -14.5010 -14.4998 -14.4998 -13.4820 -13.4820 -13.4603 -13.4603 -13.4591 -13.4591 -0.3300 -0.3300 2.8600 2.8600 3.4482 3.4482 4.8140 4.8140 8.0429 8.0429 9.6921 9.6921 11.4153 11.4153 11.4993 11.4993 k = 0.4191 0.1401 0.6124 ( 3951 PWs) bands (ev): -69.5112 -69.5112 -69.5111 -69.5111 -36.4520 -36.4520 -36.4511 -36.4511 -36.1668 -36.1668 -36.1659 -36.1659 -36.1611 -36.1611 -36.1602 -36.1602 -14.5009 -14.5009 -14.4997 -14.4997 -13.4819 -13.4819 -13.4602 -13.4602 -13.4590 -13.4590 -0.3347 -0.3347 2.8421 2.8421 3.4496 3.4496 4.9007 4.9007 7.8931 7.8931 9.6785 9.6785 11.5656 11.5656 11.6517 11.6517 k = 0.4118 0.1528 0.6124 ( 3951 PWs) bands (ev): -69.5113 -69.5113 -69.5111 -69.5111 -36.4520 -36.4520 -36.4511 -36.4511 -36.1668 -36.1668 -36.1658 -36.1658 -36.1611 -36.1611 -36.1602 -36.1602 -14.5009 -14.5009 -14.4997 -14.4997 -13.4819 -13.4819 -13.4602 -13.4602 -13.4590 -13.4590 -0.3389 -0.3389 2.8268 2.8268 3.4498 3.4498 4.9843 4.9843 7.7570 7.7570 9.6668 9.6668 11.7172 11.7172 11.8055 11.8055 k = 0.4044 0.1656 0.6124 ( 3953 PWs) bands (ev): -69.5113 -69.5113 -69.5111 -69.5111 -36.4520 -36.4520 -36.4511 -36.4511 -36.1668 -36.1668 -36.1658 -36.1658 -36.1612 -36.1612 -36.1602 -36.1602 -14.5009 -14.5009 -14.4997 -14.4997 -13.4820 -13.4820 -13.4602 -13.4602 -13.4590 -13.4590 -0.3425 -0.3425 2.8143 2.8143 3.4493 3.4493 5.0614 5.0614 7.6377 7.6377 9.6572 9.6572 11.8694 11.8694 11.9600 11.9600 k = 0.3971 0.1783 0.6124 ( 3951 PWs) bands (ev): -69.5113 -69.5113 -69.5111 -69.5111 -36.4520 -36.4520 -36.4511 -36.4511 -36.1668 -36.1668 -36.1658 -36.1658 -36.1612 -36.1612 -36.1602 -36.1602 -14.5009 -14.5009 -14.4997 -14.4997 -13.4819 -13.4819 -13.4602 -13.4602 -13.4590 -13.4590 -0.3453 -0.3453 2.8046 2.8046 3.4485 3.4485 5.1280 5.1280 7.5388 7.5388 9.6496 9.6496 12.0206 12.0206 12.1139 12.1139 k = 0.3897 0.1910 0.6124 ( 3948 PWs) bands (ev): -69.5113 -69.5113 -69.5111 -69.5111 -36.4520 -36.4520 -36.4511 -36.4511 -36.1668 -36.1668 -36.1658 -36.1658 -36.1612 -36.1612 -36.1602 -36.1602 -14.5009 -14.5009 -14.4997 -14.4997 -13.4819 -13.4819 -13.4602 -13.4602 -13.4589 -13.4589 -0.3474 -0.3474 2.7977 2.7977 3.4477 3.4477 5.1798 5.1798 7.4640 7.4640 9.6442 9.6442 12.1672 12.1672 12.2646 12.2646 k = 0.3824 0.2038 0.6124 ( 3948 PWs) bands (ev): -69.5113 -69.5113 -69.5111 -69.5111 -36.4520 -36.4520 -36.4511 -36.4511 -36.1668 -36.1668 -36.1658 -36.1658 -36.1612 -36.1612 -36.1602 -36.1602 -14.5008 -14.5008 -14.4997 -14.4997 -13.4819 -13.4819 -13.4602 -13.4602 -13.4589 -13.4589 -0.3487 -0.3487 2.7935 2.7935 3.4472 3.4472 5.2129 5.2129 7.4173 7.4173 9.6409 9.6409 12.2963 12.2963 12.4039 12.4039 k = 0.3750 0.2165 0.6124 ( 3953 PWs) bands (ev): -69.5113 -69.5113 -69.5111 -69.5111 -36.4521 -36.4521 -36.4511 -36.4511 -36.1668 -36.1668 -36.1658 -36.1658 -36.1612 -36.1612 -36.1602 -36.1602 -14.5009 -14.5009 -14.4997 -14.4997 -13.4820 -13.4820 -13.4603 -13.4603 -13.4589 -13.4589 -0.3491 -0.3491 2.7921 2.7921 3.4470 3.4470 5.2242 5.2242 7.4014 7.4014 9.6398 9.6398 12.3586 12.3586 12.4871 12.4871 k = 0.3750 0.2165 0.6124 ( 3953 PWs) bands (ev): -69.5113 -69.5113 -69.5111 -69.5111 -36.4521 -36.4521 -36.4511 -36.4511 -36.1668 -36.1668 -36.1658 -36.1658 -36.1612 -36.1612 -36.1602 -36.1602 -14.5009 -14.5009 -14.4997 -14.4997 -13.4820 -13.4820 -13.4603 -13.4603 -13.4589 -13.4589 -0.3491 -0.3491 2.7921 2.7921 3.4470 3.4470 5.2242 5.2242 7.4014 7.4014 9.6398 9.6398 12.3586 12.3586 12.4871 12.4871 k = 0.3675 0.2122 0.6001 ( 3945 PWs) bands (ev): -69.5112 -69.5112 -69.5111 -69.5111 -36.4520 -36.4520 -36.4511 -36.4511 -36.1667 -36.1667 -36.1658 -36.1658 -36.1612 -36.1612 -36.1603 -36.1603 -14.5008 -14.5008 -14.4997 -14.4997 -13.4819 -13.4819 -13.4602 -13.4602 -13.4589 -13.4589 -0.3619 -0.3619 2.8415 2.8415 3.3765 3.3765 5.2633 5.2633 7.4455 7.4455 9.8649 9.8649 12.2330 12.2330 12.3657 12.3657 k = 0.3600 0.2078 0.5879 ( 3953 PWs) bands (ev): -69.5112 -69.5112 -69.5111 -69.5111 -36.4519 -36.4519 -36.4512 -36.4512 -36.1666 -36.1666 -36.1658 -36.1658 -36.1612 -36.1612 -36.1604 -36.1604 -14.5008 -14.5008 -14.4998 -14.4998 -13.4820 -13.4820 -13.4604 -13.4604 -13.4589 -13.4589 -0.3775 -0.3775 2.8930 2.8930 3.3139 3.3139 5.3044 5.3044 7.4918 7.4918 10.0929 10.0929 12.1097 12.1097 12.2464 12.2464 k = 0.3525 0.2035 0.5756 ( 3957 PWs) bands (ev): -69.5112 -69.5112 -69.5111 -69.5111 -36.4518 -36.4518 -36.4513 -36.4513 -36.1664 -36.1664 -36.1659 -36.1659 -36.1611 -36.1611 -36.1606 -36.1606 -14.5009 -14.5009 -14.4999 -14.4999 -13.4820 -13.4820 -13.4605 -13.4605 -13.4589 -13.4589 -0.3959 -0.3959 2.9459 2.9459 3.2605 3.2605 5.3475 5.3475 7.5404 7.5404 10.3230 10.3230 11.9889 11.9889 12.1299 12.1299 k = 0.3450 0.1992 0.5634 ( 3965 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4517 -36.4517 -36.4514 -36.4514 -36.1663 -36.1663 -36.1659 -36.1659 -36.1611 -36.1611 -36.1608 -36.1608 -14.5009 -14.5009 -14.5000 -14.5000 -13.4821 -13.4821 -13.4606 -13.4606 -13.4590 -13.4590 -0.4175 -0.4175 2.9984 2.9984 3.2182 3.2182 5.3924 5.3924 7.5912 7.5912 10.5544 10.5544 11.8706 11.8706 12.0166 12.0166 k = 0.3375 0.1949 0.5511 ( 3973 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4517 -36.4517 -36.4515 -36.4515 -36.1661 -36.1661 -36.1659 -36.1659 -36.1611 -36.1611 -36.1609 -36.1609 -14.5010 -14.5010 -14.5002 -14.5002 -13.4822 -13.4822 -13.4607 -13.4607 -13.4590 -13.4590 -0.4424 -0.4424 3.0450 3.0450 3.1928 3.1928 5.4391 5.4391 7.6441 7.6441 10.7851 10.7851 11.7548 11.7548 11.9078 11.9078 k = 0.3300 0.1905 0.5389 ( 3963 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4516 -36.4516 -36.4515 -36.4515 -36.1660 -36.1660 -36.1659 -36.1659 -36.1611 -36.1611 -36.1610 -36.1610 -14.5009 -14.5009 -14.5001 -14.5001 -13.4821 -13.4821 -13.4607 -13.4607 -13.4589 -13.4589 -0.4705 -0.4705 3.0714 3.0714 3.1989 3.1989 5.4875 5.4875 7.6991 7.6991 11.0108 11.0108 11.6415 11.6415 11.8062 11.8062 k = 0.3225 0.1862 0.5266 ( 3963 PWs) bands (ev): -69.5112 -69.5112 -69.5111 -69.5111 -36.4517 -36.4517 -36.4514 -36.4514 -36.1660 -36.1660 -36.1657 -36.1657 -36.1613 -36.1613 -36.1610 -36.1610 -14.5009 -14.5009 -14.5001 -14.5001 -13.4822 -13.4822 -13.4608 -13.4608 -13.4589 -13.4589 -0.5019 -0.5019 3.0731 3.0731 3.2409 3.2409 5.5374 5.5374 7.7561 7.7561 11.2171 11.2171 11.5308 11.5308 11.7182 11.7182 k = 0.3150 0.1819 0.5144 ( 3961 PWs) bands (ev): -69.5112 -69.5112 -69.5111 -69.5111 -36.4518 -36.4518 -36.4513 -36.4513 -36.1660 -36.1660 -36.1656 -36.1656 -36.1614 -36.1614 -36.1610 -36.1610 -14.5009 -14.5009 -14.5001 -14.5001 -13.4822 -13.4822 -13.4608 -13.4608 -13.4589 -13.4589 -0.5366 -0.5366 3.0679 3.0679 3.3010 3.3010 5.5889 5.5889 7.8151 7.8151 11.3533 11.3533 11.4226 11.4226 11.6477 11.6477 k = 0.3075 0.1775 0.5021 ( 3961 PWs) bands (ev): -69.5112 -69.5112 -69.5111 -69.5111 -36.4519 -36.4519 -36.4512 -36.4512 -36.1661 -36.1661 -36.1654 -36.1654 -36.1616 -36.1616 -36.1609 -36.1609 -14.5009 -14.5009 -14.5002 -14.5002 -13.4822 -13.4822 -13.4608 -13.4608 -13.4589 -13.4589 -0.5744 -0.5744 3.0660 3.0660 3.3690 3.3690 5.6418 5.6418 7.8759 7.8759 11.3169 11.3169 11.3567 11.3567 11.5632 11.5632 k = 0.3000 0.1732 0.4899 ( 3963 PWs) bands (ev): -69.5113 -69.5113 -69.5111 -69.5111 -36.4520 -36.4520 -36.4511 -36.4511 -36.1661 -36.1661 -36.1652 -36.1652 -36.1618 -36.1618 -36.1609 -36.1609 -14.5010 -14.5010 -14.5002 -14.5002 -13.4823 -13.4823 -13.4609 -13.4609 -13.4589 -13.4589 -0.6152 -0.6152 3.0704 3.0704 3.4416 3.4416 5.6960 5.6960 7.9384 7.9384 11.2137 11.2137 11.2883 11.2883 11.4652 11.4652 k = 0.2925 0.1689 0.4777 ( 3963 PWs) bands (ev): -69.5113 -69.5113 -69.5111 -69.5111 -36.4521 -36.4521 -36.4510 -36.4510 -36.1662 -36.1662 -36.1650 -36.1650 -36.1620 -36.1620 -36.1609 -36.1609 -14.5010 -14.5010 -14.5002 -14.5002 -13.4824 -13.4824 -13.4610 -13.4610 -13.4589 -13.4589 -0.6588 -0.6588 3.0822 3.0822 3.5178 3.5178 5.7513 5.7513 8.0026 8.0026 11.1132 11.1132 11.2006 11.2006 11.3648 11.3648 k = 0.2850 0.1645 0.4654 ( 3945 PWs) bands (ev): -69.5113 -69.5113 -69.5110 -69.5110 -36.4522 -36.4522 -36.4509 -36.4509 -36.1662 -36.1662 -36.1648 -36.1648 -36.1622 -36.1622 -36.1608 -36.1608 -14.5009 -14.5009 -14.5001 -14.5001 -13.4823 -13.4823 -13.4609 -13.4609 -13.4587 -13.4587 -0.7050 -0.7050 3.1014 3.1014 3.5971 3.5971 5.8076 5.8076 8.0683 8.0683 11.0152 11.0152 11.1071 11.1071 11.2653 11.2653 k = 0.2775 0.1602 0.4532 ( 3941 PWs) bands (ev): -69.5113 -69.5113 -69.5110 -69.5110 -36.4523 -36.4523 -36.4507 -36.4507 -36.1662 -36.1662 -36.1646 -36.1646 -36.1624 -36.1624 -36.1607 -36.1607 -14.5009 -14.5009 -14.5001 -14.5001 -13.4822 -13.4822 -13.4609 -13.4609 -13.4587 -13.4587 -0.7534 -0.7534 3.1282 3.1282 3.6792 3.6792 5.8647 5.8647 8.1352 8.1352 10.9198 10.9198 11.0117 11.0117 11.1684 11.1684 k = 0.2700 0.1559 0.4409 ( 3945 PWs) bands (ev): -69.5113 -69.5113 -69.5110 -69.5110 -36.4524 -36.4524 -36.4506 -36.4506 -36.1663 -36.1663 -36.1644 -36.1644 -36.1626 -36.1626 -36.1607 -36.1607 -14.5009 -14.5009 -14.5002 -14.5002 -13.4824 -13.4824 -13.4610 -13.4610 -13.4588 -13.4588 -0.8038 -0.8038 3.1623 3.1623 3.7639 3.7639 5.9225 5.9225 8.2031 8.2031 10.8269 10.8269 10.9156 10.9156 11.0755 11.0755 k = 0.2625 0.1516 0.4287 ( 3949 PWs) bands (ev): -69.5114 -69.5114 -69.5110 -69.5110 -36.4525 -36.4525 -36.4505 -36.4505 -36.1663 -36.1663 -36.1642 -36.1642 -36.1628 -36.1628 -36.1607 -36.1607 -14.5010 -14.5010 -14.5003 -14.5003 -13.4824 -13.4824 -13.4611 -13.4611 -13.4588 -13.4588 -0.8558 -0.8558 3.2035 3.2035 3.8512 3.8512 5.9808 5.9808 8.2719 8.2719 10.7366 10.7366 10.8195 10.8195 10.9874 10.9874 k = 0.2550 0.1472 0.4164 ( 3949 PWs) bands (ev): -69.5114 -69.5114 -69.5110 -69.5110 -36.4526 -36.4526 -36.4504 -36.4504 -36.1663 -36.1663 -36.1640 -36.1640 -36.1630 -36.1630 -36.1606 -36.1606 -14.5010 -14.5010 -14.5003 -14.5003 -13.4825 -13.4825 -13.4612 -13.4612 -13.4589 -13.4589 -0.9092 -0.9092 3.2516 3.2516 3.9409 3.9409 6.0393 6.0393 8.3413 8.3413 10.6488 10.6488 10.7237 10.7237 10.9046 10.9046 k = 0.2475 0.1429 0.4042 ( 3943 PWs) bands (ev): -69.5114 -69.5114 -69.5110 -69.5110 -36.4528 -36.4528 -36.4502 -36.4502 -36.1664 -36.1664 -36.1638 -36.1638 -36.1632 -36.1632 -36.1606 -36.1606 -14.5011 -14.5011 -14.5003 -14.5003 -13.4826 -13.4826 -13.4612 -13.4612 -13.4588 -13.4588 -0.9636 -0.9636 3.3063 3.3063 4.0329 4.0329 6.0980 6.0980 8.4108 8.4108 10.5636 10.5636 10.6289 10.6289 10.8273 10.8273 k = 0.2400 0.1386 0.3919 ( 3943 PWs) bands (ev): -69.5114 -69.5114 -69.5109 -69.5109 -36.4529 -36.4529 -36.4501 -36.4501 -36.1664 -36.1664 -36.1636 -36.1636 -36.1634 -36.1634 -36.1605 -36.1605 -14.5011 -14.5011 -14.5003 -14.5003 -13.4827 -13.4827 -13.4612 -13.4612 -13.4588 -13.4588 -1.0187 -1.0187 3.3674 3.3674 4.1272 4.1272 6.1565 6.1565 8.4801 8.4801 10.4809 10.4809 10.5353 10.5353 10.7559 10.7559 k = 0.2325 0.1342 0.3797 ( 3951 PWs) bands (ev): -69.5114 -69.5114 -69.5109 -69.5109 -36.4530 -36.4530 -36.4500 -36.4500 -36.1665 -36.1665 -36.1636 -36.1636 -36.1634 -36.1634 -36.1605 -36.1605 -14.5012 -14.5012 -14.5005 -14.5005 -13.4828 -13.4828 -13.4613 -13.4613 -13.4590 -13.4590 -1.0743 -1.0743 3.4346 3.4346 4.2237 4.2237 6.2147 6.2147 8.5486 8.5486 10.4008 10.4008 10.4435 10.4435 10.6904 10.6904 k = 0.2250 0.1299 0.3674 ( 3943 PWs) bands (ev): -69.5114 -69.5114 -69.5109 -69.5109 -36.4531 -36.4531 -36.4499 -36.4499 -36.1665 -36.1665 -36.1637 -36.1637 -36.1632 -36.1632 -36.1604 -36.1604 -14.5012 -14.5012 -14.5005 -14.5005 -13.4829 -13.4829 -13.4613 -13.4613 -13.4590 -13.4590 -1.1301 -1.1301 3.5076 3.5076 4.3223 4.3223 6.2722 6.2722 8.6159 8.6159 10.3232 10.3232 10.3538 10.3538 10.6312 10.6312 k = 0.2175 0.1256 0.3552 ( 3947 PWs) bands (ev): -69.5115 -69.5115 -69.5109 -69.5109 -36.4532 -36.4532 -36.4498 -36.4498 -36.1665 -36.1665 -36.1639 -36.1639 -36.1630 -36.1630 -36.1604 -36.1604 -14.5012 -14.5012 -14.5006 -14.5006 -13.4830 -13.4830 -13.4613 -13.4613 -13.4591 -13.4591 -1.1858 -1.1858 3.5862 3.5862 4.4228 4.4228 6.3289 6.3289 8.6811 8.6811 10.2478 10.2478 10.2666 10.2666 10.5787 10.5787 k = 0.2100 0.1212 0.3429 ( 3943 PWs) bands (ev): -69.5115 -69.5115 -69.5109 -69.5109 -36.4533 -36.4533 -36.4497 -36.4497 -36.1666 -36.1666 -36.1641 -36.1641 -36.1628 -36.1628 -36.1604 -36.1604 -14.5013 -14.5013 -14.5006 -14.5006 -13.4831 -13.4831 -13.4613 -13.4613 -13.4591 -13.4591 -1.2412 -1.2412 3.6702 3.6702 4.5253 4.5253 6.3845 6.3845 8.7436 8.7436 10.1735 10.1735 10.1835 10.1835 10.5333 10.5333 k = 0.2025 0.1169 0.3307 ( 3937 PWs) bands (ev): -69.5115 -69.5115 -69.5108 -69.5108 -36.4534 -36.4534 -36.4495 -36.4495 -36.1666 -36.1666 -36.1643 -36.1643 -36.1626 -36.1626 -36.1603 -36.1603 -14.5013 -14.5013 -14.5006 -14.5006 -13.4831 -13.4831 -13.4613 -13.4613 -13.4591 -13.4591 -1.2960 -1.2960 3.7592 3.7592 4.6295 4.6295 6.4387 6.4387 8.8025 8.8025 10.0958 10.0958 10.1089 10.1089 10.4957 10.4957 k = 0.1950 0.1126 0.3184 ( 3945 PWs) bands (ev): -69.5115 -69.5115 -69.5108 -69.5108 -36.4535 -36.4535 -36.4495 -36.4495 -36.1666 -36.1666 -36.1645 -36.1645 -36.1625 -36.1625 -36.1603 -36.1603 -14.5014 -14.5014 -14.5007 -14.5007 -13.4833 -13.4833 -13.4614 -13.4614 -13.4592 -13.4592 -1.3501 -1.3501 3.8532 3.8532 4.7353 4.7353 6.4912 6.4912 8.8568 8.8568 10.0172 10.0172 10.0407 10.0407 10.4665 10.4665 k = 0.1875 0.1083 0.3062 ( 3957 PWs) bands (ev): -69.5116 -69.5116 -69.5108 -69.5108 -36.4536 -36.4536 -36.4494 -36.4494 -36.1667 -36.1667 -36.1647 -36.1647 -36.1623 -36.1623 -36.1603 -36.1603 -14.5015 -14.5015 -14.5009 -14.5009 -13.4835 -13.4835 -13.4615 -13.4615 -13.4594 -13.4594 -1.4033 -1.4033 3.9518 3.9518 4.8427 4.8427 6.5418 6.5418 8.9054 8.9054 9.9409 9.9409 9.9757 9.9757 10.4462 10.4462 k = 0.1800 0.1039 0.2939 ( 3949 PWs) bands (ev): -69.5116 -69.5116 -69.5108 -69.5108 -36.4537 -36.4537 -36.4492 -36.4492 -36.1667 -36.1667 -36.1648 -36.1648 -36.1621 -36.1621 -36.1602 -36.1602 -14.5015 -14.5015 -14.5010 -14.5010 -13.4835 -13.4835 -13.4615 -13.4615 -13.4595 -13.4595 -1.4553 -1.4553 4.0550 4.0550 4.9515 4.9515 6.5904 6.5904 8.9477 8.9477 9.8674 9.8674 9.9134 9.9134 10.4355 10.4355 k = 0.1725 0.0996 0.2817 ( 3949 PWs) bands (ev): -69.5116 -69.5116 -69.5108 -69.5108 -36.4538 -36.4538 -36.4491 -36.4491 -36.1667 -36.1667 -36.1650 -36.1650 -36.1619 -36.1619 -36.1602 -36.1602 -14.5015 -14.5015 -14.5010 -14.5010 -13.4837 -13.4837 -13.4615 -13.4615 -13.4596 -13.4596 -1.5061 -1.5061 4.1624 4.1624 5.0615 5.0615 6.6367 6.6367 8.9828 8.9828 9.7971 9.7971 9.8538 9.8538 10.4343 10.4343 k = 0.1650 0.0953 0.2694 ( 3949 PWs) bands (ev): -69.5116 -69.5116 -69.5107 -69.5107 -36.4539 -36.4539 -36.4490 -36.4490 -36.1668 -36.1668 -36.1652 -36.1652 -36.1617 -36.1617 -36.1602 -36.1602 -14.5016 -14.5016 -14.5011 -14.5011 -13.4838 -13.4838 -13.4615 -13.4615 -13.4597 -13.4597 -1.5555 -1.5555 4.2740 4.2740 5.1725 5.1725 6.6805 6.6805 9.0103 9.0103 9.7300 9.7300 9.7967 9.7967 10.4426 10.4426 k = 0.1575 0.0909 0.2572 ( 3937 PWs) bands (ev): -69.5116 -69.5116 -69.5107 -69.5107 -36.4540 -36.4540 -36.4489 -36.4489 -36.1668 -36.1668 -36.1653 -36.1653 -36.1616 -36.1616 -36.1601 -36.1601 -14.5015 -14.5015 -14.5011 -14.5011 -13.4838 -13.4838 -13.4614 -13.4614 -13.4597 -13.4597 -1.6034 -1.6034 4.3895 4.3895 5.2843 5.2843 6.7216 6.7216 9.0303 9.0303 9.6663 9.6663 9.7424 9.7424 10.4593 10.4593 k = 0.1500 0.0866 0.2449 ( 3937 PWs) bands (ev): -69.5116 -69.5116 -69.5107 -69.5107 -36.4540 -36.4540 -36.4488 -36.4488 -36.1668 -36.1668 -36.1655 -36.1655 -36.1614 -36.1614 -36.1601 -36.1601 -14.5016 -14.5016 -14.5011 -14.5011 -13.4839 -13.4839 -13.4614 -13.4614 -13.4598 -13.4598 -1.6497 -1.6497 4.5087 4.5087 5.3967 5.3967 6.7601 6.7601 9.0428 9.0428 9.6060 9.6060 9.6904 9.6904 10.4830 10.4830 k = 0.1425 0.0823 0.2327 ( 3929 PWs) bands (ev): -69.5116 -69.5116 -69.5107 -69.5107 -36.4541 -36.4541 -36.4487 -36.4487 -36.1668 -36.1668 -36.1656 -36.1656 -36.1612 -36.1612 -36.1600 -36.1600 -14.5015 -14.5015 -14.5012 -14.5012 -13.4839 -13.4839 -13.4613 -13.4613 -13.4598 -13.4598 -1.6942 -1.6942 4.6315 4.6315 5.5094 5.5094 6.7958 6.7958 9.0485 9.0485 9.5493 9.5493 9.6410 9.6410 10.5112 10.5112 k = 0.1350 0.0779 0.2205 ( 3921 PWs) bands (ev): -69.5117 -69.5117 -69.5107 -69.5107 -36.4542 -36.4542 -36.4486 -36.4486 -36.1668 -36.1668 -36.1657 -36.1657 -36.1611 -36.1611 -36.1600 -36.1600 -14.5015 -14.5015 -14.5012 -14.5012 -13.4839 -13.4839 -13.4612 -13.4612 -13.4599 -13.4599 -1.7368 -1.7368 4.7576 4.7576 5.6220 5.6220 6.8288 6.8288 9.0484 9.0484 9.4962 9.4962 9.5942 9.5942 10.5402 10.5402 k = 0.1275 0.0736 0.2082 ( 3931 PWs) bands (ev): -69.5117 -69.5117 -69.5107 -69.5107 -36.4543 -36.4543 -36.4486 -36.4486 -36.1669 -36.1669 -36.1659 -36.1659 -36.1610 -36.1610 -36.1599 -36.1599 -14.5016 -14.5016 -14.5013 -14.5013 -13.4841 -13.4841 -13.4613 -13.4613 -13.4601 -13.4601 -1.7776 -1.7776 4.8869 4.8869 5.7344 5.7344 6.8591 6.8591 9.0431 9.0431 9.4469 9.4469 9.5499 9.5499 10.5652 10.5652 k = 0.1200 0.0693 0.1960 ( 3927 PWs) bands (ev): -69.5117 -69.5117 -69.5106 -69.5106 -36.4544 -36.4544 -36.4485 -36.4485 -36.1669 -36.1669 -36.1660 -36.1660 -36.1608 -36.1608 -36.1599 -36.1599 -14.5016 -14.5016 -14.5014 -14.5014 -13.4841 -13.4841 -13.4612 -13.4612 -13.4602 -13.4602 -1.8164 -1.8164 5.0190 5.0190 5.8459 5.8459 6.8868 6.8868 9.0337 9.0337 9.4015 9.4015 9.5082 9.5082 10.5797 10.5797 k = 0.1125 0.0650 0.1837 ( 3927 PWs) bands (ev): -69.5117 -69.5117 -69.5106 -69.5106 -36.4545 -36.4545 -36.4484 -36.4484 -36.1669 -36.1669 -36.1662 -36.1662 -36.1607 -36.1607 -36.1599 -36.1599 -14.5016 -14.5016 -14.5015 -14.5015 -13.4842 -13.4842 -13.4612 -13.4612 -13.4603 -13.4603 -1.8531 -1.8531 5.1537 5.1537 5.9563 5.9563 6.9123 6.9123 9.0210 9.0210 9.3600 9.3600 9.4690 9.4690 10.5753 10.5753 k = 0.1050 0.0606 0.1715 ( 3915 PWs) bands (ev): -69.5117 -69.5117 -69.5106 -69.5106 -36.4545 -36.4545 -36.4483 -36.4483 -36.1669 -36.1669 -36.1663 -36.1663 -36.1605 -36.1605 -36.1598 -36.1598 -14.5016 -14.5016 -14.5014 -14.5014 -13.4841 -13.4841 -13.4611 -13.4611 -13.4603 -13.4603 -1.8877 -1.8877 5.2906 5.2906 6.0650 6.0650 6.9356 6.9356 9.0056 9.0056 9.3227 9.3227 9.4323 9.4323 10.5434 10.5434 k = 0.0975 0.0563 0.1592 ( 3917 PWs) bands (ev): -69.5117 -69.5117 -69.5106 -69.5106 -36.4546 -36.4546 -36.4482 -36.4482 -36.1669 -36.1669 -36.1664 -36.1664 -36.1604 -36.1604 -36.1598 -36.1598 -14.5016 -14.5016 -14.5015 -14.5015 -13.4842 -13.4842 -13.4612 -13.4612 -13.4604 -13.4604 -1.9201 -1.9201 5.4293 5.4293 6.1714 6.1714 6.9571 6.9571 8.9881 8.9881 9.2896 9.2896 9.3982 9.3982 10.4783 10.4783 k = 0.0900 0.0520 0.1470 ( 3917 PWs) bands (ev): -69.5117 -69.5117 -69.5106 -69.5106 -36.4546 -36.4546 -36.4482 -36.4482 -36.1670 -36.1670 -36.1665 -36.1665 -36.1603 -36.1603 -36.1598 -36.1598 -14.5016 -14.5016 -14.5015 -14.5015 -13.4843 -13.4843 -13.4612 -13.4612 -13.4605 -13.4605 -1.9502 -1.9502 5.5692 5.5692 6.2750 6.2750 6.9771 6.9771 8.9687 8.9687 9.2607 9.2607 9.3666 9.3666 10.3807 10.3807 k = 0.0825 0.0476 0.1347 ( 3913 PWs) bands (ev): -69.5117 -69.5117 -69.5106 -69.5106 -36.4547 -36.4547 -36.4481 -36.4481 -36.1670 -36.1670 -36.1666 -36.1666 -36.1602 -36.1602 -36.1598 -36.1598 -14.5016 -14.5016 -14.5016 -14.5016 -13.4843 -13.4843 -13.4612 -13.4612 -13.4606 -13.4606 -1.9781 -1.9781 5.7096 5.7096 6.3751 6.3751 6.9962 6.9962 8.9476 8.9476 9.2362 9.2362 9.3376 9.3376 10.2572 10.2572 k = 0.0750 0.0433 0.1225 ( 3915 PWs) bands (ev): -69.5118 -69.5118 -69.5106 -69.5106 -36.4547 -36.4547 -36.4481 -36.4481 -36.1670 -36.1670 -36.1667 -36.1667 -36.1601 -36.1601 -36.1597 -36.1597 -14.5017 -14.5017 -14.5016 -14.5016 -13.4844 -13.4844 -13.4612 -13.4612 -13.4607 -13.4607 -2.0037 -2.0037 5.8495 5.8495 6.4712 6.4712 7.0146 7.0146 8.9246 8.9246 9.2160 9.2160 9.3111 9.3111 10.1166 10.1166 k = 0.0675 0.0390 0.1102 ( 3907 PWs) bands (ev): -69.5118 -69.5118 -69.5106 -69.5106 -36.4548 -36.4548 -36.4480 -36.4480 -36.1670 -36.1670 -36.1667 -36.1667 -36.1600 -36.1600 -36.1597 -36.1597 -14.5017 -14.5017 -14.5016 -14.5016 -13.4844 -13.4844 -13.4611 -13.4611 -13.4607 -13.4607 -2.0270 -2.0270 5.9875 5.9875 6.5628 6.5628 7.0330 7.0330 8.8990 8.8990 9.2002 9.2002 9.2871 9.2871 9.9677 9.9677 k = 0.0600 0.0346 0.0980 ( 3903 PWs) bands (ev): -69.5118 -69.5118 -69.5106 -69.5106 -36.4548 -36.4548 -36.4479 -36.4479 -36.1670 -36.1670 -36.1668 -36.1668 -36.1599 -36.1599 -36.1597 -36.1597 -14.5017 -14.5017 -14.5016 -14.5016 -13.4844 -13.4844 -13.4611 -13.4611 -13.4607 -13.4607 -2.0479 -2.0479 6.1216 6.1216 6.6499 6.6499 7.0519 7.0519 8.8700 8.8700 9.1886 9.1886 9.2656 9.2656 9.8176 9.8176 k = 0.0525 0.0303 0.0857 ( 3903 PWs) bands (ev): -69.5118 -69.5118 -69.5105 -69.5105 -36.4548 -36.4548 -36.4479 -36.4479 -36.1670 -36.1670 -36.1669 -36.1669 -36.1598 -36.1598 -36.1597 -36.1597 -14.5017 -14.5017 -14.5016 -14.5016 -13.4845 -13.4845 -13.4611 -13.4611 -13.4608 -13.4608 -2.0664 -2.0664 6.2489 6.2489 6.7328 6.7328 7.0714 7.0714 8.8360 8.8360 9.1810 9.1810 9.2467 9.2467 9.6730 9.6730 k = 0.0450 0.0260 0.0735 ( 3903 PWs) bands (ev): -69.5118 -69.5118 -69.5105 -69.5105 -36.4549 -36.4549 -36.4478 -36.4478 -36.1670 -36.1670 -36.1669 -36.1669 -36.1598 -36.1598 -36.1596 -36.1596 -14.5018 -14.5018 -14.5016 -14.5016 -13.4845 -13.4845 -13.4611 -13.4611 -13.4608 -13.4608 -2.0824 -2.0824 6.3655 6.3655 6.8131 6.8131 7.0918 7.0918 8.7949 8.7949 9.1769 9.1769 9.2303 9.2303 9.5401 9.5401 k = 0.0375 0.0217 0.0612 ( 3899 PWs) bands (ev): -69.5118 -69.5118 -69.5105 -69.5105 -36.4549 -36.4549 -36.4478 -36.4478 -36.1671 -36.1671 -36.1670 -36.1670 -36.1597 -36.1597 -36.1596 -36.1596 -14.5017 -14.5017 -14.5016 -14.5016 -13.4845 -13.4845 -13.4610 -13.4610 -13.4608 -13.4608 -2.0960 -2.0960 6.4668 6.4668 6.8924 6.8924 7.1126 7.1126 8.7449 8.7449 9.1758 9.1758 9.2164 9.2164 9.4250 9.4250 k = 0.0300 0.0173 0.0490 ( 3895 PWs) bands (ev): -69.5118 -69.5118 -69.5105 -69.5105 -36.4549 -36.4549 -36.4478 -36.4478 -36.1671 -36.1671 -36.1670 -36.1670 -36.1597 -36.1597 -36.1596 -36.1596 -14.5017 -14.5017 -14.5015 -14.5015 -13.4845 -13.4845 -13.4610 -13.4610 -13.4608 -13.4608 -2.1072 -2.1072 6.5486 6.5486 6.9716 6.9716 7.1328 7.1328 8.6860 8.6860 9.1768 9.1768 9.2051 9.2051 9.3324 9.3324 k = 0.0225 0.0130 0.0367 ( 3881 PWs) bands (ev): -69.5118 -69.5118 -69.5105 -69.5105 -36.4549 -36.4549 -36.4477 -36.4477 -36.1671 -36.1671 -36.1670 -36.1670 -36.1596 -36.1596 -36.1596 -36.1596 -14.5016 -14.5016 -14.5014 -14.5014 -13.4844 -13.4844 -13.4609 -13.4609 -13.4608 -13.4608 -2.1159 -2.1159 6.6091 6.6091 7.0481 7.0481 7.1509 7.1509 8.6224 8.6224 9.1790 9.1790 9.1964 9.1964 9.2643 9.2643 k = 0.0150 0.0087 0.0245 ( 3867 PWs) bands (ev): -69.5118 -69.5118 -69.5105 -69.5105 -36.4549 -36.4549 -36.4477 -36.4477 -36.1671 -36.1671 -36.1670 -36.1670 -36.1596 -36.1596 -36.1595 -36.1595 -14.5015 -14.5015 -14.5013 -14.5013 -13.4843 -13.4843 -13.4608 -13.4608 -13.4607 -13.4607 -2.1221 -2.1221 6.6494 6.6494 7.1147 7.1147 7.1654 7.1654 8.5631 8.5631 9.1814 9.1814 9.1903 9.1903 9.2192 9.2192 k = 0.0075 0.0043 0.0122 ( 3841 PWs) bands (ev): -69.5118 -69.5118 -69.5105 -69.5105 -36.4548 -36.4548 -36.4477 -36.4477 -36.1670 -36.1670 -36.1670 -36.1670 -36.1595 -36.1595 -36.1595 -36.1595 -14.5012 -14.5012 -14.5012 -14.5012 -13.4841 -13.4841 -13.4605 -13.4605 -13.4605 -13.4605 -2.1258 -2.1258 6.6721 6.6721 7.1611 7.1611 7.1747 7.1747 8.5202 8.5202 9.1830 9.1830 9.1864 9.1864 9.1948 9.1948 k = 0.0000 0.0000 0.0000 ( 3839 PWs) bands (ev): -69.5118 -69.5118 -69.5105 -69.5105 -36.4548 -36.4548 -36.4477 -36.4477 -36.1670 -36.1670 -36.1670 -36.1670 -36.1595 -36.1595 -36.1595 -36.1595 -14.5012 -14.5012 -14.5012 -14.5012 -13.4840 -13.4840 -13.4605 -13.4605 -13.4605 -13.4605 -2.1271 -2.1271 6.6794 6.6794 7.1779 7.1779 7.1779 7.1779 8.5044 8.5044 9.1831 9.1831 9.1831 9.1831 9.1892 9.1892 k = 0.0000 0.0000 0.0000 ( 3839 PWs) bands (ev): -69.5118 -69.5118 -69.5105 -69.5105 -36.4548 -36.4548 -36.4477 -36.4477 -36.1670 -36.1670 -36.1670 -36.1670 -36.1595 -36.1595 -36.1595 -36.1595 -14.5012 -14.5012 -14.5012 -14.5012 -13.4840 -13.4840 -13.4605 -13.4605 -13.4605 -13.4605 -2.1271 -2.1271 6.6794 6.6794 7.1779 7.1779 7.1779 7.1779 8.5044 8.5044 9.1831 9.1831 9.1831 9.1831 9.1892 9.1892 k = 0.0122 0.0070 0.0050 ( 3840 PWs) bands (ev): -69.5118 -69.5118 -69.5105 -69.5105 -36.4548 -36.4548 -36.4477 -36.4477 -36.1670 -36.1670 -36.1670 -36.1670 -36.1595 -36.1595 -36.1595 -36.1595 -14.5012 -14.5012 -14.5012 -14.5012 -13.4840 -13.4840 -13.4605 -13.4605 -13.4605 -13.4605 -2.1258 -2.1258 6.6721 6.6721 7.1605 7.1605 7.1755 7.1755 8.5200 8.5200 9.1848 9.1848 9.1868 9.1868 9.1925 9.1925 k = 0.0244 0.0141 0.0100 ( 3867 PWs) bands (ev): -69.5118 -69.5118 -69.5105 -69.5105 -36.4549 -36.4549 -36.4477 -36.4477 -36.1671 -36.1671 -36.1670 -36.1670 -36.1596 -36.1596 -36.1596 -36.1596 -14.5015 -14.5015 -14.5013 -14.5013 -13.4843 -13.4843 -13.4608 -13.4608 -13.4607 -13.4607 -2.1221 -2.1221 6.6492 6.6492 7.1132 7.1132 7.1684 7.1684 8.5614 8.5614 9.1907 9.1907 9.1975 9.1975 9.2029 9.2029 k = 0.0366 0.0211 0.0149 ( 3885 PWs) bands (ev): -69.5118 -69.5118 -69.5105 -69.5105 -36.4549 -36.4549 -36.4477 -36.4477 -36.1671 -36.1671 -36.1670 -36.1670 -36.1596 -36.1596 -36.1596 -36.1596 -14.5017 -14.5017 -14.5015 -14.5015 -13.4844 -13.4844 -13.4609 -13.4609 -13.4609 -13.4609 -2.1160 -2.1160 6.6072 6.6072 7.0479 7.0479 7.1567 7.1567 8.6154 8.6154 9.2053 9.2053 9.2151 9.2151 9.2222 9.2222 k = 0.0488 0.0282 0.0199 ( 3891 PWs) bands (ev): -69.5118 -69.5118 -69.5105 -69.5105 -36.4549 -36.4549 -36.4478 -36.4478 -36.1671 -36.1671 -36.1670 -36.1670 -36.1597 -36.1597 -36.1596 -36.1596 -14.5017 -14.5017 -14.5015 -14.5015 -13.4845 -13.4845 -13.4609 -13.4609 -13.4609 -13.4609 -2.1074 -2.1074 6.5418 6.5418 6.9783 6.9783 7.1409 7.1409 8.6653 8.6653 9.2302 9.2302 9.2394 9.2394 9.2570 9.2570 k = 0.0610 0.0352 0.0249 ( 3897 PWs) bands (ev): -69.5118 -69.5118 -69.5105 -69.5105 -36.4549 -36.4549 -36.4478 -36.4478 -36.1670 -36.1670 -36.1670 -36.1670 -36.1597 -36.1597 -36.1596 -36.1596 -14.5017 -14.5017 -14.5016 -14.5016 -13.4845 -13.4845 -13.4609 -13.4609 -13.4609 -13.4609 -2.0963 -2.0963 6.4504 6.4504 6.9148 6.9148 7.1212 7.1212 8.6970 8.6970 9.2602 9.2602 9.2694 9.2694 9.3194 9.3194 k = 0.0732 0.0422 0.0299 ( 3897 PWs) bands (ev): -69.5118 -69.5118 -69.5105 -69.5105 -36.4549 -36.4549 -36.4478 -36.4478 -36.1670 -36.1670 -36.1670 -36.1670 -36.1597 -36.1597 -36.1597 -36.1597 -14.5017 -14.5017 -14.5015 -14.5015 -13.4845 -13.4845 -13.4609 -13.4609 -13.4609 -13.4609 -2.0828 -2.0828 6.3350 6.3350 6.8609 6.8609 7.0981 7.0981 8.7057 8.7057 9.2936 9.2936 9.3045 9.3045 9.4115 9.4115 k = 0.0854 0.0493 0.0349 ( 3903 PWs) bands (ev): -69.5118 -69.5118 -69.5105 -69.5105 -36.4548 -36.4548 -36.4479 -36.4479 -36.1670 -36.1670 -36.1669 -36.1669 -36.1598 -36.1598 -36.1597 -36.1597 -14.5017 -14.5017 -14.5016 -14.5016 -13.4845 -13.4845 -13.4610 -13.4610 -13.4609 -13.4609 -2.0669 -2.0669 6.2013 6.2013 6.8151 6.8151 7.0722 7.0722 8.6944 8.6944 9.3305 9.3305 9.3438 9.3438 9.5268 9.5268 k = 0.0976 0.0563 0.0398 ( 3903 PWs) bands (ev): -69.5118 -69.5118 -69.5106 -69.5106 -36.4548 -36.4548 -36.4479 -36.4479 -36.1669 -36.1669 -36.1669 -36.1669 -36.1598 -36.1598 -36.1598 -36.1598 -14.5017 -14.5017 -14.5016 -14.5016 -13.4844 -13.4844 -13.4610 -13.4610 -13.4608 -13.4608 -2.0486 -2.0486 6.0552 6.0552 6.7745 6.7745 7.0438 7.0438 8.6691 8.6691 9.3703 9.3703 9.3862 9.3862 9.6579 9.6579 k = 0.1098 0.0634 0.0448 ( 3903 PWs) bands (ev): -69.5118 -69.5118 -69.5106 -69.5106 -36.4548 -36.4548 -36.4480 -36.4480 -36.1669 -36.1669 -36.1668 -36.1668 -36.1599 -36.1599 -36.1598 -36.1598 -14.5016 -14.5016 -14.5016 -14.5016 -13.4844 -13.4844 -13.4610 -13.4610 -13.4607 -13.4607 -2.0279 -2.0279 5.9011 5.9011 6.7368 6.7368 7.0135 7.0135 8.6345 8.6345 9.4123 9.4123 9.4307 9.4307 9.7990 9.7990 k = 0.1220 0.0704 0.0498 ( 3912 PWs) bands (ev): -69.5118 -69.5118 -69.5106 -69.5106 -36.4547 -36.4547 -36.4481 -36.4481 -36.1668 -36.1668 -36.1668 -36.1668 -36.1600 -36.1600 -36.1599 -36.1599 -14.5017 -14.5017 -14.5016 -14.5016 -13.4844 -13.4844 -13.4611 -13.4611 -13.4607 -13.4607 -2.0049 -2.0049 5.7419 5.7419 6.7007 6.7007 6.9816 6.9816 8.5943 8.5943 9.4554 9.4554 9.4759 9.4759 9.9461 9.9461 k = 0.1341 0.0774 0.0548 ( 3912 PWs) bands (ev): -69.5117 -69.5117 -69.5106 -69.5106 -36.4547 -36.4547 -36.4481 -36.4481 -36.1668 -36.1668 -36.1667 -36.1667 -36.1600 -36.1600 -36.1599 -36.1599 -14.5016 -14.5016 -14.5016 -14.5016 -13.4843 -13.4843 -13.4611 -13.4611 -13.4606 -13.4606 -1.9796 -1.9796 5.5797 5.5797 6.6654 6.6654 6.9486 6.9486 8.5505 8.5505 9.4983 9.4983 9.5207 9.5207 10.0970 10.0970 k = 0.1463 0.0845 0.0597 ( 3912 PWs) bands (ev): -69.5117 -69.5117 -69.5106 -69.5106 -36.4546 -36.4546 -36.4482 -36.4482 -36.1667 -36.1667 -36.1667 -36.1667 -36.1601 -36.1601 -36.1600 -36.1600 -14.5016 -14.5016 -14.5015 -14.5015 -13.4842 -13.4842 -13.4611 -13.4611 -13.4606 -13.4606 -1.9520 -1.9520 5.4160 5.4160 6.6307 6.6307 6.9148 6.9148 8.5047 8.5047 9.5398 9.5398 9.5634 9.5634 10.2501 10.2501 k = 0.1585 0.0915 0.0647 ( 3912 PWs) bands (ev): -69.5117 -69.5117 -69.5106 -69.5106 -36.4545 -36.4545 -36.4482 -36.4482 -36.1667 -36.1667 -36.1666 -36.1666 -36.1602 -36.1602 -36.1601 -36.1601 -14.5015 -14.5015 -14.5015 -14.5015 -13.4842 -13.4842 -13.4611 -13.4611 -13.4605 -13.4605 -1.9222 -1.9222 5.2518 5.2518 6.5963 6.5963 6.8806 6.8806 8.4580 8.4580 9.5784 9.5784 9.6026 9.6026 10.4045 10.4045 k = 0.1707 0.0986 0.0697 ( 3918 PWs) bands (ev): -69.5117 -69.5117 -69.5106 -69.5106 -36.4545 -36.4545 -36.4483 -36.4483 -36.1666 -36.1666 -36.1665 -36.1665 -36.1602 -36.1602 -36.1602 -36.1602 -14.5015 -14.5015 -14.5015 -14.5015 -13.4842 -13.4842 -13.4612 -13.4612 -13.4603 -13.4603 -1.8902 -1.8902 5.0878 5.0878 6.5623 6.5623 6.8463 6.8463 8.4111 8.4111 9.6127 9.6127 9.6367 9.6367 10.5597 10.5597 k = 0.1829 0.1056 0.0747 ( 3921 PWs) bands (ev): -69.5117 -69.5117 -69.5106 -69.5106 -36.4544 -36.4544 -36.4484 -36.4484 -36.1666 -36.1666 -36.1665 -36.1665 -36.1603 -36.1603 -36.1602 -36.1602 -14.5015 -14.5015 -14.5015 -14.5015 -13.4841 -13.4841 -13.4613 -13.4613 -13.4602 -13.4602 -1.8561 -1.8561 4.9247 4.9247 6.5287 6.5287 6.8121 6.8121 8.3645 8.3645 9.6414 9.6414 9.6643 9.6643 10.7152 10.7152 k = 0.1951 0.1127 0.0797 ( 3921 PWs) bands (ev): -69.5117 -69.5117 -69.5106 -69.5106 -36.4544 -36.4544 -36.4485 -36.4485 -36.1665 -36.1665 -36.1664 -36.1664 -36.1604 -36.1604 -36.1603 -36.1603 -14.5015 -14.5015 -14.5014 -14.5014 -13.4841 -13.4841 -13.4613 -13.4613 -13.4601 -13.4601 -1.8200 -1.8200 4.7628 4.7628 6.4957 6.4957 6.7781 6.7781 8.3186 8.3186 9.6631 9.6631 9.6844 9.6844 10.8708 10.8708 k = 0.2073 0.1197 0.0846 ( 3921 PWs) bands (ev): -69.5117 -69.5117 -69.5107 -69.5107 -36.4543 -36.4543 -36.4485 -36.4485 -36.1664 -36.1664 -36.1663 -36.1663 -36.1605 -36.1605 -36.1604 -36.1604 -14.5015 -14.5015 -14.5013 -14.5013 -13.4840 -13.4840 -13.4613 -13.4613 -13.4600 -13.4600 -1.7819 -1.7819 4.6027 4.6027 6.4632 6.4632 6.7447 6.7447 8.2739 8.2739 9.6773 9.6773 9.6963 9.6963 11.0258 11.0258 k = 0.2195 0.1267 0.0896 ( 3927 PWs) bands (ev): -69.5117 -69.5117 -69.5107 -69.5107 -36.4542 -36.4542 -36.4486 -36.4486 -36.1664 -36.1664 -36.1662 -36.1662 -36.1606 -36.1606 -36.1605 -36.1605 -14.5015 -14.5015 -14.5013 -14.5013 -13.4839 -13.4839 -13.4613 -13.4613 -13.4599 -13.4599 -1.7419 -1.7419 4.4446 4.4446 6.4314 6.4314 6.7120 6.7120 8.2303 8.2303 9.6834 9.6834 9.6997 9.6997 11.1793 11.1793 k = 0.2317 0.1338 0.0946 ( 3933 PWs) bands (ev): -69.5116 -69.5116 -69.5107 -69.5107 -36.4541 -36.4541 -36.4487 -36.4487 -36.1663 -36.1663 -36.1662 -36.1662 -36.1607 -36.1607 -36.1606 -36.1606 -14.5015 -14.5015 -14.5013 -14.5013 -13.4839 -13.4839 -13.4614 -13.4614 -13.4599 -13.4599 -1.7002 -1.7002 4.2888 4.2888 6.4004 6.4004 6.6800 6.6800 8.1882 8.1882 9.6818 9.6818 9.6950 9.6950 11.3275 11.3275 k = 0.2439 0.1408 0.0996 ( 3939 PWs) bands (ev): -69.5116 -69.5116 -69.5107 -69.5107 -36.4541 -36.4541 -36.4488 -36.4488 -36.1662 -36.1662 -36.1661 -36.1661 -36.1608 -36.1608 -36.1607 -36.1607 -14.5015 -14.5015 -14.5013 -14.5013 -13.4838 -13.4838 -13.4615 -13.4615 -13.4598 -13.4598 -1.6567 -1.6567 4.1358 4.1358 6.3703 6.3703 6.6490 6.6490 8.1477 8.1477 9.6731 9.6731 9.6832 9.6832 11.4566 11.4566 k = 0.2561 0.1479 0.1046 ( 3933 PWs) bands (ev): -69.5116 -69.5116 -69.5107 -69.5107 -36.4540 -36.4540 -36.4489 -36.4489 -36.1661 -36.1661 -36.1660 -36.1660 -36.1609 -36.1609 -36.1608 -36.1608 -14.5014 -14.5014 -14.5011 -14.5011 -13.4837 -13.4837 -13.4615 -13.4615 -13.4596 -13.4596 -1.6118 -1.6118 3.9856 3.9856 6.3412 6.3412 6.6190 6.6190 8.1088 8.1088 9.6582 9.6582 9.6652 9.6652 11.5481 11.5481 k = 0.2683 0.1549 0.1095 ( 3933 PWs) bands (ev): -69.5116 -69.5116 -69.5107 -69.5107 -36.4539 -36.4539 -36.4490 -36.4490 -36.1660 -36.1660 -36.1659 -36.1659 -36.1610 -36.1610 -36.1609 -36.1609 -14.5014 -14.5014 -14.5010 -14.5010 -13.4836 -13.4836 -13.4615 -13.4615 -13.4595 -13.4595 -1.5654 -1.5654 3.8387 3.8387 6.3132 6.3132 6.5902 6.5902 8.0717 8.0717 9.6381 9.6381 9.6423 9.6423 11.5695 11.5695 k = 0.2805 0.1619 0.1145 ( 3924 PWs) bands (ev): -69.5116 -69.5116 -69.5108 -69.5108 -36.4537 -36.4537 -36.4491 -36.4491 -36.1659 -36.1659 -36.1657 -36.1657 -36.1611 -36.1611 -36.1610 -36.1610 -14.5013 -14.5013 -14.5008 -14.5008 -13.4834 -13.4834 -13.4614 -13.4614 -13.4593 -13.4593 -1.5178 -1.5178 3.6953 3.6953 6.2863 6.2863 6.5626 6.5626 8.0364 8.0364 9.6142 9.6142 9.6156 9.6156 11.5243 11.5243 k = 0.2927 0.1690 0.1195 ( 3924 PWs) bands (ev): -69.5116 -69.5116 -69.5108 -69.5108 -36.4536 -36.4536 -36.4492 -36.4492 -36.1658 -36.1658 -36.1656 -36.1656 -36.1612 -36.1612 -36.1611 -36.1611 -14.5013 -14.5013 -14.5007 -14.5007 -13.4833 -13.4833 -13.4615 -13.4615 -13.4591 -13.4591 -1.4691 -1.4691 3.5556 3.5556 6.2605 6.2605 6.5362 6.5362 8.0030 8.0030 9.5863 9.5863 9.5873 9.5873 11.4736 11.4736 k = 0.3049 0.1760 0.1245 ( 3912 PWs) bands (ev): -69.5115 -69.5115 -69.5108 -69.5108 -36.4535 -36.4535 -36.4493 -36.4493 -36.1656 -36.1656 -36.1655 -36.1655 -36.1613 -36.1613 -36.1612 -36.1612 -14.5012 -14.5012 -14.5005 -14.5005 -13.4831 -13.4831 -13.4614 -13.4614 -13.4589 -13.4589 -1.4197 -1.4197 3.4200 3.4200 6.2361 6.2361 6.5112 6.5112 7.9714 7.9714 9.5554 9.5554 9.5587 9.5587 11.4236 11.4236 k = 0.3171 0.1831 0.1294 ( 3912 PWs) bands (ev): -69.5115 -69.5115 -69.5108 -69.5108 -36.4534 -36.4534 -36.4494 -36.4494 -36.1655 -36.1655 -36.1654 -36.1654 -36.1614 -36.1614 -36.1613 -36.1613 -14.5012 -14.5012 -14.5004 -14.5004 -13.4830 -13.4830 -13.4614 -13.4614 -13.4588 -13.4588 -1.3696 -1.3696 3.2887 3.2887 6.2129 6.2129 6.4875 6.4875 7.9417 7.9417 9.5236 9.5236 9.5289 9.5289 11.3754 11.3754 k = 0.3293 0.1901 0.1344 ( 3897 PWs) bands (ev): -69.5115 -69.5115 -69.5108 -69.5108 -36.4532 -36.4532 -36.4496 -36.4496 -36.1654 -36.1654 -36.1652 -36.1652 -36.1615 -36.1615 -36.1614 -36.1614 -14.5011 -14.5011 -14.5002 -14.5002 -13.4828 -13.4828 -13.4612 -13.4612 -13.4585 -13.4585 -1.3193 -1.3193 3.1622 3.1622 6.1911 6.1911 6.4652 6.4652 7.9140 7.9140 9.4917 9.4917 9.4989 9.4989 11.3293 11.3293 k = 0.3415 0.1971 0.1394 ( 3903 PWs) bands (ev): -69.5115 -69.5115 -69.5108 -69.5108 -36.4531 -36.4531 -36.4497 -36.4497 -36.1653 -36.1653 -36.1651 -36.1651 -36.1617 -36.1617 -36.1616 -36.1616 -14.5011 -14.5011 -14.5002 -14.5002 -13.4828 -13.4828 -13.4613 -13.4613 -13.4585 -13.4585 -1.2690 -1.2690 3.0407 3.0407 6.1707 6.1707 6.4444 6.4444 7.8881 7.8881 9.4603 9.4603 9.4692 9.4692 11.2858 11.2858 k = 0.3537 0.2042 0.1444 ( 3915 PWs) bands (ev): -69.5114 -69.5114 -69.5109 -69.5109 -36.4530 -36.4530 -36.4498 -36.4498 -36.1652 -36.1652 -36.1650 -36.1650 -36.1618 -36.1618 -36.1617 -36.1617 -14.5011 -14.5011 -14.5003 -14.5003 -13.4829 -13.4829 -13.4614 -13.4614 -13.4585 -13.4585 -1.2191 -1.2191 2.9247 2.9247 6.1516 6.1516 6.4250 6.4250 7.8642 7.8642 9.4299 9.4299 9.4403 9.4403 11.2449 11.2449 k = 0.3659 0.2112 0.1494 ( 3915 PWs) bands (ev): -69.5114 -69.5114 -69.5109 -69.5109 -36.4529 -36.4529 -36.4499 -36.4499 -36.1650 -36.1650 -36.1649 -36.1649 -36.1620 -36.1620 -36.1618 -36.1618 -14.5011 -14.5011 -14.5002 -14.5002 -13.4828 -13.4828 -13.4614 -13.4614 -13.4584 -13.4584 -1.1699 -1.1699 2.8147 2.8147 6.1340 6.1340 6.4071 6.4071 7.8423 7.8423 9.4008 9.4008 9.4125 9.4125 11.2069 11.2069 k = 0.3780 0.2183 0.1543 ( 3915 PWs) bands (ev): -69.5114 -69.5114 -69.5109 -69.5109 -36.4528 -36.4528 -36.4501 -36.4501 -36.1649 -36.1649 -36.1648 -36.1648 -36.1621 -36.1621 -36.1620 -36.1620 -14.5011 -14.5011 -14.5001 -14.5001 -13.4827 -13.4827 -13.4615 -13.4615 -13.4583 -13.4583 -1.1221 -1.1221 2.7112 2.7112 6.1179 6.1179 6.3907 6.3907 7.8222 7.8222 9.3735 9.3735 9.3864 9.3864 11.1719 11.1719 k = 0.3902 0.2253 0.1593 ( 3915 PWs) bands (ev): -69.5114 -69.5114 -69.5109 -69.5109 -36.4527 -36.4527 -36.4502 -36.4502 -36.1648 -36.1648 -36.1646 -36.1646 -36.1622 -36.1622 -36.1621 -36.1621 -14.5011 -14.5011 -14.5001 -14.5001 -13.4826 -13.4826 -13.4615 -13.4615 -13.4582 -13.4582 -1.0760 -1.0760 2.6146 2.6146 6.1032 6.1032 6.3759 6.3759 7.8041 7.8041 9.3481 9.3481 9.3621 9.3621 11.1400 11.1400 k = 0.4024 0.2323 0.1643 ( 3918 PWs) bands (ev): -69.5113 -69.5113 -69.5110 -69.5110 -36.4525 -36.4525 -36.4503 -36.4503 -36.1647 -36.1647 -36.1645 -36.1645 -36.1624 -36.1624 -36.1622 -36.1622 -14.5011 -14.5011 -14.5001 -14.5001 -13.4826 -13.4826 -13.4615 -13.4615 -13.4581 -13.4581 -1.0323 -1.0323 2.5257 2.5257 6.0901 6.0901 6.3626 6.3626 7.7879 7.7879 9.3249 9.3249 9.3398 9.3398 11.1111 11.1111 k = 0.4146 0.2394 0.1693 ( 3924 PWs) bands (ev): -69.5113 -69.5113 -69.5110 -69.5110 -36.4524 -36.4524 -36.4505 -36.4505 -36.1645 -36.1645 -36.1643 -36.1643 -36.1625 -36.1625 -36.1624 -36.1624 -14.5011 -14.5011 -14.5001 -14.5001 -13.4826 -13.4826 -13.4616 -13.4616 -13.4582 -13.4582 -0.9915 -0.9915 2.4449 2.4449 6.0785 6.0785 6.3508 6.3508 7.7737 7.7737 9.3040 9.3040 9.3198 9.3198 11.0856 11.0856 k = 0.4268 0.2464 0.1743 ( 3930 PWs) bands (ev): -69.5113 -69.5113 -69.5110 -69.5110 -36.4523 -36.4523 -36.4506 -36.4506 -36.1644 -36.1644 -36.1642 -36.1642 -36.1627 -36.1627 -36.1625 -36.1625 -14.5011 -14.5011 -14.5001 -14.5001 -13.4826 -13.4826 -13.4617 -13.4617 -13.4581 -13.4581 -0.9543 -0.9543 2.3730 2.3730 6.0683 6.0683 6.3406 6.3406 7.7613 7.7613 9.2857 9.2857 9.3022 9.3022 11.0633 11.0633 k = 0.4390 0.2535 0.1792 ( 3921 PWs) bands (ev): -69.5113 -69.5113 -69.5110 -69.5110 -36.4521 -36.4521 -36.4508 -36.4508 -36.1642 -36.1642 -36.1641 -36.1641 -36.1628 -36.1628 -36.1627 -36.1627 -14.5011 -14.5011 -14.5000 -14.5000 -13.4825 -13.4825 -13.4616 -13.4616 -13.4580 -13.4580 -0.9213 -0.9213 2.3107 2.3107 6.0598 6.0598 6.3320 6.3320 7.7509 7.7509 9.2700 9.2700 9.2871 9.2871 11.0444 11.0444 k = 0.4512 0.2605 0.1842 ( 3924 PWs) bands (ev): -69.5113 -69.5113 -69.5111 -69.5111 -36.4520 -36.4520 -36.4509 -36.4509 -36.1641 -36.1641 -36.1639 -36.1639 -36.1630 -36.1630 -36.1628 -36.1628 -14.5011 -14.5011 -14.5000 -14.5000 -13.4825 -13.4825 -13.4617 -13.4617 -13.4580 -13.4580 -0.8933 -0.8933 2.2586 2.2586 6.0528 6.0528 6.3249 6.3249 7.7424 7.7424 9.2570 9.2570 9.2746 9.2746 11.0288 11.0288 k = 0.4634 0.2676 0.1892 ( 3927 PWs) bands (ev): -69.5112 -69.5112 -69.5111 -69.5111 -36.4519 -36.4519 -36.4510 -36.4510 -36.1640 -36.1640 -36.1638 -36.1638 -36.1631 -36.1631 -36.1630 -36.1630 -14.5011 -14.5011 -14.4999 -14.4999 -13.4825 -13.4825 -13.4617 -13.4617 -13.4580 -13.4580 -0.8707 -0.8707 2.2173 2.2173 6.0473 6.0473 6.3194 6.3194 7.7358 7.7358 9.2469 9.2469 9.2648 9.2648 11.0167 11.0167 k = 0.4756 0.2746 0.1942 ( 3927 PWs) bands (ev): -69.5112 -69.5112 -69.5111 -69.5111 -36.4518 -36.4518 -36.4512 -36.4512 -36.1639 -36.1639 -36.1637 -36.1637 -36.1632 -36.1632 -36.1631 -36.1631 -14.5010 -14.5010 -14.5000 -14.5000 -13.4824 -13.4824 -13.4617 -13.4617 -13.4580 -13.4580 -0.8542 -0.8542 2.1874 2.1874 6.0434 6.0434 6.3154 6.3154 7.7310 7.7310 9.2396 9.2396 9.2579 9.2579 11.0080 11.0080 k = 0.4878 0.2816 0.1991 ( 3921 PWs) bands (ev): -69.5112 -69.5112 -69.5111 -69.5111 -36.4516 -36.4516 -36.4513 -36.4513 -36.1637 -36.1637 -36.1635 -36.1635 -36.1634 -36.1634 -36.1632 -36.1632 -14.5009 -14.5009 -14.5000 -14.5000 -13.4824 -13.4824 -13.4616 -13.4616 -13.4579 -13.4579 -0.8440 -0.8440 2.1693 2.1693 6.0411 6.0411 6.3131 6.3131 7.7282 7.7282 9.2353 9.2353 9.2537 9.2537 11.0028 11.0028 k = 0.5000 0.2887 0.2041 ( 3906 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4515 -36.4515 -36.4514 -36.4514 -36.1636 -36.1636 -36.1635 -36.1635 -36.1633 -36.1633 -36.1633 -36.1633 -14.5008 -14.5008 -14.4998 -14.4998 -13.4823 -13.4823 -13.4615 -13.4615 -13.4577 -13.4577 -0.8406 -0.8406 2.1632 2.1632 6.0403 6.0403 6.3123 6.3123 7.7272 7.7272 9.2338 9.2338 9.2523 9.2523 11.0011 11.0011 k = 0.5000 0.2887 0.2041 ( 3906 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4515 -36.4515 -36.4514 -36.4514 -36.1636 -36.1636 -36.1635 -36.1635 -36.1633 -36.1633 -36.1633 -36.1633 -14.5008 -14.5008 -14.4998 -14.4998 -13.4823 -13.4823 -13.4615 -13.4615 -13.4577 -13.4577 -0.8406 -0.8406 2.1632 2.1632 6.0403 6.0403 6.3123 6.3123 7.7272 7.7272 9.2338 9.2338 9.2523 9.2523 11.0011 11.0011 k = 0.5043 0.2762 0.2112 ( 3928 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4515 -36.4515 -36.4514 -36.4514 -36.1637 -36.1637 -36.1636 -36.1636 -36.1633 -36.1633 -36.1633 -36.1633 -14.5011 -14.5011 -14.5000 -14.5000 -13.4825 -13.4825 -13.4617 -13.4617 -13.4579 -13.4579 -0.8397 -0.8397 2.1645 2.1645 6.0305 6.0305 6.3010 6.3010 7.7443 7.7443 9.2312 9.2312 9.2537 9.2537 11.0144 11.0144 k = 0.5086 0.2638 0.2182 ( 3945 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4515 -36.4515 -36.4515 -36.4515 -36.1638 -36.1638 -36.1637 -36.1637 -36.1632 -36.1632 -36.1632 -36.1632 -14.5012 -14.5012 -14.5001 -14.5001 -13.4826 -13.4826 -13.4618 -13.4618 -13.4581 -13.4581 -0.8369 -0.8369 2.1685 2.1685 5.9997 5.9997 6.2708 6.2708 7.7927 7.7927 9.2154 9.2154 9.2675 9.2675 11.0536 11.0536 k = 0.5129 0.2513 0.2252 ( 3944 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4515 -36.4515 -36.4515 -36.4515 -36.1639 -36.1639 -36.1639 -36.1639 -36.1631 -36.1631 -36.1631 -36.1631 -14.5012 -14.5012 -14.5001 -14.5001 -13.4826 -13.4826 -13.4618 -13.4618 -13.4580 -13.4580 -0.8322 -0.8322 2.1750 2.1750 5.9455 5.9455 6.2307 6.2307 7.8655 7.8655 9.1883 9.1883 9.2947 9.2947 11.1166 11.1166 k = 0.5172 0.2389 0.2323 ( 3942 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4515 -36.4515 -36.4515 -36.4515 -36.1641 -36.1641 -36.1640 -36.1640 -36.1630 -36.1630 -36.1629 -36.1629 -14.5012 -14.5012 -14.5001 -14.5001 -13.4826 -13.4826 -13.4618 -13.4618 -13.4580 -13.4580 -0.8256 -0.8256 2.1842 2.1842 5.8671 5.8671 6.1888 6.1888 7.9537 7.9537 9.1562 9.1562 9.3332 9.3332 11.2002 11.2002 k = 0.5216 0.2265 0.2393 ( 3945 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4515 -36.4515 -36.4515 -36.4515 -36.1642 -36.1642 -36.1641 -36.1641 -36.1629 -36.1629 -36.1628 -36.1628 -14.5012 -14.5012 -14.5001 -14.5001 -13.4826 -13.4826 -13.4618 -13.4618 -13.4580 -13.4580 -0.8172 -0.8172 2.1960 2.1960 5.7678 5.7678 6.1480 6.1480 8.0478 8.0478 9.1259 9.1259 9.3822 9.3822 11.3014 11.3014 k = 0.5259 0.2140 0.2464 ( 3941 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4515 -36.4515 -36.4515 -36.4515 -36.1643 -36.1643 -36.1642 -36.1642 -36.1627 -36.1627 -36.1627 -36.1627 -14.5012 -14.5012 -14.5001 -14.5001 -13.4826 -13.4826 -13.4617 -13.4617 -13.4580 -13.4580 -0.8069 -0.8069 2.2104 2.2104 5.6532 5.6532 6.1082 6.1082 8.1380 8.1380 9.1054 9.1054 9.4412 9.4412 11.4169 11.4169 k = 0.5302 0.2016 0.2534 ( 3945 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4515 -36.4515 -36.4515 -36.4515 -36.1644 -36.1644 -36.1644 -36.1644 -36.1626 -36.1626 -36.1625 -36.1625 -14.5012 -14.5012 -14.5001 -14.5001 -13.4826 -13.4826 -13.4617 -13.4617 -13.4581 -13.4581 -0.7950 -0.7950 2.2274 2.2274 5.5283 5.5283 6.0682 6.0682 8.2131 8.2131 9.1049 9.1049 9.5093 9.5093 11.5436 11.5436 k = 0.5345 0.1891 0.2604 ( 3951 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4515 -36.4515 -36.4515 -36.4515 -36.1646 -36.1646 -36.1645 -36.1645 -36.1625 -36.1625 -36.1624 -36.1624 -14.5012 -14.5012 -14.5001 -14.5001 -13.4826 -13.4826 -13.4617 -13.4617 -13.4582 -13.4582 -0.7813 -0.7813 2.2469 2.2469 5.3967 5.3967 6.0274 6.0274 8.2630 8.2630 9.1338 9.1338 9.5862 9.5862 11.6781 11.6781 k = 0.5388 0.1767 0.2675 ( 3953 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4515 -36.4515 -36.4515 -36.4515 -36.1647 -36.1647 -36.1646 -36.1646 -36.1624 -36.1624 -36.1623 -36.1623 -14.5012 -14.5012 -14.5001 -14.5001 -13.4826 -13.4826 -13.4617 -13.4617 -13.4582 -13.4582 -0.7659 -0.7659 2.2689 2.2689 5.2612 5.2612 5.9854 5.9854 8.2822 8.2822 9.1976 9.1976 9.6713 9.6713 11.8159 11.8159 k = 0.5431 0.1642 0.2745 ( 3953 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4515 -36.4515 -36.4515 -36.4515 -36.1648 -36.1648 -36.1648 -36.1648 -36.1622 -36.1622 -36.1622 -36.1622 -14.5012 -14.5012 -14.5001 -14.5001 -13.4825 -13.4825 -13.4616 -13.4616 -13.4582 -13.4582 -0.7490 -0.7490 2.2935 2.2935 5.1235 5.1235 5.9423 5.9423 8.2732 8.2732 9.2935 9.2935 9.7640 9.7640 11.9482 11.9482 k = 0.5474 0.1518 0.2816 ( 3951 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4515 -36.4515 -36.4515 -36.4515 -36.1650 -36.1650 -36.1649 -36.1649 -36.1621 -36.1621 -36.1620 -36.1620 -14.5012 -14.5012 -14.5001 -14.5001 -13.4825 -13.4825 -13.4616 -13.4616 -13.4582 -13.4582 -0.7306 -0.7306 2.3204 2.3204 4.9850 4.9850 5.8984 5.8984 8.2432 8.2432 9.4143 9.4143 9.8638 9.8638 12.0523 12.0523 k = 0.5517 0.1394 0.2886 ( 3951 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4516 -36.4516 -36.4515 -36.4515 -36.1651 -36.1651 -36.1650 -36.1650 -36.1620 -36.1620 -36.1619 -36.1619 -14.5011 -14.5011 -14.5001 -14.5001 -13.4824 -13.4824 -13.4615 -13.4615 -13.4583 -13.4583 -0.7108 -0.7108 2.3498 2.3498 4.8468 4.8468 5.8537 5.8537 8.1996 8.1996 9.5526 9.5526 9.9703 9.9703 12.0779 12.0779 k = 0.5560 0.1269 0.2956 ( 3953 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4516 -36.4516 -36.4515 -36.4515 -36.1652 -36.1652 -36.1651 -36.1651 -36.1619 -36.1619 -36.1618 -36.1618 -14.5011 -14.5011 -14.5001 -14.5001 -13.4824 -13.4824 -13.4615 -13.4615 -13.4583 -13.4583 -0.6897 -0.6897 2.3814 2.3814 4.7096 4.7096 5.8087 5.8087 8.1478 8.1478 9.7028 9.7028 10.0829 10.0829 12.0023 12.0023 k = 0.5603 0.1145 0.3027 ( 3957 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4516 -36.4516 -36.4515 -36.4515 -36.1653 -36.1653 -36.1652 -36.1652 -36.1618 -36.1618 -36.1617 -36.1617 -14.5011 -14.5011 -14.5001 -14.5001 -13.4824 -13.4824 -13.4614 -13.4614 -13.4584 -13.4584 -0.6674 -0.6674 2.4153 2.4153 4.5741 4.5741 5.7636 5.7636 8.0916 8.0916 9.8609 9.8609 10.2015 10.2015 11.8740 11.8740 k = 0.5647 0.1020 0.3097 ( 3949 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4516 -36.4516 -36.4514 -36.4514 -36.1654 -36.1654 -36.1652 -36.1652 -36.1617 -36.1617 -36.1615 -36.1615 -14.5011 -14.5011 -14.5000 -14.5000 -13.4823 -13.4823 -13.4613 -13.4613 -13.4584 -13.4584 -0.6441 -0.6441 2.4513 2.4513 4.4410 4.4410 5.7188 5.7188 8.0333 8.0333 10.0245 10.0245 10.3257 10.3257 11.7277 11.7277 k = 0.5690 0.0896 0.3167 ( 3950 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4516 -36.4516 -36.4514 -36.4514 -36.1655 -36.1655 -36.1653 -36.1653 -36.1616 -36.1616 -36.1614 -36.1614 -14.5010 -14.5010 -14.5000 -14.5000 -13.4822 -13.4822 -13.4612 -13.4612 -13.4585 -13.4585 -0.6200 -0.6200 2.4893 2.4893 4.3110 4.3110 5.6744 5.6744 7.9745 7.9745 10.1913 10.1913 10.4551 10.4551 11.5760 11.5760 k = 0.5733 0.0771 0.3238 ( 3954 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4517 -36.4517 -36.4514 -36.4514 -36.1657 -36.1657 -36.1654 -36.1654 -36.1616 -36.1616 -36.1613 -36.1613 -14.5010 -14.5010 -14.5000 -14.5000 -13.4822 -13.4822 -13.4611 -13.4611 -13.4585 -13.4585 -0.5952 -0.5952 2.5290 2.5290 4.1845 4.1845 5.6307 5.6307 7.9162 7.9162 10.3590 10.3590 10.5897 10.5897 11.4246 11.4246 k = 0.5776 0.0647 0.3308 ( 3956 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4517 -36.4517 -36.4514 -36.4514 -36.1658 -36.1658 -36.1655 -36.1655 -36.1615 -36.1615 -36.1612 -36.1612 -14.5010 -14.5010 -14.5000 -14.5000 -13.4822 -13.4822 -13.4611 -13.4611 -13.4586 -13.4586 -0.5699 -0.5699 2.5702 2.5702 4.0624 4.0624 5.5880 5.5880 7.8593 7.8593 10.5240 10.5240 10.7290 10.7290 11.2787 11.2787 k = 0.5819 0.0523 0.3379 ( 3955 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4517 -36.4517 -36.4514 -36.4514 -36.1659 -36.1659 -36.1656 -36.1656 -36.1614 -36.1614 -36.1611 -36.1611 -14.5010 -14.5010 -14.5000 -14.5000 -13.4821 -13.4821 -13.4610 -13.4610 -13.4587 -13.4587 -0.5444 -0.5444 2.6126 2.6126 3.9452 3.9452 5.5464 5.5464 7.8041 7.8041 10.6750 10.6750 10.8721 10.8721 11.1508 11.1508 k = 0.5862 0.0398 0.3449 ( 3952 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4517 -36.4517 -36.4513 -36.4513 -36.1660 -36.1660 -36.1656 -36.1656 -36.1614 -36.1614 -36.1610 -36.1610 -14.5009 -14.5009 -14.4999 -14.4999 -13.4821 -13.4821 -13.4609 -13.4609 -13.4587 -13.4587 -0.5189 -0.5189 2.6556 2.6556 3.8341 3.8341 5.5062 5.5062 7.7511 7.7511 10.7634 10.7634 11.0098 11.0098 11.0984 11.0984 k = 0.5905 0.0274 0.3519 ( 3954 PWs) bands (ev): -69.5112 -69.5112 -69.5111 -69.5111 -36.4518 -36.4518 -36.4513 -36.4513 -36.1661 -36.1661 -36.1657 -36.1657 -36.1613 -36.1613 -36.1609 -36.1609 -14.5009 -14.5009 -14.4999 -14.4999 -13.4821 -13.4821 -13.4608 -13.4608 -13.4587 -13.4587 -0.4937 -0.4937 2.6984 2.6984 3.7301 3.7301 5.4674 5.4674 7.7005 7.7005 10.7110 10.7110 11.1335 11.1335 11.2083 11.2083 k = 0.5948 0.0149 0.3590 ( 3954 PWs) bands (ev): -69.5112 -69.5112 -69.5111 -69.5111 -36.4518 -36.4518 -36.4513 -36.4513 -36.1662 -36.1662 -36.1657 -36.1657 -36.1613 -36.1613 -36.1608 -36.1608 -14.5009 -14.5009 -14.4999 -14.4999 -13.4820 -13.4820 -13.4607 -13.4607 -13.4588 -13.4588 -0.4692 -0.4692 2.7397 2.7397 3.6348 3.6348 5.4302 5.4302 7.6526 7.6526 10.5897 10.5897 11.2815 11.2815 11.3699 11.3699 k = 0.5991 0.0025 0.3660 ( 3956 PWs) bands (ev): -69.5112 -69.5112 -69.5111 -69.5111 -36.4518 -36.4518 -36.4513 -36.4513 -36.1663 -36.1663 -36.1657 -36.1657 -36.1613 -36.1613 -36.1607 -36.1607 -14.5009 -14.5009 -14.4999 -14.4999 -13.4821 -13.4821 -13.4606 -13.4606 -13.4588 -13.4588 -0.4457 -0.4457 2.7779 2.7779 3.5505 3.5505 5.3948 5.3948 7.6075 7.6075 10.4534 10.4534 11.4398 11.4398 11.5429 11.5429 k = 0.6034-0.0100 0.3731 ( 3952 PWs) bands (ev): -69.5112 -69.5112 -69.5111 -69.5111 -36.4519 -36.4519 -36.4512 -36.4512 -36.1664 -36.1664 -36.1658 -36.1658 -36.1612 -36.1612 -36.1606 -36.1606 -14.5009 -14.5009 -14.4998 -14.4998 -13.4820 -13.4820 -13.4605 -13.4605 -13.4588 -13.4588 -0.4236 -0.4236 2.8100 2.8100 3.4804 3.4804 5.3612 5.3612 7.5653 7.5653 10.3141 10.3141 11.6013 11.6013 11.7216 11.7216 k = 0.6078-0.0224 0.3801 ( 3954 PWs) bands (ev): -69.5112 -69.5112 -69.5111 -69.5111 -36.4519 -36.4519 -36.4512 -36.4512 -36.1665 -36.1665 -36.1658 -36.1658 -36.1612 -36.1612 -36.1605 -36.1605 -14.5009 -14.5009 -14.4998 -14.4998 -13.4820 -13.4820 -13.4605 -13.4605 -13.4589 -13.4589 -0.4033 -0.4033 2.8326 2.8326 3.4285 3.4285 5.3296 5.3296 7.5262 7.5262 10.1751 10.1751 11.7643 11.7643 11.9030 11.9030 k = 0.6121-0.0348 0.3871 ( 3955 PWs) bands (ev): -69.5112 -69.5112 -69.5111 -69.5111 -36.4519 -36.4519 -36.4512 -36.4512 -36.1666 -36.1666 -36.1658 -36.1658 -36.1612 -36.1612 -36.1604 -36.1604 -14.5009 -14.5009 -14.4998 -14.4998 -13.4820 -13.4820 -13.4604 -13.4604 -13.4589 -13.4589 -0.3852 -0.3852 2.8418 2.8418 3.3991 3.3991 5.3000 5.3000 7.4901 7.4901 10.0377 10.0377 11.9279 11.9279 12.0841 12.0841 k = 0.6164-0.0473 0.3942 ( 3957 PWs) bands (ev): -69.5112 -69.5112 -69.5111 -69.5111 -36.4520 -36.4520 -36.4512 -36.4512 -36.1667 -36.1667 -36.1658 -36.1658 -36.1612 -36.1612 -36.1603 -36.1603 -14.5009 -14.5009 -14.4998 -14.4998 -13.4820 -13.4820 -13.4604 -13.4604 -13.4589 -13.4589 -0.3699 -0.3699 2.8361 2.8361 3.3940 3.3940 5.2725 5.2725 7.4573 7.4573 9.9024 9.9024 12.0900 12.0900 12.2586 12.2586 k = 0.6207-0.0597 0.4012 ( 3943 PWs) bands (ev): -69.5112 -69.5112 -69.5111 -69.5111 -36.4520 -36.4520 -36.4511 -36.4511 -36.1667 -36.1667 -36.1658 -36.1658 -36.1612 -36.1612 -36.1602 -36.1602 -14.5008 -14.5008 -14.4996 -14.4996 -13.4819 -13.4819 -13.4602 -13.4602 -13.4588 -13.4588 -0.3577 -0.3577 2.8179 2.8179 3.4116 3.4116 5.2473 5.2473 7.4277 7.4277 9.7697 9.7697 12.2437 12.2437 12.4041 12.4041 k = 0.6250-0.0722 0.4082 ( 3953 PWs) bands (ev): -69.5113 -69.5113 -69.5111 -69.5111 -36.4521 -36.4521 -36.4511 -36.4511 -36.1668 -36.1668 -36.1658 -36.1658 -36.1612 -36.1612 -36.1602 -36.1602 -14.5009 -14.5009 -14.4997 -14.4997 -13.4820 -13.4820 -13.4603 -13.4603 -13.4589 -13.4589 -0.3491 -0.3491 2.7921 2.7921 3.4470 3.4470 5.2242 5.2242 7.4014 7.4014 9.6398 9.6398 12.3586 12.3586 12.4871 12.4871 k = 0.6250-0.0722 0.4082 ( 3953 PWs) bands (ev): -69.5113 -69.5113 -69.5111 -69.5111 -36.4521 -36.4521 -36.4511 -36.4511 -36.1668 -36.1668 -36.1658 -36.1658 -36.1612 -36.1612 -36.1602 -36.1602 -14.5009 -14.5009 -14.4997 -14.4997 -13.4820 -13.4820 -13.4603 -13.4603 -13.4589 -13.4589 -0.3491 -0.3491 2.7921 2.7921 3.4470 3.4470 5.2242 5.2242 7.4014 7.4014 9.6398 9.6398 12.3586 12.3586 12.4871 12.4871 k = 0.6176-0.0679 0.4203 ( 3948 PWs) bands (ev): -69.5113 -69.5113 -69.5111 -69.5111 -36.4520 -36.4520 -36.4511 -36.4511 -36.1668 -36.1668 -36.1658 -36.1658 -36.1612 -36.1612 -36.1602 -36.1602 -14.5008 -14.5008 -14.4997 -14.4997 -13.4819 -13.4819 -13.4602 -13.4602 -13.4589 -13.4589 -0.3487 -0.3487 2.7935 2.7935 3.4472 3.4472 5.2129 5.2129 7.4173 7.4173 9.6409 9.6409 12.2963 12.2963 12.4039 12.4039 k = 0.6103-0.0637 0.4323 ( 3948 PWs) bands (ev): -69.5113 -69.5113 -69.5111 -69.5111 -36.4520 -36.4520 -36.4511 -36.4511 -36.1668 -36.1668 -36.1658 -36.1658 -36.1612 -36.1612 -36.1602 -36.1602 -14.5009 -14.5009 -14.4997 -14.4997 -13.4819 -13.4819 -13.4602 -13.4602 -13.4589 -13.4589 -0.3474 -0.3474 2.7977 2.7977 3.4477 3.4477 5.1798 5.1798 7.4640 7.4640 9.6442 9.6442 12.1672 12.1672 12.2646 12.2646 k = 0.6029-0.0594 0.4443 ( 3951 PWs) bands (ev): -69.5113 -69.5113 -69.5111 -69.5111 -36.4520 -36.4520 -36.4511 -36.4511 -36.1668 -36.1668 -36.1658 -36.1658 -36.1612 -36.1612 -36.1602 -36.1602 -14.5009 -14.5009 -14.4997 -14.4997 -13.4819 -13.4819 -13.4602 -13.4602 -13.4590 -13.4590 -0.3453 -0.3453 2.8046 2.8046 3.4485 3.4485 5.1280 5.1280 7.5388 7.5388 9.6496 9.6496 12.0206 12.0206 12.1139 12.1139 k = 0.5956-0.0552 0.4563 ( 3953 PWs) bands (ev): -69.5113 -69.5113 -69.5111 -69.5111 -36.4520 -36.4520 -36.4511 -36.4511 -36.1668 -36.1668 -36.1658 -36.1658 -36.1612 -36.1612 -36.1602 -36.1602 -14.5009 -14.5009 -14.4997 -14.4997 -13.4820 -13.4820 -13.4602 -13.4602 -13.4590 -13.4590 -0.3425 -0.3425 2.8143 2.8143 3.4493 3.4493 5.0614 5.0614 7.6377 7.6377 9.6572 9.6572 11.8694 11.8694 11.9600 11.9600 k = 0.5882-0.0509 0.4683 ( 3951 PWs) bands (ev): -69.5113 -69.5113 -69.5111 -69.5111 -36.4520 -36.4520 -36.4511 -36.4511 -36.1668 -36.1668 -36.1658 -36.1658 -36.1611 -36.1611 -36.1602 -36.1602 -14.5009 -14.5009 -14.4997 -14.4997 -13.4819 -13.4819 -13.4602 -13.4602 -13.4590 -13.4590 -0.3389 -0.3389 2.8268 2.8268 3.4498 3.4498 4.9843 4.9843 7.7570 7.7570 9.6668 9.6668 11.7172 11.7172 11.8055 11.8055 k = 0.5809-0.0467 0.4803 ( 3951 PWs) bands (ev): -69.5112 -69.5112 -69.5111 -69.5111 -36.4520 -36.4520 -36.4511 -36.4511 -36.1668 -36.1668 -36.1659 -36.1659 -36.1611 -36.1611 -36.1602 -36.1602 -14.5009 -14.5009 -14.4997 -14.4997 -13.4819 -13.4819 -13.4602 -13.4602 -13.4590 -13.4590 -0.3347 -0.3347 2.8421 2.8421 3.4496 3.4496 4.9007 4.9007 7.8931 7.8931 9.6785 9.6785 11.5656 11.5656 11.6517 11.6517 k = 0.5735-0.0425 0.4923 ( 3965 PWs) bands (ev): -69.5113 -69.5113 -69.5111 -69.5111 -36.4520 -36.4520 -36.4512 -36.4512 -36.1668 -36.1668 -36.1659 -36.1659 -36.1611 -36.1611 -36.1603 -36.1603 -14.5010 -14.5010 -14.4998 -14.4998 -13.4820 -13.4820 -13.4603 -13.4603 -13.4591 -13.4591 -0.3300 -0.3300 2.8600 2.8600 3.4482 3.4482 4.8140 4.8140 8.0429 8.0429 9.6921 9.6921 11.4153 11.4153 11.4993 11.4993 k = 0.5662-0.0382 0.5043 ( 3964 PWs) bands (ev): -69.5112 -69.5112 -69.5111 -69.5111 -36.4520 -36.4520 -36.4512 -36.4512 -36.1667 -36.1667 -36.1659 -36.1659 -36.1611 -36.1611 -36.1603 -36.1603 -14.5010 -14.5010 -14.4998 -14.4998 -13.4820 -13.4820 -13.4602 -13.4602 -13.4592 -13.4592 -0.3248 -0.3248 2.8807 2.8807 3.4451 3.4451 4.7275 4.7275 8.2041 8.2041 9.7076 9.7076 11.2668 11.2668 11.3489 11.3489 k = 0.5588-0.0340 0.5163 ( 3957 PWs) bands (ev): -69.5112 -69.5112 -69.5111 -69.5111 -36.4519 -36.4519 -36.4512 -36.4512 -36.1667 -36.1667 -36.1660 -36.1660 -36.1610 -36.1610 -36.1603 -36.1603 -14.5009 -14.5009 -14.4998 -14.4998 -13.4820 -13.4820 -13.4601 -13.4601 -13.4591 -13.4591 -0.3193 -0.3193 2.9040 2.9040 3.4392 3.4392 4.6439 4.6439 8.3745 8.3745 9.7248 9.7248 11.1204 11.1204 11.2010 11.2010 k = 0.5515-0.0297 0.5283 ( 3957 PWs) bands (ev): -69.5112 -69.5112 -69.5111 -69.5111 -36.4519 -36.4519 -36.4513 -36.4513 -36.1667 -36.1667 -36.1660 -36.1660 -36.1610 -36.1610 -36.1603 -36.1603 -14.5008 -14.5008 -14.4998 -14.4998 -13.4820 -13.4820 -13.4601 -13.4601 -13.4592 -13.4592 -0.3136 -0.3136 2.9299 2.9299 3.4299 3.4299 4.5656 4.5656 8.5526 8.5526 9.7434 9.7434 10.9764 10.9764 11.0561 11.0561 k = 0.5441-0.0255 0.5403 ( 3963 PWs) bands (ev): -69.5112 -69.5112 -69.5111 -69.5111 -36.4519 -36.4519 -36.4513 -36.4513 -36.1666 -36.1666 -36.1661 -36.1661 -36.1610 -36.1610 -36.1604 -36.1604 -14.5009 -14.5009 -14.4999 -14.4999 -13.4820 -13.4820 -13.4601 -13.4601 -13.4593 -13.4593 -0.3080 -0.3080 2.9582 2.9582 3.4162 3.4162 4.4950 4.4950 8.7369 8.7369 9.7633 9.7633 10.8350 10.8350 10.9150 10.9150 k = 0.5368-0.0212 0.5523 ( 3959 PWs) bands (ev): -69.5112 -69.5112 -69.5111 -69.5111 -36.4518 -36.4518 -36.4513 -36.4513 -36.1666 -36.1666 -36.1661 -36.1661 -36.1609 -36.1609 -36.1604 -36.1604 -14.5008 -14.5008 -14.4999 -14.4999 -13.4820 -13.4820 -13.4600 -13.4600 -13.4592 -13.4592 -0.3026 -0.3026 2.9889 2.9889 3.3974 3.3974 4.4339 4.4339 8.9257 8.9257 9.7840 9.7840 10.6960 10.6960 10.7791 10.7791 k = 0.5294-0.0170 0.5643 ( 3955 PWs) bands (ev): -69.5112 -69.5112 -69.5111 -69.5111 -36.4518 -36.4518 -36.4514 -36.4514 -36.1666 -36.1666 -36.1661 -36.1661 -36.1609 -36.1609 -36.1604 -36.1604 -14.5007 -14.5007 -14.4998 -14.4998 -13.4819 -13.4819 -13.4599 -13.4599 -13.4593 -13.4593 -0.2976 -0.2976 3.0216 3.0216 3.3733 3.3733 4.3837 4.3837 9.1168 9.1168 9.8053 9.8053 10.5594 10.5594 10.6505 10.6505 k = 0.5221-0.0127 0.5764 ( 3961 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4517 -36.4517 -36.4514 -36.4514 -36.1665 -36.1665 -36.1662 -36.1662 -36.1608 -36.1608 -36.1605 -36.1605 -14.5008 -14.5008 -14.4999 -14.4999 -13.4819 -13.4819 -13.4600 -13.4600 -13.4594 -13.4594 -0.2932 -0.2932 3.0556 3.0556 3.3442 3.3442 4.3453 4.3453 9.3061 9.3061 9.8277 9.8277 10.4248 10.4248 10.5327 10.5327 k = 0.5147-0.0085 0.5884 ( 3969 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4517 -36.4517 -36.4515 -36.4515 -36.1665 -36.1665 -36.1663 -36.1663 -36.1608 -36.1608 -36.1606 -36.1606 -14.5008 -14.5008 -14.5000 -14.5000 -13.4820 -13.4820 -13.4600 -13.4600 -13.4595 -13.4595 -0.2898 -0.2898 3.0896 3.0896 3.3123 3.3123 4.3187 4.3187 9.4828 9.4828 9.8564 9.8564 10.2919 10.2919 10.4313 10.4313 k = 0.5074-0.0042 0.6004 ( 3972 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4517 -36.4517 -36.4515 -36.4515 -36.1664 -36.1664 -36.1663 -36.1663 -36.1607 -36.1607 -36.1606 -36.1606 -14.5009 -14.5009 -14.5000 -14.5000 -13.4821 -13.4821 -13.4600 -13.4600 -13.4595 -13.4595 -0.2875 -0.2875 3.1192 3.1192 3.2828 3.2828 4.3035 4.3035 9.6145 9.6145 9.9140 9.9140 10.1610 10.1610 10.3558 10.3558 k = 0.5000 0.0000 0.6124 ( 3972 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4516 -36.4516 -36.4516 -36.4516 -36.1664 -36.1664 -36.1663 -36.1663 -36.1607 -36.1607 -36.1606 -36.1606 -14.5009 -14.5009 -14.5000 -14.5000 -13.4821 -13.4821 -13.4600 -13.4600 -13.4595 -13.4595 -0.2867 -0.2867 3.1329 3.1329 3.2688 3.2688 4.2987 4.2987 9.6573 9.6573 10.0105 10.0105 10.0484 10.0484 10.3235 10.3235 k = 0.5000 0.0000 0.6124 ( 3972 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4516 -36.4516 -36.4516 -36.4516 -36.1664 -36.1664 -36.1663 -36.1663 -36.1607 -36.1607 -36.1606 -36.1606 -14.5009 -14.5009 -14.5000 -14.5000 -13.4821 -13.4821 -13.4600 -13.4600 -13.4595 -13.4595 -0.2867 -0.2867 3.1329 3.1329 3.2688 3.2688 4.2987 4.2987 9.6573 9.6573 10.0105 10.0105 10.0484 10.0484 10.3235 10.3235 k = 0.5000 0.0087 0.6000 ( 3972 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4516 -36.4516 -36.4516 -36.4516 -36.1664 -36.1664 -36.1663 -36.1663 -36.1607 -36.1607 -36.1606 -36.1606 -14.5009 -14.5009 -14.5000 -14.5000 -13.4821 -13.4821 -13.4600 -13.4600 -13.4595 -13.4595 -0.2884 -0.2884 3.1322 3.1322 3.2683 3.2683 4.3063 4.3063 9.6371 9.6371 9.9959 9.9959 10.0618 10.0618 10.3509 10.3509 k = 0.5000 0.0175 0.5876 ( 3968 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4516 -36.4516 -36.4516 -36.4516 -36.1664 -36.1664 -36.1663 -36.1663 -36.1607 -36.1607 -36.1606 -36.1606 -14.5008 -14.5008 -14.5000 -14.5000 -13.4820 -13.4820 -13.4600 -13.4600 -13.4595 -13.4595 -0.2934 -0.2934 3.1279 3.1279 3.2694 3.2694 4.3287 4.3287 9.5874 9.5874 9.9418 9.9418 10.1182 10.1182 10.4163 10.4163 k = 0.5000 0.0262 0.5753 ( 3958 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4516 -36.4516 -36.4516 -36.4516 -36.1664 -36.1664 -36.1663 -36.1663 -36.1607 -36.1607 -36.1607 -36.1607 -14.5008 -14.5008 -14.4999 -14.4999 -13.4819 -13.4819 -13.4600 -13.4600 -13.4593 -13.4593 -0.3017 -0.3017 3.1155 3.1155 3.2779 3.2779 4.3645 4.3645 9.5242 9.5242 9.8722 9.8722 10.1981 10.1981 10.4994 10.4994 k = 0.5000 0.0350 0.5629 ( 3956 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4516 -36.4516 -36.4516 -36.4516 -36.1663 -36.1663 -36.1663 -36.1663 -36.1607 -36.1607 -36.1607 -36.1607 -14.5008 -14.5008 -14.4999 -14.4999 -13.4819 -13.4819 -13.4600 -13.4600 -13.4593 -13.4593 -0.3130 -0.3130 3.0919 3.0919 3.2985 3.2985 4.4118 4.4118 9.4563 9.4563 9.7979 9.7979 10.2902 10.2902 10.5915 10.5915 k = 0.5000 0.0437 0.5505 ( 3956 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4516 -36.4516 -36.4516 -36.4516 -36.1663 -36.1663 -36.1662 -36.1662 -36.1608 -36.1608 -36.1607 -36.1607 -14.5008 -14.5008 -14.4999 -14.4999 -13.4819 -13.4819 -13.4601 -13.4601 -13.4592 -13.4592 -0.3272 -0.3272 3.0584 3.0584 3.3316 3.3316 4.4687 4.4687 9.3880 9.3880 9.7228 9.7228 10.3899 10.3899 10.6893 10.6893 k = 0.5000 0.0525 0.5381 ( 3950 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4516 -36.4516 -36.4516 -36.4516 -36.1663 -36.1663 -36.1662 -36.1662 -36.1608 -36.1608 -36.1607 -36.1607 -14.5007 -14.5007 -14.4999 -14.4999 -13.4819 -13.4819 -13.4601 -13.4601 -13.4591 -13.4591 -0.3440 -0.3440 3.0177 3.0177 3.3757 3.3757 4.5334 4.5334 9.3213 9.3213 9.6483 9.6483 10.4952 10.4952 10.7912 10.7912 k = 0.5000 0.0612 0.5258 ( 3952 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4516 -36.4516 -36.4516 -36.4516 -36.1662 -36.1662 -36.1661 -36.1661 -36.1608 -36.1608 -36.1608 -36.1608 -14.5007 -14.5007 -14.4999 -14.4999 -13.4819 -13.4819 -13.4602 -13.4602 -13.4591 -13.4591 -0.3632 -0.3632 2.9725 2.9725 3.4296 3.4296 4.6042 4.6042 9.2572 9.2572 9.5750 9.5750 10.6051 10.6051 10.8967 10.8967 k = 0.5000 0.0700 0.5134 ( 3954 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4516 -36.4516 -36.4516 -36.4516 -36.1662 -36.1662 -36.1661 -36.1661 -36.1609 -36.1609 -36.1608 -36.1608 -14.5008 -14.5008 -14.4999 -14.4999 -13.4820 -13.4820 -13.4603 -13.4603 -13.4590 -13.4590 -0.3843 -0.3843 2.9245 2.9245 3.4921 3.4921 4.6800 4.6800 9.1964 9.1964 9.5034 9.5034 10.7188 10.7188 11.0054 11.0054 k = 0.5000 0.0787 0.5010 ( 3956 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4516 -36.4516 -36.4516 -36.4516 -36.1661 -36.1661 -36.1661 -36.1661 -36.1609 -36.1609 -36.1609 -36.1609 -14.5008 -14.5008 -14.5000 -14.5000 -13.4820 -13.4820 -13.4604 -13.4604 -13.4590 -13.4590 -0.4071 -0.4071 2.8750 2.8750 3.5626 3.5626 4.7596 4.7596 9.1394 9.1394 9.4335 9.4335 10.8359 10.8359 11.1169 11.1169 k = 0.5000 0.0875 0.4887 ( 3960 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4516 -36.4516 -36.4516 -36.4516 -36.1661 -36.1661 -36.1660 -36.1660 -36.1610 -36.1610 -36.1609 -36.1609 -14.5009 -14.5009 -14.5000 -14.5000 -13.4821 -13.4821 -13.4606 -13.4606 -13.4589 -13.4589 -0.4313 -0.4313 2.8249 2.8249 3.6404 3.6404 4.8421 4.8421 9.0866 9.0866 9.3653 9.3653 10.9560 10.9560 11.2313 11.2313 k = 0.5000 0.0962 0.4763 ( 3962 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4516 -36.4516 -36.4516 -36.4516 -36.1660 -36.1660 -36.1659 -36.1659 -36.1611 -36.1611 -36.1610 -36.1610 -14.5009 -14.5009 -14.5000 -14.5000 -13.4821 -13.4821 -13.4607 -13.4607 -13.4589 -13.4589 -0.4565 -0.4565 2.7749 2.7749 3.7251 3.7251 4.9267 4.9267 9.0382 9.0382 9.2989 9.2989 11.0788 11.0788 11.3482 11.3482 k = 0.5000 0.1050 0.4639 ( 3956 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4516 -36.4516 -36.4515 -36.4515 -36.1659 -36.1659 -36.1659 -36.1659 -36.1611 -36.1611 -36.1611 -36.1611 -14.5009 -14.5009 -14.5000 -14.5000 -13.4821 -13.4821 -13.4607 -13.4607 -13.4588 -13.4588 -0.4825 -0.4825 2.7256 2.7256 3.8162 3.8162 5.0128 5.0128 8.9947 8.9947 9.2343 9.2343 11.2039 11.2039 11.4677 11.4677 k = 0.5000 0.1137 0.4515 ( 3954 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4516 -36.4516 -36.4515 -36.4515 -36.1659 -36.1659 -36.1658 -36.1658 -36.1612 -36.1612 -36.1611 -36.1611 -14.5009 -14.5009 -14.5000 -14.5000 -13.4821 -13.4821 -13.4608 -13.4608 -13.4587 -13.4587 -0.5089 -0.5089 2.6774 2.6774 3.9134 3.9134 5.0996 5.0996 8.9561 8.9561 9.1712 9.1712 11.3305 11.3305 11.5895 11.5895 k = 0.5000 0.1225 0.4392 ( 3952 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4516 -36.4516 -36.4515 -36.4515 -36.1658 -36.1658 -36.1657 -36.1657 -36.1613 -36.1613 -36.1612 -36.1612 -14.5009 -14.5009 -14.5000 -14.5000 -13.4821 -13.4821 -13.4609 -13.4609 -13.4587 -13.4587 -0.5354 -0.5354 2.6304 2.6304 4.0161 4.0161 5.1866 5.1866 8.9229 8.9229 9.1095 9.1095 11.4561 11.4561 11.7089 11.7089 k = 0.5000 0.1312 0.4268 ( 3956 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4516 -36.4516 -36.4515 -36.4515 -36.1657 -36.1657 -36.1656 -36.1656 -36.1614 -36.1614 -36.1613 -36.1613 -14.5010 -14.5010 -14.5000 -14.5000 -13.4822 -13.4822 -13.4610 -13.4610 -13.4586 -13.4586 -0.5619 -0.5619 2.5851 2.5851 4.1240 4.1240 5.2732 5.2732 8.8951 8.8951 9.0490 9.0490 11.5045 11.5045 11.6170 11.6170 k = 0.5000 0.1400 0.4144 ( 3956 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4516 -36.4516 -36.4515 -36.4515 -36.1656 -36.1656 -36.1655 -36.1655 -36.1615 -36.1615 -36.1614 -36.1614 -14.5010 -14.5010 -14.5000 -14.5000 -13.4822 -13.4822 -13.4611 -13.4611 -13.4586 -13.4586 -0.5880 -0.5880 2.5415 2.5415 4.2367 4.2367 5.3588 5.3588 8.8728 8.8728 8.9897 8.9897 11.3005 11.3005 11.7284 11.7284 k = 0.5000 0.1487 0.4021 ( 3956 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4516 -36.4516 -36.4515 -36.4515 -36.1655 -36.1655 -36.1654 -36.1654 -36.1616 -36.1616 -36.1615 -36.1615 -14.5011 -14.5011 -14.5000 -14.5000 -13.4823 -13.4823 -13.4612 -13.4612 -13.4585 -13.4585 -0.6136 -0.6136 2.5000 2.5000 4.3539 4.3539 5.4428 5.4428 8.8555 8.8555 8.9319 8.9319 11.0850 11.0850 11.8539 11.8539 k = 0.5000 0.1575 0.3897 ( 3952 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4515 -36.4515 -36.4515 -36.4515 -36.1654 -36.1654 -36.1653 -36.1653 -36.1616 -36.1616 -36.1616 -36.1616 -14.5010 -14.5010 -14.5000 -14.5000 -13.4823 -13.4823 -13.4612 -13.4612 -13.4585 -13.4585 -0.6385 -0.6385 2.4604 2.4604 4.4751 4.4751 5.5248 5.5248 8.8382 8.8382 8.8803 8.8803 10.8744 10.8744 11.9743 11.9743 k = 0.5000 0.1662 0.3773 ( 3952 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4515 -36.4515 -36.4515 -36.4515 -36.1653 -36.1653 -36.1652 -36.1652 -36.1618 -36.1618 -36.1617 -36.1617 -14.5011 -14.5011 -14.5000 -14.5000 -13.4823 -13.4823 -13.4613 -13.4613 -13.4584 -13.4584 -0.6625 -0.6625 2.4231 2.4231 4.6000 4.6000 5.6041 5.6041 8.7975 8.7975 8.8578 8.8578 10.6705 10.6705 12.0797 12.0797 k = 0.5000 0.1750 0.3649 ( 3954 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4515 -36.4515 -36.4515 -36.4515 -36.1652 -36.1652 -36.1651 -36.1651 -36.1619 -36.1619 -36.1618 -36.1618 -14.5011 -14.5011 -14.5001 -14.5001 -13.4824 -13.4824 -13.4615 -13.4615 -13.4584 -13.4584 -0.6854 -0.6854 2.3881 2.3881 4.7279 4.7279 5.6803 5.6803 8.7386 8.7386 8.8583 8.8583 10.4750 10.4750 12.1501 12.1501 k = 0.5000 0.1837 0.3526 ( 3954 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4515 -36.4515 -36.4515 -36.4515 -36.1651 -36.1651 -36.1650 -36.1650 -36.1620 -36.1620 -36.1619 -36.1619 -14.5012 -14.5012 -14.5001 -14.5001 -13.4824 -13.4824 -13.4615 -13.4615 -13.4583 -13.4583 -0.7071 -0.7071 2.3554 2.3554 4.8586 4.8586 5.7528 5.7528 8.6740 8.6740 8.8684 8.8684 10.2893 10.2893 12.1543 12.1543 k = 0.5000 0.1925 0.3402 ( 3952 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4515 -36.4515 -36.4515 -36.4515 -36.1650 -36.1650 -36.1649 -36.1649 -36.1621 -36.1621 -36.1620 -36.1620 -14.5012 -14.5012 -14.5000 -14.5000 -13.4825 -13.4825 -13.4616 -13.4616 -13.4583 -13.4583 -0.7274 -0.7274 2.3251 2.3251 4.9912 4.9912 5.8212 5.8212 8.6047 8.6047 8.8860 8.8860 10.1151 10.1151 12.0835 12.0835 k = 0.5000 0.2012 0.3278 ( 3952 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4515 -36.4515 -36.4515 -36.4515 -36.1648 -36.1648 -36.1648 -36.1648 -36.1622 -36.1622 -36.1622 -36.1622 -14.5012 -14.5012 -14.5000 -14.5000 -13.4825 -13.4825 -13.4616 -13.4616 -13.4582 -13.4582 -0.7464 -0.7464 2.2973 2.2973 5.1250 5.1250 5.8853 5.8853 8.5297 8.5297 8.9104 8.9104 9.9543 9.9543 11.9666 11.9666 k = 0.5000 0.2099 0.3155 ( 3948 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4515 -36.4515 -36.4515 -36.4515 -36.1647 -36.1647 -36.1646 -36.1646 -36.1623 -36.1623 -36.1623 -36.1623 -14.5012 -14.5012 -14.5000 -14.5000 -13.4825 -13.4825 -13.4616 -13.4616 -13.4582 -13.4582 -0.7638 -0.7638 2.2721 2.2721 5.2591 5.2591 5.9448 5.9448 8.4482 8.4482 8.9410 8.9410 9.8088 9.8088 11.8314 11.8314 k = 0.5000 0.2187 0.3031 ( 3956 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4515 -36.4515 -36.4515 -36.4515 -36.1646 -36.1646 -36.1645 -36.1645 -36.1625 -36.1625 -36.1624 -36.1624 -14.5013 -14.5013 -14.5002 -14.5002 -13.4826 -13.4826 -13.4618 -13.4618 -13.4582 -13.4582 -0.7796 -0.7796 2.2494 2.2494 5.3921 5.3921 5.9997 5.9997 8.3596 8.3596 8.9770 8.9770 9.6801 9.6801 11.6920 11.6920 k = 0.5000 0.2274 0.2907 ( 3950 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4515 -36.4515 -36.4515 -36.4515 -36.1645 -36.1645 -36.1644 -36.1644 -36.1626 -36.1626 -36.1625 -36.1625 -14.5012 -14.5012 -14.5001 -14.5001 -13.4826 -13.4826 -13.4618 -13.4618 -13.4581 -13.4581 -0.7936 -0.7936 2.2293 2.2293 5.5222 5.5222 6.0504 6.0504 8.2642 8.2642 9.0174 9.0174 9.5692 9.5692 11.5557 11.5557 k = 0.5000 0.2362 0.2784 ( 3942 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4515 -36.4515 -36.4515 -36.4515 -36.1643 -36.1643 -36.1643 -36.1643 -36.1627 -36.1627 -36.1626 -36.1626 -14.5012 -14.5012 -14.5001 -14.5001 -13.4825 -13.4825 -13.4617 -13.4617 -13.4580 -13.4580 -0.8060 -0.8060 2.2118 2.2118 5.6467 5.6467 6.0973 6.0973 8.1637 8.1637 9.0606 9.0606 9.4764 9.4764 11.4269 11.4269 k = 0.5000 0.2449 0.2660 ( 3940 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4515 -36.4515 -36.4515 -36.4515 -36.1642 -36.1642 -36.1641 -36.1641 -36.1628 -36.1628 -36.1628 -36.1628 -14.5012 -14.5012 -14.5000 -14.5000 -13.4826 -13.4826 -13.4617 -13.4617 -13.4580 -13.4580 -0.8165 -0.8165 2.1970 2.1970 5.7619 5.7619 6.1417 6.1417 8.0610 8.0610 9.1046 9.1046 9.4010 9.4010 11.3091 11.3091 k = 0.5000 0.2537 0.2536 ( 3940 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4515 -36.4515 -36.4515 -36.4515 -36.1641 -36.1641 -36.1640 -36.1640 -36.1630 -36.1630 -36.1629 -36.1629 -14.5012 -14.5012 -14.5001 -14.5001 -13.4826 -13.4826 -13.4618 -13.4618 -13.4580 -13.4580 -0.8251 -0.8251 2.1849 2.1849 5.8625 5.8625 6.1851 6.1851 7.9608 7.9608 9.1470 9.1470 9.3420 9.3420 11.2056 11.2056 k = 0.5000 0.2624 0.2412 ( 3938 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4515 -36.4515 -36.4515 -36.4515 -36.1639 -36.1639 -36.1639 -36.1639 -36.1631 -36.1631 -36.1630 -36.1630 -14.5011 -14.5011 -14.5001 -14.5001 -13.4826 -13.4826 -13.4618 -13.4618 -13.4580 -13.4580 -0.8319 -0.8319 2.1754 2.1754 5.9427 5.9427 6.2286 6.2286 7.8694 7.8694 9.1848 9.1848 9.2982 9.2982 11.1198 11.1198 k = 0.5000 0.2712 0.2289 ( 3940 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4515 -36.4515 -36.4515 -36.4515 -36.1638 -36.1638 -36.1637 -36.1637 -36.1632 -36.1632 -36.1632 -36.1632 -14.5012 -14.5012 -14.5001 -14.5001 -13.4826 -13.4826 -13.4618 -13.4618 -13.4580 -13.4580 -0.8368 -0.8368 2.1686 2.1686 5.9985 5.9985 6.2697 6.2697 7.7946 7.7946 9.2144 9.2144 9.2685 9.2685 11.0552 11.0552 k = 0.5000 0.2799 0.2165 ( 3930 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4515 -36.4515 -36.4514 -36.4514 -36.1637 -36.1637 -36.1636 -36.1636 -36.1633 -36.1633 -36.1633 -36.1633 -14.5011 -14.5011 -14.5000 -14.5000 -13.4825 -13.4825 -13.4617 -13.4617 -13.4579 -13.4579 -0.8397 -0.8397 2.1646 2.1646 6.0302 6.0302 6.3006 6.3006 7.7448 7.7448 9.2311 9.2311 9.2538 9.2538 11.0148 11.0148 k = 0.5000 0.2887 0.2041 ( 3906 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4515 -36.4515 -36.4514 -36.4514 -36.1636 -36.1636 -36.1635 -36.1635 -36.1633 -36.1633 -36.1633 -36.1633 -14.5008 -14.5008 -14.4998 -14.4998 -13.4823 -13.4823 -13.4615 -13.4615 -13.4577 -13.4577 -0.8406 -0.8406 2.1632 2.1632 6.0403 6.0403 6.3123 6.3123 7.7272 7.7272 9.2338 9.2338 9.2523 9.2523 11.0011 11.0011 k = 0.5000 0.2887 0.2041 ( 3906 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4515 -36.4515 -36.4514 -36.4514 -36.1636 -36.1636 -36.1635 -36.1635 -36.1633 -36.1633 -36.1633 -36.1633 -14.5008 -14.5008 -14.4998 -14.4998 -13.4823 -13.4823 -13.4615 -13.4615 -13.4577 -13.4577 -0.8406 -0.8406 2.1632 2.1632 6.0403 6.0403 6.3123 6.3123 7.7272 7.7272 9.2338 9.2338 9.2523 9.2523 11.0011 11.0011 k = 0.4957 0.2862 0.2182 ( 3928 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4515 -36.4515 -36.4514 -36.4514 -36.1637 -36.1637 -36.1636 -36.1636 -36.1633 -36.1633 -36.1633 -36.1633 -14.5011 -14.5011 -14.5000 -14.5000 -13.4825 -13.4825 -13.4617 -13.4617 -13.4579 -13.4579 -0.8397 -0.8397 2.1645 2.1645 6.0305 6.0305 6.3010 6.3010 7.7443 7.7443 9.2312 9.2312 9.2537 9.2537 11.0144 11.0144 k = 0.4914 0.2837 0.2323 ( 3945 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4515 -36.4515 -36.4515 -36.4515 -36.1638 -36.1638 -36.1637 -36.1637 -36.1632 -36.1632 -36.1632 -36.1632 -14.5012 -14.5012 -14.5001 -14.5001 -13.4826 -13.4826 -13.4618 -13.4618 -13.4581 -13.4581 -0.8369 -0.8369 2.1685 2.1685 5.9997 5.9997 6.2708 6.2708 7.7927 7.7927 9.2154 9.2154 9.2675 9.2675 11.0536 11.0536 k = 0.4871 0.2812 0.2464 ( 3944 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4515 -36.4515 -36.4515 -36.4515 -36.1639 -36.1639 -36.1639 -36.1639 -36.1631 -36.1631 -36.1631 -36.1631 -14.5012 -14.5012 -14.5001 -14.5001 -13.4826 -13.4826 -13.4618 -13.4618 -13.4580 -13.4580 -0.8322 -0.8322 2.1750 2.1750 5.9455 5.9455 6.2307 6.2307 7.8655 7.8655 9.1883 9.1883 9.2947 9.2947 11.1166 11.1166 k = 0.4828 0.2787 0.2604 ( 3942 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4515 -36.4515 -36.4515 -36.4515 -36.1641 -36.1641 -36.1640 -36.1640 -36.1630 -36.1630 -36.1629 -36.1629 -14.5012 -14.5012 -14.5001 -14.5001 -13.4826 -13.4826 -13.4618 -13.4618 -13.4580 -13.4580 -0.8256 -0.8256 2.1842 2.1842 5.8671 5.8671 6.1888 6.1888 7.9537 7.9537 9.1562 9.1562 9.3332 9.3332 11.2002 11.2002 k = 0.4784 0.2762 0.2745 ( 3945 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4515 -36.4515 -36.4515 -36.4515 -36.1642 -36.1642 -36.1641 -36.1641 -36.1629 -36.1629 -36.1628 -36.1628 -14.5012 -14.5012 -14.5001 -14.5001 -13.4826 -13.4826 -13.4618 -13.4618 -13.4580 -13.4580 -0.8172 -0.8172 2.1960 2.1960 5.7678 5.7678 6.1480 6.1480 8.0478 8.0478 9.1259 9.1259 9.3822 9.3822 11.3014 11.3014 k = 0.4741 0.2737 0.2886 ( 3941 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4515 -36.4515 -36.4515 -36.4515 -36.1643 -36.1643 -36.1642 -36.1642 -36.1627 -36.1627 -36.1627 -36.1627 -14.5012 -14.5012 -14.5001 -14.5001 -13.4826 -13.4826 -13.4617 -13.4617 -13.4580 -13.4580 -0.8069 -0.8069 2.2104 2.2104 5.6532 5.6532 6.1082 6.1082 8.1380 8.1380 9.1054 9.1054 9.4412 9.4412 11.4169 11.4169 k = 0.4698 0.2713 0.3027 ( 3945 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4515 -36.4515 -36.4515 -36.4515 -36.1644 -36.1644 -36.1644 -36.1644 -36.1626 -36.1626 -36.1625 -36.1625 -14.5012 -14.5012 -14.5001 -14.5001 -13.4826 -13.4826 -13.4617 -13.4617 -13.4581 -13.4581 -0.7950 -0.7950 2.2274 2.2274 5.5283 5.5283 6.0682 6.0682 8.2131 8.2131 9.1049 9.1049 9.5093 9.5093 11.5436 11.5436 k = 0.4655 0.2688 0.3167 ( 3951 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4515 -36.4515 -36.4515 -36.4515 -36.1646 -36.1646 -36.1645 -36.1645 -36.1625 -36.1625 -36.1624 -36.1624 -14.5012 -14.5012 -14.5001 -14.5001 -13.4826 -13.4826 -13.4617 -13.4617 -13.4582 -13.4582 -0.7813 -0.7813 2.2469 2.2469 5.3967 5.3967 6.0274 6.0274 8.2630 8.2630 9.1338 9.1338 9.5862 9.5862 11.6781 11.6781 k = 0.4612 0.2663 0.3308 ( 3953 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4515 -36.4515 -36.4515 -36.4515 -36.1647 -36.1647 -36.1646 -36.1646 -36.1624 -36.1624 -36.1623 -36.1623 -14.5012 -14.5012 -14.5001 -14.5001 -13.4826 -13.4826 -13.4617 -13.4617 -13.4582 -13.4582 -0.7659 -0.7659 2.2689 2.2689 5.2612 5.2612 5.9854 5.9854 8.2822 8.2822 9.1976 9.1976 9.6713 9.6713 11.8159 11.8159 k = 0.4569 0.2638 0.3449 ( 3953 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4515 -36.4515 -36.4515 -36.4515 -36.1648 -36.1648 -36.1648 -36.1648 -36.1622 -36.1622 -36.1622 -36.1622 -14.5012 -14.5012 -14.5001 -14.5001 -13.4825 -13.4825 -13.4616 -13.4616 -13.4582 -13.4582 -0.7490 -0.7490 2.2935 2.2935 5.1235 5.1235 5.9423 5.9423 8.2732 8.2732 9.2935 9.2935 9.7640 9.7640 11.9482 11.9482 k = 0.4526 0.2613 0.3590 ( 3951 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4515 -36.4515 -36.4515 -36.4515 -36.1650 -36.1650 -36.1649 -36.1649 -36.1621 -36.1621 -36.1620 -36.1620 -14.5012 -14.5012 -14.5001 -14.5001 -13.4825 -13.4825 -13.4616 -13.4616 -13.4582 -13.4582 -0.7306 -0.7306 2.3204 2.3204 4.9850 4.9850 5.8984 5.8984 8.2432 8.2432 9.4143 9.4143 9.8638 9.8638 12.0523 12.0523 k = 0.4483 0.2588 0.3731 ( 3951 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4516 -36.4516 -36.4515 -36.4515 -36.1651 -36.1651 -36.1650 -36.1650 -36.1620 -36.1620 -36.1619 -36.1619 -14.5011 -14.5011 -14.5001 -14.5001 -13.4824 -13.4824 -13.4615 -13.4615 -13.4583 -13.4583 -0.7108 -0.7108 2.3498 2.3498 4.8468 4.8468 5.8537 5.8537 8.1996 8.1996 9.5526 9.5526 9.9703 9.9703 12.0779 12.0779 k = 0.4440 0.2563 0.3871 ( 3953 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4516 -36.4516 -36.4515 -36.4515 -36.1652 -36.1652 -36.1651 -36.1651 -36.1619 -36.1619 -36.1618 -36.1618 -14.5011 -14.5011 -14.5001 -14.5001 -13.4824 -13.4824 -13.4615 -13.4615 -13.4583 -13.4583 -0.6897 -0.6897 2.3814 2.3814 4.7096 4.7096 5.8087 5.8087 8.1478 8.1478 9.7028 9.7028 10.0829 10.0829 12.0023 12.0023 k = 0.4397 0.2538 0.4012 ( 3957 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4516 -36.4516 -36.4515 -36.4515 -36.1653 -36.1653 -36.1652 -36.1652 -36.1618 -36.1618 -36.1617 -36.1617 -14.5011 -14.5011 -14.5001 -14.5001 -13.4824 -13.4824 -13.4614 -13.4614 -13.4584 -13.4584 -0.6674 -0.6674 2.4153 2.4153 4.5741 4.5741 5.7636 5.7636 8.0916 8.0916 9.8609 9.8609 10.2015 10.2015 11.8740 11.8740 k = 0.4353 0.2513 0.4153 ( 3949 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4516 -36.4516 -36.4514 -36.4514 -36.1654 -36.1654 -36.1652 -36.1652 -36.1617 -36.1617 -36.1615 -36.1615 -14.5011 -14.5011 -14.5000 -14.5000 -13.4823 -13.4823 -13.4613 -13.4613 -13.4584 -13.4584 -0.6441 -0.6441 2.4513 2.4513 4.4410 4.4410 5.7188 5.7188 8.0333 8.0333 10.0245 10.0245 10.3257 10.3257 11.7277 11.7277 k = 0.4310 0.2489 0.4294 ( 3950 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4516 -36.4516 -36.4514 -36.4514 -36.1655 -36.1655 -36.1653 -36.1653 -36.1616 -36.1616 -36.1614 -36.1614 -14.5010 -14.5010 -14.5000 -14.5000 -13.4822 -13.4822 -13.4612 -13.4612 -13.4585 -13.4585 -0.6200 -0.6200 2.4893 2.4893 4.3110 4.3110 5.6744 5.6744 7.9745 7.9745 10.1913 10.1913 10.4551 10.4551 11.5760 11.5760 k = 0.4267 0.2464 0.4434 ( 3954 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4517 -36.4517 -36.4514 -36.4514 -36.1657 -36.1657 -36.1654 -36.1654 -36.1616 -36.1616 -36.1613 -36.1613 -14.5010 -14.5010 -14.5000 -14.5000 -13.4822 -13.4822 -13.4611 -13.4611 -13.4585 -13.4585 -0.5952 -0.5952 2.5290 2.5290 4.1845 4.1845 5.6307 5.6307 7.9162 7.9162 10.3590 10.3590 10.5897 10.5897 11.4246 11.4246 k = 0.4224 0.2439 0.4575 ( 3956 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4517 -36.4517 -36.4514 -36.4514 -36.1658 -36.1658 -36.1655 -36.1655 -36.1615 -36.1615 -36.1612 -36.1612 -14.5010 -14.5010 -14.5000 -14.5000 -13.4822 -13.4822 -13.4611 -13.4611 -13.4586 -13.4586 -0.5699 -0.5699 2.5702 2.5702 4.0624 4.0624 5.5880 5.5880 7.8593 7.8593 10.5240 10.5240 10.7290 10.7290 11.2787 11.2787 k = 0.4181 0.2414 0.4716 ( 3955 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4517 -36.4517 -36.4514 -36.4514 -36.1659 -36.1659 -36.1656 -36.1656 -36.1614 -36.1614 -36.1611 -36.1611 -14.5010 -14.5010 -14.5000 -14.5000 -13.4821 -13.4821 -13.4610 -13.4610 -13.4587 -13.4587 -0.5444 -0.5444 2.6126 2.6126 3.9452 3.9452 5.5464 5.5464 7.8041 7.8041 10.6750 10.6750 10.8721 10.8721 11.1508 11.1508 k = 0.4138 0.2389 0.4857 ( 3952 PWs) bands (ev): -69.5112 -69.5112 -69.5112 -69.5112 -36.4517 -36.4517 -36.4513 -36.4513 -36.1660 -36.1660 -36.1656 -36.1656 -36.1614 -36.1614 -36.1610 -36.1610 -14.5009 -14.5009 -14.4999 -14.4999 -13.4821 -13.4821 -13.4609 -13.4609 -13.4587 -13.4587 -0.5189 -0.5189 2.6556 2.6556 3.8341 3.8341 5.5062 5.5062 7.7511 7.7511 10.7634 10.7634 11.0098 11.0098 11.0984 11.0984 k = 0.4095 0.2364 0.4998 ( 3954 PWs) bands (ev): -69.5112 -69.5112 -69.5111 -69.5111 -36.4518 -36.4518 -36.4513 -36.4513 -36.1661 -36.1661 -36.1657 -36.1657 -36.1613 -36.1613 -36.1609 -36.1609 -14.5009 -14.5009 -14.4999 -14.4999 -13.4821 -13.4821 -13.4608 -13.4608 -13.4587 -13.4587 -0.4937 -0.4937 2.6984 2.6984 3.7301 3.7301 5.4674 5.4674 7.7005 7.7005 10.7110 10.7110 11.1335 11.1335 11.2083 11.2083 k = 0.4052 0.2339 0.5138 ( 3954 PWs) bands (ev): -69.5112 -69.5112 -69.5111 -69.5111 -36.4518 -36.4518 -36.4513 -36.4513 -36.1662 -36.1662 -36.1657 -36.1657 -36.1613 -36.1613 -36.1608 -36.1608 -14.5009 -14.5009 -14.4999 -14.4999 -13.4820 -13.4820 -13.4607 -13.4607 -13.4588 -13.4588 -0.4692 -0.4692 2.7397 2.7397 3.6348 3.6348 5.4302 5.4302 7.6526 7.6526 10.5897 10.5897 11.2815 11.2815 11.3699 11.3699 k = 0.4009 0.2314 0.5279 ( 3956 PWs) bands (ev): -69.5112 -69.5112 -69.5111 -69.5111 -36.4518 -36.4518 -36.4513 -36.4513 -36.1663 -36.1663 -36.1657 -36.1657 -36.1613 -36.1613 -36.1607 -36.1607 -14.5009 -14.5009 -14.4999 -14.4999 -13.4821 -13.4821 -13.4606 -13.4606 -13.4588 -13.4588 -0.4457 -0.4457 2.7779 2.7779 3.5505 3.5505 5.3948 5.3948 7.6075 7.6075 10.4534 10.4534 11.4398 11.4398 11.5429 11.5429 k = 0.3966 0.2289 0.5420 ( 3952 PWs) bands (ev): -69.5112 -69.5112 -69.5111 -69.5111 -36.4519 -36.4519 -36.4512 -36.4512 -36.1664 -36.1664 -36.1658 -36.1658 -36.1612 -36.1612 -36.1606 -36.1606 -14.5009 -14.5009 -14.4998 -14.4998 -13.4820 -13.4820 -13.4605 -13.4605 -13.4588 -13.4588 -0.4236 -0.4236 2.8100 2.8100 3.4804 3.4804 5.3612 5.3612 7.5653 7.5653 10.3141 10.3141 11.6013 11.6013 11.7216 11.7216 k = 0.3922 0.2265 0.5561 ( 3954 PWs) bands (ev): -69.5112 -69.5112 -69.5111 -69.5111 -36.4519 -36.4519 -36.4512 -36.4512 -36.1665 -36.1665 -36.1658 -36.1658 -36.1612 -36.1612 -36.1605 -36.1605 -14.5009 -14.5009 -14.4998 -14.4998 -13.4820 -13.4820 -13.4605 -13.4605 -13.4589 -13.4589 -0.4033 -0.4033 2.8326 2.8326 3.4285 3.4285 5.3296 5.3296 7.5262 7.5262 10.1751 10.1751 11.7643 11.7643 11.9030 11.9030 k = 0.3879 0.2240 0.5701 ( 3955 PWs) bands (ev): -69.5112 -69.5112 -69.5111 -69.5111 -36.4519 -36.4519 -36.4512 -36.4512 -36.1666 -36.1666 -36.1658 -36.1658 -36.1612 -36.1612 -36.1604 -36.1604 -14.5009 -14.5009 -14.4998 -14.4998 -13.4820 -13.4820 -13.4604 -13.4604 -13.4589 -13.4589 -0.3852 -0.3852 2.8418 2.8418 3.3991 3.3991 5.3000 5.3000 7.4901 7.4901 10.0377 10.0377 11.9279 11.9279 12.0841 12.0841 k = 0.3836 0.2215 0.5842 ( 3957 PWs) bands (ev): -69.5112 -69.5112 -69.5111 -69.5111 -36.4520 -36.4520 -36.4512 -36.4512 -36.1667 -36.1667 -36.1658 -36.1658 -36.1612 -36.1612 -36.1603 -36.1603 -14.5009 -14.5009 -14.4998 -14.4998 -13.4820 -13.4820 -13.4604 -13.4604 -13.4589 -13.4589 -0.3699 -0.3699 2.8361 2.8361 3.3940 3.3940 5.2725 5.2725 7.4573 7.4573 9.9024 9.9024 12.0900 12.0900 12.2586 12.2586 k = 0.3793 0.2190 0.5983 ( 3943 PWs) bands (ev): -69.5112 -69.5112 -69.5111 -69.5111 -36.4520 -36.4520 -36.4511 -36.4511 -36.1667 -36.1667 -36.1658 -36.1658 -36.1612 -36.1612 -36.1602 -36.1602 -14.5008 -14.5008 -14.4996 -14.4996 -13.4819 -13.4819 -13.4602 -13.4602 -13.4588 -13.4588 -0.3577 -0.3577 2.8179 2.8179 3.4116 3.4116 5.2473 5.2473 7.4277 7.4277 9.7697 9.7697 12.2437 12.2437 12.4041 12.4041 k = 0.3750 0.2165 0.6124 ( 3953 PWs) bands (ev): -69.5113 -69.5113 -69.5111 -69.5111 -36.4521 -36.4521 -36.4511 -36.4511 -36.1668 -36.1668 -36.1658 -36.1658 -36.1612 -36.1612 -36.1602 -36.1602 -14.5009 -14.5009 -14.4997 -14.4997 -13.4820 -13.4820 -13.4603 -13.4603 -13.4589 -13.4589 -0.3491 -0.3491 2.7921 2.7921 3.4470 3.4470 5.2242 5.2242 7.4014 7.4014 9.6398 9.6398 12.3586 12.3586 12.4871 12.4871 k = 0.6250-0.0722 0.4082 ( 3953 PWs) bands (ev): -69.5113 -69.5113 -69.5111 -69.5111 -36.4521 -36.4521 -36.4511 -36.4511 -36.1668 -36.1668 -36.1658 -36.1658 -36.1612 -36.1612 -36.1602 -36.1602 -14.5009 -14.5009 -14.4997 -14.4997 -13.4820 -13.4820 -13.4603 -13.4603 -13.4589 -13.4589 -0.3491 -0.3491 2.7921 2.7921 3.4470 3.4470 5.2242 5.2242 7.4014 7.4014 9.6398 9.6398 12.3586 12.3586 12.4871 12.4871 k = 0.6176-0.0849 0.4082 ( 3949 PWs) bands (ev): -69.5113 -69.5113 -69.5111 -69.5111 -36.4521 -36.4521 -36.4510 -36.4510 -36.1669 -36.1669 -36.1658 -36.1658 -36.1612 -36.1612 -36.1600 -36.1600 -14.5009 -14.5009 -14.4997 -14.4997 -13.4819 -13.4819 -13.4602 -13.4602 -13.4589 -13.4589 -0.3389 -0.3389 2.7460 2.7460 3.5233 3.5233 5.1879 5.1879 7.3604 7.3604 9.4224 9.4224 12.4842 12.4842 12.6080 12.6080 k = 0.6103-0.0976 0.4082 ( 3955 PWs) bands (ev): -69.5113 -69.5113 -69.5111 -69.5111 -36.4522 -36.4522 -36.4509 -36.4509 -36.1671 -36.1671 -36.1657 -36.1657 -36.1612 -36.1612 -36.1599 -36.1599 -14.5010 -14.5010 -14.4996 -14.4996 -13.4820 -13.4820 -13.4601 -13.4601 -13.4590 -13.4590 -0.3310 -0.3310 2.7025 2.7025 3.6059 3.6059 5.1536 5.1536 7.3216 7.3216 9.2086 9.2086 12.6120 12.6120 12.7302 12.7302 k = 0.6029-0.1104 0.4082 ( 3949 PWs) bands (ev): -69.5113 -69.5113 -69.5111 -69.5111 -36.4523 -36.4523 -36.4508 -36.4508 -36.1672 -36.1672 -36.1657 -36.1657 -36.1613 -36.1613 -36.1598 -36.1598 -14.5010 -14.5010 -14.4995 -14.4995 -13.4820 -13.4820 -13.4600 -13.4600 -13.4590 -13.4590 -0.3249 -0.3249 2.6616 2.6616 3.6943 3.6943 5.1215 5.1215 7.2849 7.2849 8.9988 8.9988 12.7421 12.7421 12.8534 12.8534 k = 0.5956-0.1231 0.4082 ( 3947 PWs) bands (ev): -69.5113 -69.5113 -69.5110 -69.5110 -36.4523 -36.4523 -36.4508 -36.4508 -36.1673 -36.1673 -36.1657 -36.1657 -36.1613 -36.1613 -36.1597 -36.1597 -14.5010 -14.5010 -14.4995 -14.4995 -13.4820 -13.4820 -13.4599 -13.4599 -13.4590 -13.4590 -0.3204 -0.3204 2.6233 2.6233 3.7878 3.7878 5.0915 5.0915 7.2504 7.2504 8.7936 8.7936 12.8744 12.8744 12.9772 12.9772 k = 0.5882-0.1358 0.4082 ( 3953 PWs) bands (ev): -69.5113 -69.5113 -69.5110 -69.5110 -36.4524 -36.4524 -36.4507 -36.4507 -36.1674 -36.1674 -36.1657 -36.1657 -36.1613 -36.1613 -36.1596 -36.1596 -14.5011 -14.5011 -14.4995 -14.4995 -13.4821 -13.4821 -13.4600 -13.4600 -13.4590 -13.4590 -0.3174 -0.3174 2.5878 2.5878 3.8856 3.8856 5.0638 5.0638 7.2181 7.2181 8.5935 8.5935 13.0087 13.0087 13.1010 13.1010 k = 0.5809-0.1486 0.4082 ( 3953 PWs) bands (ev): -69.5113 -69.5113 -69.5110 -69.5110 -36.4525 -36.4525 -36.4507 -36.4507 -36.1675 -36.1675 -36.1657 -36.1657 -36.1613 -36.1613 -36.1595 -36.1595 -14.5011 -14.5011 -14.4995 -14.4995 -13.4821 -13.4821 -13.4600 -13.4600 -13.4590 -13.4590 -0.3155 -0.3155 2.5550 2.5550 3.9871 3.9871 5.0384 5.0384 7.1877 7.1877 8.3991 8.3991 13.1451 13.1451 13.2243 13.2243 k = 0.5735-0.1613 0.4082 ( 3957 PWs) bands (ev): -69.5113 -69.5113 -69.5110 -69.5110 -36.4525 -36.4525 -36.4507 -36.4507 -36.1676 -36.1676 -36.1657 -36.1657 -36.1613 -36.1613 -36.1594 -36.1594 -14.5012 -14.5012 -14.4995 -14.4995 -13.4821 -13.4821 -13.4600 -13.4600 -13.4591 -13.4591 -0.3146 -0.3146 2.5250 2.5250 4.0911 4.0911 5.0155 5.0155 7.1592 7.1592 8.2113 8.2113 13.2833 13.2833 13.3463 13.3463 k = 0.5662-0.1741 0.4082 ( 3957 PWs) bands (ev): -69.5114 -69.5114 -69.5110 -69.5110 -36.4526 -36.4526 -36.4506 -36.4506 -36.1677 -36.1677 -36.1656 -36.1656 -36.1613 -36.1613 -36.1593 -36.1593 -14.5012 -14.5012 -14.4994 -14.4994 -13.4821 -13.4821 -13.4600 -13.4600 -13.4590 -13.4590 -0.3144 -0.3144 2.4978 2.4978 4.1966 4.1966 4.9951 4.9951 7.1323 7.1323 8.0312 8.0312 13.4232 13.4232 13.4661 13.4661 k = 0.5588-0.1868 0.4082 ( 3961 PWs) bands (ev): -69.5114 -69.5114 -69.5110 -69.5110 -36.4526 -36.4526 -36.4506 -36.4506 -36.1677 -36.1677 -36.1656 -36.1656 -36.1614 -36.1614 -36.1592 -36.1592 -14.5013 -14.5013 -14.4994 -14.4994 -13.4821 -13.4821 -13.4600 -13.4600 -13.4591 -13.4591 -0.3147 -0.3147 2.4734 2.4734 4.3020 4.3020 4.9774 4.9774 7.1067 7.1067 7.8603 7.8603 13.5645 13.5645 13.5825 13.5825 k = 0.5515-0.1995 0.4082 ( 3961 PWs) bands (ev): -69.5114 -69.5114 -69.5110 -69.5110 -36.4527 -36.4527 -36.4505 -36.4505 -36.1678 -36.1678 -36.1656 -36.1656 -36.1614 -36.1614 -36.1592 -36.1592 -14.5013 -14.5013 -14.4994 -14.4994 -13.4822 -13.4822 -13.4600 -13.4600 -13.4591 -13.4591 -0.3154 -0.3154 2.4519 2.4519 4.4056 4.4056 4.9629 4.9629 7.0816 7.0816 7.7007 7.7007 13.6936 13.6936 13.7073 13.7073 k = 0.5441-0.2123 0.4082 ( 3957 PWs) bands (ev): -69.5114 -69.5114 -69.5110 -69.5110 -36.4527 -36.4527 -36.4505 -36.4505 -36.1679 -36.1679 -36.1656 -36.1656 -36.1614 -36.1614 -36.1591 -36.1591 -14.5013 -14.5013 -14.4993 -14.4993 -13.4822 -13.4822 -13.4600 -13.4600 -13.4590 -13.4590 -0.3163 -0.3163 2.4332 2.4332 4.5048 4.5048 4.9520 4.9520 7.0560 7.0560 7.5555 7.5555 13.7986 13.7986 13.8500 13.8500 k = 0.5368-0.2250 0.4082 ( 3963 PWs) bands (ev): -69.5114 -69.5114 -69.5110 -69.5110 -36.4527 -36.4527 -36.4505 -36.4505 -36.1679 -36.1679 -36.1656 -36.1656 -36.1614 -36.1614 -36.1591 -36.1591 -14.5014 -14.5014 -14.4994 -14.4994 -13.4822 -13.4822 -13.4600 -13.4600 -13.4591 -13.4591 -0.3173 -0.3173 2.4174 2.4174 4.5961 4.5961 4.9456 4.9456 7.0281 7.0281 7.4288 7.4288 13.8946 13.8946 13.9921 13.9921 k = 0.5294-0.2377 0.4082 ( 3955 PWs) bands (ev): -69.5114 -69.5114 -69.5110 -69.5110 -36.4527 -36.4527 -36.4504 -36.4504 -36.1679 -36.1679 -36.1656 -36.1656 -36.1614 -36.1614 -36.1590 -36.1590 -14.5013 -14.5013 -14.4993 -14.4993 -13.4821 -13.4821 -13.4600 -13.4600 -13.4590 -13.4590 -0.3183 -0.3183 2.4044 2.4044 4.6749 4.6749 4.9453 4.9453 6.9956 6.9956 7.3258 7.3258 13.9792 13.9792 14.1319 14.1319 k = 0.5221-0.2505 0.4082 ( 3957 PWs) bands (ev): -69.5114 -69.5114 -69.5110 -69.5110 -36.4527 -36.4527 -36.4504 -36.4504 -36.1680 -36.1680 -36.1656 -36.1656 -36.1614 -36.1614 -36.1590 -36.1590 -14.5013 -14.5013 -14.4993 -14.4993 -13.4822 -13.4822 -13.4600 -13.4600 -13.4590 -13.4590 -0.3191 -0.3191 2.3944 2.3944 4.7357 4.7357 4.9526 4.9526 6.9583 6.9583 7.2508 7.2508 14.0494 14.0494 14.2660 14.2660 k = 0.5147-0.2632 0.4082 ( 3965 PWs) bands (ev): -69.5114 -69.5114 -69.5110 -69.5110 -36.4528 -36.4528 -36.4504 -36.4504 -36.1680 -36.1680 -36.1656 -36.1656 -36.1614 -36.1614 -36.1590 -36.1590 -14.5014 -14.5014 -14.4994 -14.4994 -13.4822 -13.4822 -13.4601 -13.4601 -13.4591 -13.4591 -0.3197 -0.3197 2.3871 2.3871 4.7749 4.7749 4.9667 4.9667 6.9207 6.9207 7.2035 7.2035 14.1024 14.1024 14.3646 14.3646 k = 0.5074-0.2759 0.4082 ( 3969 PWs) bands (ev): -69.5114 -69.5114 -69.5110 -69.5110 -36.4528 -36.4528 -36.4504 -36.4504 -36.1680 -36.1680 -36.1656 -36.1656 -36.1614 -36.1614 -36.1590 -36.1590 -14.5015 -14.5015 -14.4994 -14.4994 -13.4823 -13.4823 -13.4601 -13.4601 -13.4591 -13.4591 -0.3202 -0.3202 2.3828 2.3828 4.7948 4.7948 4.9810 4.9810 6.8925 6.8925 7.1786 7.1786 14.1355 14.1355 14.4021 14.4021 k = 0.5000-0.2887 0.4082 ( 3984 PWs) bands (ev): -69.5114 -69.5114 -69.5110 -69.5110 -36.4528 -36.4528 -36.4504 -36.4504 -36.1681 -36.1681 -36.1656 -36.1656 -36.1615 -36.1615 -36.1590 -36.1590 -14.5016 -14.5016 -14.4995 -14.4995 -13.4824 -13.4824 -13.4602 -13.4602 -13.4593 -13.4593 -0.3203 -0.3203 2.3814 2.3814 4.8006 4.8006 4.9870 4.9870 6.8820 6.8820 7.1709 7.1709 14.1467 14.1467 14.4149 14.4149 Writing output data file Mg2Sn.save init_run : 0.19s CPU 0.35s WALL ( 1 calls) electrons : 81.17s CPU 82.52s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.02s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 81.16s CPU 82.51s 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 : 0.01s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 314 calls) cegterg : 73.54s CPU 74.52s WALL ( 326 calls) Called by sum_band: Called by *egterg: h_psi : 45.72s CPU 46.45s WALL ( 4939 calls) s_psi : 0.90s CPU 0.91s WALL ( 4939 calls) g_psi : 0.10s CPU 0.11s WALL ( 4299 calls) cdiaghg : 26.97s CPU 27.40s WALL ( 4613 calls) cegterg:over : 2.25s CPU 2.33s WALL ( 4299 calls) cegterg:upda : 2.20s CPU 2.15s WALL ( 4299 calls) cegterg:last : 0.84s CPU 0.86s WALL ( 640 calls) cdiaghg:chol : 1.49s CPU 1.48s WALL ( 4613 calls) cdiaghg:inve : 0.85s CPU 0.90s WALL ( 4613 calls) cdiaghg:para : 1.49s CPU 1.56s WALL ( 9226 calls) Called by h_psi: h_psi:vloc : 43.23s CPU 43.93s WALL ( 4939 calls) h_psi:vnl : 2.38s CPU 2.42s WALL ( 4939 calls) add_vuspsi : 1.20s CPU 1.18s WALL ( 4939 calls) General routines calbec : 1.17s CPU 1.23s WALL ( 4939 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 40.56s CPU 41.14s WALL ( 404944 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.17s WALL ( 628 calls) Parallel routines fft_scatter : 12.51s CPU 12.69s WALL ( 404967 calls) PWSCF : 1m33.39s CPU 1m46.11s WALL This run was terminated on: 20:44:17 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=