Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:53:14 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: ./Li2CdSn.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D 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 97 62 17 3823 1972 288 Max 98 63 18 3826 1996 290 Sum 3505 2263 637 137675 71297 10417 bravais-lattice index = 14 lattice parameter (alat) = 8.9394 a.u. unit-cell volume = 505.1436 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.939433 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 Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 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 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. # 3 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 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 Cd 12.00 112.41100 Cd( 1.00) Sn 14.00 118.71000 Sn( 1.00) Li 3.00 6.94100 Li( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 315 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 2) = ( 0.0106383 -0.0061420 0.0086861), wk = 0.0031746 k( 3) = ( 0.0212766 -0.0122841 0.0173723), wk = 0.0031746 k( 4) = ( 0.0319149 -0.0184261 0.0260584), wk = 0.0031746 k( 5) = ( 0.0425532 -0.0245681 0.0347445), wk = 0.0031746 k( 6) = ( 0.0531915 -0.0307101 0.0434307), wk = 0.0031746 k( 7) = ( 0.0638298 -0.0368521 0.0521168), wk = 0.0031746 k( 8) = ( 0.0744681 -0.0429942 0.0608029), wk = 0.0031746 k( 9) = ( 0.0851064 -0.0491362 0.0694891), wk = 0.0031746 k( 10) = ( 0.0957447 -0.0552782 0.0781752), wk = 0.0031746 k( 11) = ( 0.1063830 -0.0614202 0.0868613), wk = 0.0031746 k( 12) = ( 0.1170213 -0.0675623 0.0955475), wk = 0.0031746 k( 13) = ( 0.1276596 -0.0737043 0.1042336), wk = 0.0031746 k( 14) = ( 0.1382979 -0.0798463 0.1129197), wk = 0.0031746 k( 15) = ( 0.1489362 -0.0859883 0.1216059), wk = 0.0031746 k( 16) = ( 0.1595745 -0.0921304 0.1302920), wk = 0.0031746 k( 17) = ( 0.1702128 -0.0982724 0.1389781), wk = 0.0031746 k( 18) = ( 0.1808511 -0.1044144 0.1476643), wk = 0.0031746 k( 19) = ( 0.1914894 -0.1105564 0.1563504), wk = 0.0031746 k( 20) = ( 0.2021277 -0.1166985 0.1650365), wk = 0.0031746 k( 21) = ( 0.2127660 -0.1228405 0.1737227), wk = 0.0031746 k( 22) = ( 0.2234043 -0.1289825 0.1824088), wk = 0.0031746 k( 23) = ( 0.2340425 -0.1351245 0.1910949), wk = 0.0031746 k( 24) = ( 0.2446809 -0.1412666 0.1997811), wk = 0.0031746 k( 25) = ( 0.2553191 -0.1474086 0.2084672), wk = 0.0031746 k( 26) = ( 0.2659574 -0.1535506 0.2171533), wk = 0.0031746 k( 27) = ( 0.2765957 -0.1596926 0.2258395), wk = 0.0031746 k( 28) = ( 0.2872340 -0.1658347 0.2345256), wk = 0.0031746 k( 29) = ( 0.2978723 -0.1719767 0.2432117), wk = 0.0031746 k( 30) = ( 0.3085106 -0.1781187 0.2518979), wk = 0.0031746 k( 31) = ( 0.3191489 -0.1842607 0.2605840), wk = 0.0031746 k( 32) = ( 0.3297872 -0.1904027 0.2692701), wk = 0.0031746 k( 33) = ( 0.3404255 -0.1965448 0.2779563), wk = 0.0031746 k( 34) = ( 0.3510638 -0.2026868 0.2866424), wk = 0.0031746 k( 35) = ( 0.3617021 -0.2088288 0.2953286), wk = 0.0031746 k( 36) = ( 0.3723404 -0.2149708 0.3040147), wk = 0.0031746 k( 37) = ( 0.3829787 -0.2211129 0.3127008), wk = 0.0031746 k( 38) = ( 0.3936170 -0.2272549 0.3213870), wk = 0.0031746 k( 39) = ( 0.4042553 -0.2333969 0.3300731), wk = 0.0031746 k( 40) = ( 0.4148936 -0.2395389 0.3387592), wk = 0.0031746 k( 41) = ( 0.4255319 -0.2456810 0.3474453), wk = 0.0031746 k( 42) = ( 0.4361702 -0.2518230 0.3561315), wk = 0.0031746 k( 43) = ( 0.4468085 -0.2579650 0.3648176), wk = 0.0031746 k( 44) = ( 0.4574468 -0.2641070 0.3735038), wk = 0.0031746 k( 45) = ( 0.4680851 -0.2702491 0.3821899), wk = 0.0031746 k( 46) = ( 0.4787234 -0.2763911 0.3908760), wk = 0.0031746 k( 47) = ( 0.4893617 -0.2825331 0.3995622), wk = 0.0031746 k( 48) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031746 k( 49) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031746 k( 50) = ( 0.5000000 -0.2766470 0.4167535), wk = 0.0031746 k( 51) = ( 0.5000000 -0.2646189 0.4252586), wk = 0.0031746 k( 52) = ( 0.5000000 -0.2525907 0.4337638), wk = 0.0031746 k( 53) = ( 0.5000000 -0.2405626 0.4422690), wk = 0.0031746 k( 54) = ( 0.5000000 -0.2285345 0.4507742), wk = 0.0031746 k( 55) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0031746 k( 56) = ( 0.5000000 -0.2044782 0.4677845), wk = 0.0031746 k( 57) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0031746 k( 58) = ( 0.5000000 -0.1804220 0.4847948), wk = 0.0031746 k( 59) = ( 0.5000000 -0.1683938 0.4933000), wk = 0.0031746 k( 60) = ( 0.5000000 -0.1563657 0.5018052), wk = 0.0031746 k( 61) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0031746 k( 62) = ( 0.5000000 -0.1323094 0.5188155), wk = 0.0031746 k( 63) = ( 0.5000000 -0.1202813 0.5273207), wk = 0.0031746 k( 64) = ( 0.5000000 -0.1082532 0.5358259), wk = 0.0031746 k( 65) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0031746 k( 66) = ( 0.5000000 -0.0841969 0.5528362), wk = 0.0031746 k( 67) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0031746 k( 68) = ( 0.5000000 -0.0601406 0.5698466), wk = 0.0031746 k( 69) = ( 0.5000000 -0.0481125 0.5783517), wk = 0.0031746 k( 70) = ( 0.5000000 -0.0360844 0.5868569), wk = 0.0031746 k( 71) = ( 0.5000000 -0.0240563 0.5953621), wk = 0.0031746 k( 72) = ( 0.5000000 -0.0120281 0.6038673), wk = 0.0031746 k( 73) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0031746 k( 74) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0031746 k( 75) = ( 0.4926471 0.0127357 0.6123724), wk = 0.0031746 k( 76) = ( 0.4852941 0.0254713 0.6123724), wk = 0.0031746 k( 77) = ( 0.4779412 0.0382070 0.6123724), wk = 0.0031746 k( 78) = ( 0.4705882 0.0509427 0.6123724), wk = 0.0031746 k( 79) = ( 0.4632353 0.0636783 0.6123724), wk = 0.0031746 k( 80) = ( 0.4558823 0.0764140 0.6123724), wk = 0.0031746 k( 81) = ( 0.4485294 0.0891497 0.6123724), wk = 0.0031746 k( 82) = ( 0.4411765 0.1018853 0.6123724), wk = 0.0031746 k( 83) = ( 0.4338235 0.1146210 0.6123724), wk = 0.0031746 k( 84) = ( 0.4264706 0.1273567 0.6123724), wk = 0.0031746 k( 85) = ( 0.4191177 0.1400923 0.6123724), wk = 0.0031746 k( 86) = ( 0.4117647 0.1528280 0.6123724), wk = 0.0031746 k( 87) = ( 0.4044118 0.1655637 0.6123724), wk = 0.0031746 k( 88) = ( 0.3970588 0.1782994 0.6123724), wk = 0.0031746 k( 89) = ( 0.3897059 0.1910350 0.6123724), wk = 0.0031746 k( 90) = ( 0.3823529 0.2037707 0.6123724), wk = 0.0031746 k( 91) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031746 k( 92) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031746 k( 93) = ( 0.3675000 0.2121762 0.6001250), wk = 0.0031746 k( 94) = ( 0.3600000 0.2078461 0.5878775), wk = 0.0031746 k( 95) = ( 0.3525000 0.2035160 0.5756301), wk = 0.0031746 k( 96) = ( 0.3450000 0.1991858 0.5633826), wk = 0.0031746 k( 97) = ( 0.3375000 0.1948557 0.5511352), wk = 0.0031746 k( 98) = ( 0.3300000 0.1905256 0.5388877), wk = 0.0031746 k( 99) = ( 0.3225000 0.1861955 0.5266403), wk = 0.0031746 k( 100) = ( 0.3150000 0.1818653 0.5143928), wk = 0.0031746 k( 101) = ( 0.3075000 0.1775352 0.5021454), wk = 0.0031746 k( 102) = ( 0.3000000 0.1732051 0.4898979), wk = 0.0031746 k( 103) = ( 0.2925000 0.1688750 0.4776505), wk = 0.0031746 k( 104) = ( 0.2850000 0.1645448 0.4654031), wk = 0.0031746 k( 105) = ( 0.2775000 0.1602147 0.4531556), wk = 0.0031746 k( 106) = ( 0.2700000 0.1558846 0.4409082), wk = 0.0031746 k( 107) = ( 0.2625000 0.1515544 0.4286607), wk = 0.0031746 k( 108) = ( 0.2550000 0.1472243 0.4164133), wk = 0.0031746 k( 109) = ( 0.2475000 0.1428942 0.4041658), wk = 0.0031746 k( 110) = ( 0.2400000 0.1385641 0.3919184), wk = 0.0031746 k( 111) = ( 0.2325000 0.1342339 0.3796709), wk = 0.0031746 k( 112) = ( 0.2250000 0.1299038 0.3674235), wk = 0.0031746 k( 113) = ( 0.2175000 0.1255737 0.3551760), wk = 0.0031746 k( 114) = ( 0.2100000 0.1212436 0.3429286), wk = 0.0031746 k( 115) = ( 0.2025000 0.1169134 0.3306811), wk = 0.0031746 k( 116) = ( 0.1950000 0.1125833 0.3184337), wk = 0.0031746 k( 117) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0031746 k( 118) = ( 0.1800000 0.1039230 0.2939388), wk = 0.0031746 k( 119) = ( 0.1725000 0.0995929 0.2816913), wk = 0.0031746 k( 120) = ( 0.1650000 0.0952628 0.2694439), wk = 0.0031746 k( 121) = ( 0.1575000 0.0909327 0.2571964), wk = 0.0031746 k( 122) = ( 0.1500000 0.0866025 0.2449490), wk = 0.0031746 k( 123) = ( 0.1425000 0.0822724 0.2327015), wk = 0.0031746 k( 124) = ( 0.1350000 0.0779423 0.2204541), wk = 0.0031746 k( 125) = ( 0.1275000 0.0736122 0.2082066), wk = 0.0031746 k( 126) = ( 0.1200000 0.0692820 0.1959592), wk = 0.0031746 k( 127) = ( 0.1125000 0.0649519 0.1837117), wk = 0.0031746 k( 128) = ( 0.1050000 0.0606218 0.1714643), wk = 0.0031746 k( 129) = ( 0.0975000 0.0562917 0.1592168), wk = 0.0031746 k( 130) = ( 0.0900000 0.0519615 0.1469694), wk = 0.0031746 k( 131) = ( 0.0825000 0.0476314 0.1347219), wk = 0.0031746 k( 132) = ( 0.0750000 0.0433013 0.1224745), wk = 0.0031746 k( 133) = ( 0.0675000 0.0389711 0.1102270), wk = 0.0031746 k( 134) = ( 0.0600000 0.0346410 0.0979796), wk = 0.0031746 k( 135) = ( 0.0525000 0.0303109 0.0857321), wk = 0.0031746 k( 136) = ( 0.0450000 0.0259808 0.0734847), wk = 0.0031746 k( 137) = ( 0.0375000 0.0216506 0.0612372), wk = 0.0031746 k( 138) = ( 0.0300000 0.0173205 0.0489898), wk = 0.0031746 k( 139) = ( 0.0225000 0.0129904 0.0367423), wk = 0.0031746 k( 140) = ( 0.0150000 0.0086603 0.0244949), wk = 0.0031746 k( 141) = ( 0.0075000 0.0043301 0.0122474), wk = 0.0031746 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 144) = ( 0.0121951 0.0070409 0.0049786), wk = 0.0031746 k( 145) = ( 0.0243902 0.0140817 0.0099573), wk = 0.0031746 k( 146) = ( 0.0365854 0.0211226 0.0149359), wk = 0.0031746 k( 147) = ( 0.0487805 0.0281634 0.0199146), wk = 0.0031746 k( 148) = ( 0.0609756 0.0352043 0.0248932), wk = 0.0031746 k( 149) = ( 0.0731707 0.0422451 0.0298718), wk = 0.0031746 k( 150) = ( 0.0853658 0.0492860 0.0348505), wk = 0.0031746 k( 151) = ( 0.0975610 0.0563269 0.0398291), wk = 0.0031746 k( 152) = ( 0.1097561 0.0633677 0.0448077), wk = 0.0031746 k( 153) = ( 0.1219512 0.0704086 0.0497864), wk = 0.0031746 k( 154) = ( 0.1341463 0.0774494 0.0547650), wk = 0.0031746 k( 155) = ( 0.1463415 0.0844903 0.0597437), wk = 0.0031746 k( 156) = ( 0.1585366 0.0915311 0.0647223), wk = 0.0031746 k( 157) = ( 0.1707317 0.0985720 0.0697009), wk = 0.0031746 k( 158) = ( 0.1829268 0.1056129 0.0746796), wk = 0.0031746 k( 159) = ( 0.1951219 0.1126537 0.0796582), wk = 0.0031746 k( 160) = ( 0.2073171 0.1196946 0.0846368), wk = 0.0031746 k( 161) = ( 0.2195122 0.1267354 0.0896155), wk = 0.0031746 k( 162) = ( 0.2317073 0.1337763 0.0945941), wk = 0.0031746 k( 163) = ( 0.2439024 0.1408171 0.0995728), wk = 0.0031746 k( 164) = ( 0.2560976 0.1478580 0.1045514), wk = 0.0031746 k( 165) = ( 0.2682927 0.1548989 0.1095300), wk = 0.0031746 k( 166) = ( 0.2804878 0.1619397 0.1145087), wk = 0.0031746 k( 167) = ( 0.2926829 0.1689806 0.1194873), wk = 0.0031746 k( 168) = ( 0.3048781 0.1760214 0.1244659), wk = 0.0031746 k( 169) = ( 0.3170732 0.1830623 0.1294446), wk = 0.0031746 k( 170) = ( 0.3292683 0.1901031 0.1344232), wk = 0.0031746 k( 171) = ( 0.3414634 0.1971440 0.1394019), wk = 0.0031746 k( 172) = ( 0.3536585 0.2041849 0.1443805), wk = 0.0031746 k( 173) = ( 0.3658537 0.2112257 0.1493591), wk = 0.0031746 k( 174) = ( 0.3780488 0.2182666 0.1543378), wk = 0.0031746 k( 175) = ( 0.3902439 0.2253074 0.1593164), wk = 0.0031746 k( 176) = ( 0.4024390 0.2323483 0.1642950), wk = 0.0031746 k( 177) = ( 0.4146341 0.2393891 0.1692737), wk = 0.0031746 k( 178) = ( 0.4268293 0.2464300 0.1742523), wk = 0.0031746 k( 179) = ( 0.4390244 0.2534708 0.1792310), wk = 0.0031746 k( 180) = ( 0.4512195 0.2605117 0.1842096), wk = 0.0031746 k( 181) = ( 0.4634146 0.2675526 0.1891882), wk = 0.0031746 k( 182) = ( 0.4756098 0.2745934 0.1941669), wk = 0.0031746 k( 183) = ( 0.4878049 0.2816343 0.1991455), wk = 0.0031746 k( 184) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031746 k( 185) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031746 k( 186) = ( 0.5043103 0.2762322 0.2111629), wk = 0.0031746 k( 187) = ( 0.5086207 0.2637893 0.2182017), wk = 0.0031746 k( 188) = ( 0.5129310 0.2513465 0.2252404), wk = 0.0031746 k( 189) = ( 0.5172414 0.2389036 0.2322792), wk = 0.0031746 k( 190) = ( 0.5215517 0.2264607 0.2393180), wk = 0.0031746 k( 191) = ( 0.5258621 0.2140178 0.2463567), wk = 0.0031746 k( 192) = ( 0.5301724 0.2015749 0.2533955), wk = 0.0031746 k( 193) = ( 0.5344828 0.1891320 0.2604343), wk = 0.0031746 k( 194) = ( 0.5387931 0.1766891 0.2674730), wk = 0.0031746 k( 195) = ( 0.5431035 0.1642462 0.2745118), wk = 0.0031746 k( 196) = ( 0.5474138 0.1518033 0.2815505), wk = 0.0031746 k( 197) = ( 0.5517241 0.1393604 0.2885893), wk = 0.0031746 k( 198) = ( 0.5560345 0.1269175 0.2956281), wk = 0.0031746 k( 199) = ( 0.5603448 0.1144746 0.3026668), wk = 0.0031746 k( 200) = ( 0.5646552 0.1020317 0.3097056), wk = 0.0031746 k( 201) = ( 0.5689655 0.0895888 0.3167444), wk = 0.0031746 k( 202) = ( 0.5732759 0.0771459 0.3237831), wk = 0.0031746 k( 203) = ( 0.5775862 0.0647030 0.3308219), wk = 0.0031746 k( 204) = ( 0.5818965 0.0522602 0.3378607), wk = 0.0031746 k( 205) = ( 0.5862069 0.0398173 0.3448994), wk = 0.0031746 k( 206) = ( 0.5905172 0.0273744 0.3519382), wk = 0.0031746 k( 207) = ( 0.5948276 0.0149315 0.3589769), wk = 0.0031746 k( 208) = ( 0.5991379 0.0024886 0.3660157), wk = 0.0031746 k( 209) = ( 0.6034483 -0.0099543 0.3730545), wk = 0.0031746 k( 210) = ( 0.6077586 -0.0223972 0.3800932), wk = 0.0031746 k( 211) = ( 0.6120690 -0.0348401 0.3871320), wk = 0.0031746 k( 212) = ( 0.6163793 -0.0472830 0.3941708), wk = 0.0031746 k( 213) = ( 0.6206897 -0.0597259 0.4012095), wk = 0.0031746 k( 214) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031746 k( 215) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031746 k( 216) = ( 0.6176471 -0.0679236 0.4202556), wk = 0.0031746 k( 217) = ( 0.6102941 -0.0636783 0.4322629), wk = 0.0031746 k( 218) = ( 0.6029412 -0.0594331 0.4442702), wk = 0.0031746 k( 219) = ( 0.5955882 -0.0551879 0.4562775), wk = 0.0031746 k( 220) = ( 0.5882353 -0.0509427 0.4682848), wk = 0.0031746 k( 221) = ( 0.5808823 -0.0466974 0.4802921), wk = 0.0031746 k( 222) = ( 0.5735294 -0.0424522 0.4922994), wk = 0.0031746 k( 223) = ( 0.5661765 -0.0382070 0.5043067), wk = 0.0031746 k( 224) = ( 0.5588235 -0.0339618 0.5163140), wk = 0.0031746 k( 225) = ( 0.5514706 -0.0297166 0.5283213), wk = 0.0031746 k( 226) = ( 0.5441177 -0.0254713 0.5403286), wk = 0.0031746 k( 227) = ( 0.5367647 -0.0212261 0.5523359), wk = 0.0031746 k( 228) = ( 0.5294118 -0.0169809 0.5643432), wk = 0.0031746 k( 229) = ( 0.5220588 -0.0127357 0.5763505), wk = 0.0031746 k( 230) = ( 0.5147059 -0.0084904 0.5883578), wk = 0.0031746 k( 231) = ( 0.5073529 -0.0042452 0.6003651), wk = 0.0031746 k( 232) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0031746 k( 233) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0031746 k( 234) = ( 0.5000000 0.0084904 0.6003651), wk = 0.0031746 k( 235) = ( 0.5000000 0.0169809 0.5883578), wk = 0.0031746 k( 236) = ( 0.5000000 0.0254713 0.5763505), wk = 0.0031746 k( 237) = ( 0.5000000 0.0339618 0.5643432), wk = 0.0031746 k( 238) = ( 0.5000000 0.0424522 0.5523359), wk = 0.0031746 k( 239) = ( 0.5000000 0.0509427 0.5403286), wk = 0.0031746 k( 240) = ( 0.5000000 0.0594331 0.5283213), wk = 0.0031746 k( 241) = ( 0.5000000 0.0679236 0.5163140), wk = 0.0031746 k( 242) = ( 0.5000000 0.0764140 0.5043067), wk = 0.0031746 k( 243) = ( 0.5000000 0.0849044 0.4922994), wk = 0.0031746 k( 244) = ( 0.5000000 0.0933949 0.4802921), wk = 0.0031746 k( 245) = ( 0.5000000 0.1018853 0.4682848), wk = 0.0031746 k( 246) = ( 0.5000000 0.1103758 0.4562775), wk = 0.0031746 k( 247) = ( 0.5000000 0.1188662 0.4442702), wk = 0.0031746 k( 248) = ( 0.5000000 0.1273567 0.4322629), wk = 0.0031746 k( 249) = ( 0.5000000 0.1358471 0.4202556), wk = 0.0031746 k( 250) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0031746 k( 251) = ( 0.5000000 0.1528280 0.3962410), wk = 0.0031746 k( 252) = ( 0.5000000 0.1613185 0.3842337), wk = 0.0031746 k( 253) = ( 0.5000000 0.1698089 0.3722264), wk = 0.0031746 k( 254) = ( 0.5000000 0.1782993 0.3602191), wk = 0.0031746 k( 255) = ( 0.5000000 0.1867898 0.3482118), wk = 0.0031746 k( 256) = ( 0.5000000 0.1952802 0.3362045), wk = 0.0031746 k( 257) = ( 0.5000000 0.2037707 0.3241972), wk = 0.0031746 k( 258) = ( 0.5000000 0.2122611 0.3121899), wk = 0.0031746 k( 259) = ( 0.5000000 0.2207516 0.3001826), wk = 0.0031746 k( 260) = ( 0.5000000 0.2292420 0.2881753), wk = 0.0031746 k( 261) = ( 0.5000000 0.2377325 0.2761680), wk = 0.0031746 k( 262) = ( 0.5000000 0.2462229 0.2641607), wk = 0.0031746 k( 263) = ( 0.5000000 0.2547134 0.2521533), wk = 0.0031746 k( 264) = ( 0.5000000 0.2632038 0.2401460), wk = 0.0031746 k( 265) = ( 0.5000000 0.2716942 0.2281387), wk = 0.0031746 k( 266) = ( 0.5000000 0.2801847 0.2161314), wk = 0.0031746 k( 267) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031746 k( 268) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031746 k( 269) = ( 0.4956897 0.2861866 0.2182017), wk = 0.0031746 k( 270) = ( 0.4913793 0.2836980 0.2322792), wk = 0.0031746 k( 271) = ( 0.4870690 0.2812094 0.2463567), wk = 0.0031746 k( 272) = ( 0.4827586 0.2787208 0.2604343), wk = 0.0031746 k( 273) = ( 0.4784483 0.2762322 0.2745118), wk = 0.0031746 k( 274) = ( 0.4741379 0.2737437 0.2885893), wk = 0.0031746 k( 275) = ( 0.4698276 0.2712551 0.3026668), wk = 0.0031746 k( 276) = ( 0.4655172 0.2687665 0.3167444), wk = 0.0031746 k( 277) = ( 0.4612069 0.2662779 0.3308219), wk = 0.0031746 k( 278) = ( 0.4568966 0.2637893 0.3448994), wk = 0.0031746 k( 279) = ( 0.4525862 0.2613008 0.3589769), wk = 0.0031746 k( 280) = ( 0.4482759 0.2588122 0.3730545), wk = 0.0031746 k( 281) = ( 0.4439655 0.2563236 0.3871320), wk = 0.0031746 k( 282) = ( 0.4396552 0.2538350 0.4012095), wk = 0.0031746 k( 283) = ( 0.4353448 0.2513465 0.4152870), wk = 0.0031746 k( 284) = ( 0.4310345 0.2488579 0.4293646), wk = 0.0031746 k( 285) = ( 0.4267241 0.2463693 0.4434421), wk = 0.0031746 k( 286) = ( 0.4224138 0.2438807 0.4575196), wk = 0.0031746 k( 287) = ( 0.4181034 0.2413921 0.4715972), wk = 0.0031746 k( 288) = ( 0.4137931 0.2389036 0.4856747), wk = 0.0031746 k( 289) = ( 0.4094828 0.2364150 0.4997522), wk = 0.0031746 k( 290) = ( 0.4051724 0.2339264 0.5138297), wk = 0.0031746 k( 291) = ( 0.4008621 0.2314378 0.5279073), wk = 0.0031746 k( 292) = ( 0.3965517 0.2289492 0.5419848), wk = 0.0031746 k( 293) = ( 0.3922414 0.2264607 0.5560623), wk = 0.0031746 k( 294) = ( 0.3879310 0.2239721 0.5701399), wk = 0.0031746 k( 295) = ( 0.3836207 0.2214835 0.5842174), wk = 0.0031746 k( 296) = ( 0.3793103 0.2189949 0.5982949), wk = 0.0031746 k( 297) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031746 k( 298) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031746 k( 299) = ( 0.6176471 -0.0849044 0.4082483), wk = 0.0031746 k( 300) = ( 0.6102941 -0.0976401 0.4082483), wk = 0.0031746 k( 301) = ( 0.6029412 -0.1103758 0.4082483), wk = 0.0031746 k( 302) = ( 0.5955882 -0.1231115 0.4082483), wk = 0.0031746 k( 303) = ( 0.5882353 -0.1358471 0.4082483), wk = 0.0031746 k( 304) = ( 0.5808823 -0.1485828 0.4082483), wk = 0.0031746 k( 305) = ( 0.5735294 -0.1613185 0.4082483), wk = 0.0031746 k( 306) = ( 0.5661765 -0.1740541 0.4082483), wk = 0.0031746 k( 307) = ( 0.5588235 -0.1867898 0.4082483), wk = 0.0031746 k( 308) = ( 0.5514706 -0.1995255 0.4082483), wk = 0.0031746 k( 309) = ( 0.5441177 -0.2122611 0.4082483), wk = 0.0031746 k( 310) = ( 0.5367647 -0.2249968 0.4082483), wk = 0.0031746 k( 311) = ( 0.5294118 -0.2377325 0.4082483), wk = 0.0031746 k( 312) = ( 0.5220588 -0.2504681 0.4082483), wk = 0.0031746 k( 313) = ( 0.5147059 -0.2632038 0.4082483), wk = 0.0031746 k( 314) = ( 0.5073529 -0.2759395 0.4082483), wk = 0.0031746 k( 315) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031746 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 2) = ( 0.0106383 0.0000000 0.0106383), wk = 0.0031746 k( 3) = ( 0.0212766 0.0000000 0.0212766), wk = 0.0031746 k( 4) = ( 0.0319149 0.0000000 0.0319149), wk = 0.0031746 k( 5) = ( 0.0425532 0.0000000 0.0425532), wk = 0.0031746 k( 6) = ( 0.0531915 0.0000000 0.0531915), wk = 0.0031746 k( 7) = ( 0.0638298 0.0000000 0.0638298), wk = 0.0031746 k( 8) = ( 0.0744681 -0.0000000 0.0744681), wk = 0.0031746 k( 9) = ( 0.0851064 0.0000000 0.0851064), wk = 0.0031746 k( 10) = ( 0.0957447 0.0000000 0.0957447), wk = 0.0031746 k( 11) = ( 0.1063830 0.0000000 0.1063830), wk = 0.0031746 k( 12) = ( 0.1170213 0.0000000 0.1170213), wk = 0.0031746 k( 13) = ( 0.1276596 0.0000000 0.1276596), wk = 0.0031746 k( 14) = ( 0.1382979 0.0000000 0.1382979), wk = 0.0031746 k( 15) = ( 0.1489362 -0.0000000 0.1489362), wk = 0.0031746 k( 16) = ( 0.1595745 0.0000000 0.1595745), wk = 0.0031746 k( 17) = ( 0.1702128 0.0000000 0.1702128), wk = 0.0031746 k( 18) = ( 0.1808511 0.0000000 0.1808511), wk = 0.0031746 k( 19) = ( 0.1914894 0.0000000 0.1914894), wk = 0.0031746 k( 20) = ( 0.2021277 0.0000000 0.2021277), wk = 0.0031746 k( 21) = ( 0.2127660 0.0000000 0.2127660), wk = 0.0031746 k( 22) = ( 0.2234043 0.0000000 0.2234043), wk = 0.0031746 k( 23) = ( 0.2340425 0.0000000 0.2340426), wk = 0.0031746 k( 24) = ( 0.2446809 0.0000000 0.2446809), wk = 0.0031746 k( 25) = ( 0.2553191 -0.0000000 0.2553192), wk = 0.0031746 k( 26) = ( 0.2659574 -0.0000000 0.2659575), wk = 0.0031746 k( 27) = ( 0.2765957 0.0000000 0.2765957), wk = 0.0031746 k( 28) = ( 0.2872340 0.0000000 0.2872340), wk = 0.0031746 k( 29) = ( 0.2978723 -0.0000000 0.2978723), wk = 0.0031746 k( 30) = ( 0.3085106 0.0000000 0.3085106), wk = 0.0031746 k( 31) = ( 0.3191489 0.0000000 0.3191489), wk = 0.0031746 k( 32) = ( 0.3297872 -0.0000000 0.3297872), wk = 0.0031746 k( 33) = ( 0.3404255 0.0000000 0.3404255), wk = 0.0031746 k( 34) = ( 0.3510638 0.0000000 0.3510638), wk = 0.0031746 k( 35) = ( 0.3617021 0.0000000 0.3617021), wk = 0.0031746 k( 36) = ( 0.3723404 0.0000000 0.3723404), wk = 0.0031746 k( 37) = ( 0.3829787 0.0000000 0.3829787), wk = 0.0031746 k( 38) = ( 0.3936170 0.0000000 0.3936170), wk = 0.0031746 k( 39) = ( 0.4042553 0.0000000 0.4042553), wk = 0.0031746 k( 40) = ( 0.4148936 0.0000000 0.4148936), wk = 0.0031746 k( 41) = ( 0.4255319 0.0000000 0.4255319), wk = 0.0031746 k( 42) = ( 0.4361702 0.0000000 0.4361702), wk = 0.0031746 k( 43) = ( 0.4468085 0.0000000 0.4468085), wk = 0.0031746 k( 44) = ( 0.4574468 0.0000000 0.4574468), wk = 0.0031746 k( 45) = ( 0.4680851 0.0000000 0.4680851), wk = 0.0031746 k( 46) = ( 0.4787234 0.0000000 0.4787234), wk = 0.0031746 k( 47) = ( 0.4893617 0.0000000 0.4893617), wk = 0.0031746 k( 48) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031746 k( 49) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031746 k( 50) = ( 0.5000000 0.0104167 0.5104167), wk = 0.0031746 k( 51) = ( 0.5000000 0.0208333 0.5208333), wk = 0.0031746 k( 52) = ( 0.5000000 0.0312500 0.5312500), wk = 0.0031746 k( 53) = ( 0.5000000 0.0416667 0.5416667), wk = 0.0031746 k( 54) = ( 0.5000000 0.0520833 0.5520833), wk = 0.0031746 k( 55) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0031746 k( 56) = ( 0.5000000 0.0729167 0.5729167), wk = 0.0031746 k( 57) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0031746 k( 58) = ( 0.5000000 0.0937500 0.5937500), wk = 0.0031746 k( 59) = ( 0.5000000 0.1041667 0.6041667), wk = 0.0031746 k( 60) = ( 0.5000000 0.1145833 0.6145833), wk = 0.0031746 k( 61) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0031746 k( 62) = ( 0.5000000 0.1354167 0.6354167), wk = 0.0031746 k( 63) = ( 0.5000000 0.1458333 0.6458333), wk = 0.0031746 k( 64) = ( 0.5000000 0.1562500 0.6562500), wk = 0.0031746 k( 65) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0031746 k( 66) = ( 0.5000000 0.1770833 0.6770833), wk = 0.0031746 k( 67) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0031746 k( 68) = ( 0.5000000 0.1979167 0.6979167), wk = 0.0031746 k( 69) = ( 0.5000000 0.2083333 0.7083333), wk = 0.0031746 k( 70) = ( 0.5000000 0.2187500 0.7187500), wk = 0.0031746 k( 71) = ( 0.5000000 0.2291667 0.7291667), wk = 0.0031746 k( 72) = ( 0.5000000 0.2395833 0.7395833), wk = 0.0031746 k( 73) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031746 k( 74) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031746 k( 75) = ( 0.4926471 0.2573529 0.7500000), wk = 0.0031746 k( 76) = ( 0.4852941 0.2647059 0.7500000), wk = 0.0031746 k( 77) = ( 0.4779412 0.2720588 0.7500000), wk = 0.0031746 k( 78) = ( 0.4705882 0.2794118 0.7500000), wk = 0.0031746 k( 79) = ( 0.4632353 0.2867647 0.7500000), wk = 0.0031746 k( 80) = ( 0.4558823 0.2941177 0.7500000), wk = 0.0031746 k( 81) = ( 0.4485294 0.3014706 0.7500000), wk = 0.0031746 k( 82) = ( 0.4411765 0.3088235 0.7500000), wk = 0.0031746 k( 83) = ( 0.4338235 0.3161765 0.7500000), wk = 0.0031746 k( 84) = ( 0.4264706 0.3235294 0.7500000), wk = 0.0031746 k( 85) = ( 0.4191177 0.3308824 0.7500000), wk = 0.0031746 k( 86) = ( 0.4117647 0.3382353 0.7500000), wk = 0.0031746 k( 87) = ( 0.4044118 0.3455882 0.7500000), wk = 0.0031746 k( 88) = ( 0.3970588 0.3529412 0.7500000), wk = 0.0031746 k( 89) = ( 0.3897059 0.3602941 0.7500000), wk = 0.0031746 k( 90) = ( 0.3823529 0.3676471 0.7500000), wk = 0.0031746 k( 91) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031746 k( 92) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031746 k( 93) = ( 0.3675000 0.3675000 0.7350000), wk = 0.0031746 k( 94) = ( 0.3600000 0.3600000 0.7200000), wk = 0.0031746 k( 95) = ( 0.3525000 0.3525000 0.7050000), wk = 0.0031746 k( 96) = ( 0.3450000 0.3450000 0.6900000), wk = 0.0031746 k( 97) = ( 0.3375000 0.3375000 0.6750000), wk = 0.0031746 k( 98) = ( 0.3300000 0.3300000 0.6600000), wk = 0.0031746 k( 99) = ( 0.3225000 0.3225000 0.6450000), wk = 0.0031746 k( 100) = ( 0.3150000 0.3150000 0.6300000), wk = 0.0031746 k( 101) = ( 0.3075000 0.3075000 0.6150000), wk = 0.0031746 k( 102) = ( 0.3000000 0.3000000 0.6000000), wk = 0.0031746 k( 103) = ( 0.2925000 0.2925000 0.5850000), wk = 0.0031746 k( 104) = ( 0.2850000 0.2850000 0.5700000), wk = 0.0031746 k( 105) = ( 0.2775000 0.2775000 0.5550000), wk = 0.0031746 k( 106) = ( 0.2700000 0.2700000 0.5400000), wk = 0.0031746 k( 107) = ( 0.2625000 0.2625000 0.5250000), wk = 0.0031746 k( 108) = ( 0.2550000 0.2550000 0.5100000), wk = 0.0031746 k( 109) = ( 0.2475000 0.2475000 0.4950000), wk = 0.0031746 k( 110) = ( 0.2400000 0.2400000 0.4800000), wk = 0.0031746 k( 111) = ( 0.2325000 0.2325000 0.4650000), wk = 0.0031746 k( 112) = ( 0.2250000 0.2250000 0.4500000), wk = 0.0031746 k( 113) = ( 0.2175000 0.2175000 0.4350000), wk = 0.0031746 k( 114) = ( 0.2100000 0.2100000 0.4200000), wk = 0.0031746 k( 115) = ( 0.2025000 0.2025000 0.4050000), wk = 0.0031746 k( 116) = ( 0.1950000 0.1950000 0.3900000), wk = 0.0031746 k( 117) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0031746 k( 118) = ( 0.1800000 0.1800000 0.3600000), wk = 0.0031746 k( 119) = ( 0.1725000 0.1725000 0.3450000), wk = 0.0031746 k( 120) = ( 0.1650000 0.1650000 0.3300000), wk = 0.0031746 k( 121) = ( 0.1575000 0.1575000 0.3150000), wk = 0.0031746 k( 122) = ( 0.1500000 0.1500000 0.3000000), wk = 0.0031746 k( 123) = ( 0.1425000 0.1425000 0.2850000), wk = 0.0031746 k( 124) = ( 0.1350000 0.1350000 0.2700000), wk = 0.0031746 k( 125) = ( 0.1275000 0.1275000 0.2550000), wk = 0.0031746 k( 126) = ( 0.1200000 0.1200000 0.2400000), wk = 0.0031746 k( 127) = ( 0.1125000 0.1125000 0.2250000), wk = 0.0031746 k( 128) = ( 0.1050000 0.1050000 0.2100000), wk = 0.0031746 k( 129) = ( 0.0975000 0.0975000 0.1950000), wk = 0.0031746 k( 130) = ( 0.0900000 0.0900000 0.1800000), wk = 0.0031746 k( 131) = ( 0.0825000 0.0825000 0.1650000), wk = 0.0031746 k( 132) = ( 0.0750000 0.0750000 0.1500000), wk = 0.0031746 k( 133) = ( 0.0675000 0.0675000 0.1350000), wk = 0.0031746 k( 134) = ( 0.0600000 0.0600000 0.1200000), wk = 0.0031746 k( 135) = ( 0.0525000 0.0525000 0.1050000), wk = 0.0031746 k( 136) = ( 0.0450000 0.0450000 0.0900000), wk = 0.0031746 k( 137) = ( 0.0375000 0.0375000 0.0750000), wk = 0.0031746 k( 138) = ( 0.0300000 0.0300000 0.0600000), wk = 0.0031746 k( 139) = ( 0.0225000 0.0225000 0.0450000), wk = 0.0031746 k( 140) = ( 0.0150000 0.0150000 0.0300000), wk = 0.0031746 k( 141) = ( 0.0075000 0.0075000 0.0150000), wk = 0.0031746 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 144) = ( 0.0121951 0.0121951 0.0121951), wk = 0.0031746 k( 145) = ( 0.0243902 0.0243902 0.0243902), wk = 0.0031746 k( 146) = ( 0.0365854 0.0365854 0.0365854), wk = 0.0031746 k( 147) = ( 0.0487805 0.0487805 0.0487805), wk = 0.0031746 k( 148) = ( 0.0609756 0.0609756 0.0609756), wk = 0.0031746 k( 149) = ( 0.0731707 0.0731707 0.0731707), wk = 0.0031746 k( 150) = ( 0.0853658 0.0853659 0.0853659), wk = 0.0031746 k( 151) = ( 0.0975610 0.0975610 0.0975610), wk = 0.0031746 k( 152) = ( 0.1097561 0.1097561 0.1097561), wk = 0.0031746 k( 153) = ( 0.1219512 0.1219512 0.1219512), wk = 0.0031746 k( 154) = ( 0.1341463 0.1341463 0.1341463), wk = 0.0031746 k( 155) = ( 0.1463415 0.1463415 0.1463415), wk = 0.0031746 k( 156) = ( 0.1585366 0.1585366 0.1585366), wk = 0.0031746 k( 157) = ( 0.1707317 0.1707317 0.1707317), wk = 0.0031746 k( 158) = ( 0.1829268 0.1829268 0.1829268), wk = 0.0031746 k( 159) = ( 0.1951219 0.1951220 0.1951219), wk = 0.0031746 k( 160) = ( 0.2073171 0.2073171 0.2073171), wk = 0.0031746 k( 161) = ( 0.2195122 0.2195122 0.2195122), wk = 0.0031746 k( 162) = ( 0.2317073 0.2317073 0.2317073), wk = 0.0031746 k( 163) = ( 0.2439024 0.2439024 0.2439024), wk = 0.0031746 k( 164) = ( 0.2560976 0.2560976 0.2560976), wk = 0.0031746 k( 165) = ( 0.2682927 0.2682927 0.2682927), wk = 0.0031746 k( 166) = ( 0.2804878 0.2804878 0.2804878), wk = 0.0031746 k( 167) = ( 0.2926829 0.2926829 0.2926829), wk = 0.0031746 k( 168) = ( 0.3048781 0.3048781 0.3048781), wk = 0.0031746 k( 169) = ( 0.3170732 0.3170732 0.3170732), wk = 0.0031746 k( 170) = ( 0.3292683 0.3292683 0.3292683), wk = 0.0031746 k( 171) = ( 0.3414634 0.3414634 0.3414634), wk = 0.0031746 k( 172) = ( 0.3536585 0.3536585 0.3536585), wk = 0.0031746 k( 173) = ( 0.3658537 0.3658537 0.3658537), wk = 0.0031746 k( 174) = ( 0.3780488 0.3780488 0.3780488), wk = 0.0031746 k( 175) = ( 0.3902439 0.3902439 0.3902439), wk = 0.0031746 k( 176) = ( 0.4024390 0.4024390 0.4024390), wk = 0.0031746 k( 177) = ( 0.4146341 0.4146342 0.4146342), wk = 0.0031746 k( 178) = ( 0.4268293 0.4268293 0.4268293), wk = 0.0031746 k( 179) = ( 0.4390244 0.4390244 0.4390244), wk = 0.0031746 k( 180) = ( 0.4512195 0.4512195 0.4512195), wk = 0.0031746 k( 181) = ( 0.4634146 0.4634146 0.4634146), wk = 0.0031746 k( 182) = ( 0.4756098 0.4756098 0.4756098), wk = 0.0031746 k( 183) = ( 0.4878049 0.4878049 0.4878049), wk = 0.0031746 k( 184) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031746 k( 185) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031746 k( 186) = ( 0.5043103 0.4913793 0.5043103), wk = 0.0031746 k( 187) = ( 0.5086207 0.4827586 0.5086207), wk = 0.0031746 k( 188) = ( 0.5129310 0.4741379 0.5129310), wk = 0.0031746 k( 189) = ( 0.5172414 0.4655172 0.5172414), wk = 0.0031746 k( 190) = ( 0.5215517 0.4568966 0.5215517), wk = 0.0031746 k( 191) = ( 0.5258621 0.4482759 0.5258621), wk = 0.0031746 k( 192) = ( 0.5301724 0.4396552 0.5301724), wk = 0.0031746 k( 193) = ( 0.5344828 0.4310345 0.5344828), wk = 0.0031746 k( 194) = ( 0.5387931 0.4224138 0.5387931), wk = 0.0031746 k( 195) = ( 0.5431035 0.4137931 0.5431035), wk = 0.0031746 k( 196) = ( 0.5474138 0.4051724 0.5474138), wk = 0.0031746 k( 197) = ( 0.5517241 0.3965517 0.5517241), wk = 0.0031746 k( 198) = ( 0.5560345 0.3879310 0.5560345), wk = 0.0031746 k( 199) = ( 0.5603448 0.3793103 0.5603448), wk = 0.0031746 k( 200) = ( 0.5646552 0.3706897 0.5646552), wk = 0.0031746 k( 201) = ( 0.5689655 0.3620690 0.5689655), wk = 0.0031746 k( 202) = ( 0.5732759 0.3534483 0.5732759), wk = 0.0031746 k( 203) = ( 0.5775862 0.3448276 0.5775862), wk = 0.0031746 k( 204) = ( 0.5818965 0.3362069 0.5818966), wk = 0.0031746 k( 205) = ( 0.5862069 0.3275862 0.5862069), wk = 0.0031746 k( 206) = ( 0.5905172 0.3189655 0.5905172), wk = 0.0031746 k( 207) = ( 0.5948276 0.3103448 0.5948276), wk = 0.0031746 k( 208) = ( 0.5991379 0.3017241 0.5991379), wk = 0.0031746 k( 209) = ( 0.6034483 0.2931035 0.6034483), wk = 0.0031746 k( 210) = ( 0.6077586 0.2844828 0.6077586), wk = 0.0031746 k( 211) = ( 0.6120690 0.2758621 0.6120690), wk = 0.0031746 k( 212) = ( 0.6163793 0.2672414 0.6163793), wk = 0.0031746 k( 213) = ( 0.6206897 0.2586207 0.6206897), wk = 0.0031746 k( 214) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031746 k( 215) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031746 k( 216) = ( 0.6176471 0.2500000 0.6323529), wk = 0.0031746 k( 217) = ( 0.6102941 0.2500000 0.6397059), wk = 0.0031746 k( 218) = ( 0.6029412 0.2500000 0.6470588), wk = 0.0031746 k( 219) = ( 0.5955882 0.2500000 0.6544118), wk = 0.0031746 k( 220) = ( 0.5882353 0.2500000 0.6617647), wk = 0.0031746 k( 221) = ( 0.5808823 0.2500000 0.6691177), wk = 0.0031746 k( 222) = ( 0.5735294 0.2500000 0.6764706), wk = 0.0031746 k( 223) = ( 0.5661765 0.2500000 0.6838235), wk = 0.0031746 k( 224) = ( 0.5588235 0.2500000 0.6911765), wk = 0.0031746 k( 225) = ( 0.5514706 0.2500000 0.6985294), wk = 0.0031746 k( 226) = ( 0.5441177 0.2500000 0.7058824), wk = 0.0031746 k( 227) = ( 0.5367647 0.2500000 0.7132353), wk = 0.0031746 k( 228) = ( 0.5294118 0.2500000 0.7205882), wk = 0.0031746 k( 229) = ( 0.5220588 0.2500000 0.7279412), wk = 0.0031746 k( 230) = ( 0.5147059 0.2500000 0.7352941), wk = 0.0031746 k( 231) = ( 0.5073529 0.2500000 0.7426471), wk = 0.0031746 k( 232) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031746 k( 233) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031746 k( 234) = ( 0.5000000 0.2573529 0.7426471), wk = 0.0031746 k( 235) = ( 0.5000000 0.2647059 0.7352941), wk = 0.0031746 k( 236) = ( 0.5000000 0.2720588 0.7279412), wk = 0.0031746 k( 237) = ( 0.5000000 0.2794118 0.7205882), wk = 0.0031746 k( 238) = ( 0.5000000 0.2867647 0.7132353), wk = 0.0031746 k( 239) = ( 0.5000000 0.2941177 0.7058824), wk = 0.0031746 k( 240) = ( 0.5000000 0.3014706 0.6985294), wk = 0.0031746 k( 241) = ( 0.5000000 0.3088235 0.6911765), wk = 0.0031746 k( 242) = ( 0.5000000 0.3161765 0.6838235), wk = 0.0031746 k( 243) = ( 0.5000000 0.3235294 0.6764706), wk = 0.0031746 k( 244) = ( 0.5000000 0.3308824 0.6691177), wk = 0.0031746 k( 245) = ( 0.5000000 0.3382353 0.6617647), wk = 0.0031746 k( 246) = ( 0.5000000 0.3455882 0.6544118), wk = 0.0031746 k( 247) = ( 0.5000000 0.3529412 0.6470588), wk = 0.0031746 k( 248) = ( 0.5000000 0.3602941 0.6397059), wk = 0.0031746 k( 249) = ( 0.5000000 0.3676471 0.6323529), wk = 0.0031746 k( 250) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0031746 k( 251) = ( 0.5000000 0.3823529 0.6176471), wk = 0.0031746 k( 252) = ( 0.5000000 0.3897059 0.6102941), wk = 0.0031746 k( 253) = ( 0.5000000 0.3970588 0.6029412), wk = 0.0031746 k( 254) = ( 0.5000000 0.4044118 0.5955882), wk = 0.0031746 k( 255) = ( 0.5000000 0.4117647 0.5882353), wk = 0.0031746 k( 256) = ( 0.5000000 0.4191177 0.5808824), wk = 0.0031746 k( 257) = ( 0.5000000 0.4264706 0.5735294), wk = 0.0031746 k( 258) = ( 0.5000000 0.4338235 0.5661765), wk = 0.0031746 k( 259) = ( 0.5000000 0.4411765 0.5588235), wk = 0.0031746 k( 260) = ( 0.5000000 0.4485294 0.5514706), wk = 0.0031746 k( 261) = ( 0.5000000 0.4558824 0.5441177), wk = 0.0031746 k( 262) = ( 0.5000000 0.4632353 0.5367647), wk = 0.0031746 k( 263) = ( 0.5000000 0.4705882 0.5294118), wk = 0.0031746 k( 264) = ( 0.5000000 0.4779412 0.5220588), wk = 0.0031746 k( 265) = ( 0.5000000 0.4852941 0.5147059), wk = 0.0031746 k( 266) = ( 0.5000000 0.4926471 0.5073529), wk = 0.0031746 k( 267) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031746 k( 268) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031746 k( 269) = ( 0.4956897 0.4956897 0.5086207), wk = 0.0031746 k( 270) = ( 0.4913793 0.4913793 0.5172414), wk = 0.0031746 k( 271) = ( 0.4870690 0.4870690 0.5258621), wk = 0.0031746 k( 272) = ( 0.4827586 0.4827586 0.5344828), wk = 0.0031746 k( 273) = ( 0.4784483 0.4784483 0.5431035), wk = 0.0031746 k( 274) = ( 0.4741379 0.4741379 0.5517241), wk = 0.0031746 k( 275) = ( 0.4698276 0.4698276 0.5603448), wk = 0.0031746 k( 276) = ( 0.4655172 0.4655172 0.5689655), wk = 0.0031746 k( 277) = ( 0.4612069 0.4612069 0.5775862), wk = 0.0031746 k( 278) = ( 0.4568966 0.4568966 0.5862069), wk = 0.0031746 k( 279) = ( 0.4525862 0.4525862 0.5948276), wk = 0.0031746 k( 280) = ( 0.4482759 0.4482759 0.6034483), wk = 0.0031746 k( 281) = ( 0.4439655 0.4439655 0.6120690), wk = 0.0031746 k( 282) = ( 0.4396552 0.4396552 0.6206897), wk = 0.0031746 k( 283) = ( 0.4353448 0.4353448 0.6293103), wk = 0.0031746 k( 284) = ( 0.4310345 0.4310345 0.6379310), wk = 0.0031746 k( 285) = ( 0.4267241 0.4267241 0.6465517), wk = 0.0031746 k( 286) = ( 0.4224138 0.4224138 0.6551724), wk = 0.0031746 k( 287) = ( 0.4181034 0.4181035 0.6637931), wk = 0.0031746 k( 288) = ( 0.4137931 0.4137931 0.6724138), wk = 0.0031746 k( 289) = ( 0.4094828 0.4094828 0.6810345), wk = 0.0031746 k( 290) = ( 0.4051724 0.4051724 0.6896552), wk = 0.0031746 k( 291) = ( 0.4008621 0.4008621 0.6982759), wk = 0.0031746 k( 292) = ( 0.3965517 0.3965517 0.7068966), wk = 0.0031746 k( 293) = ( 0.3922414 0.3922414 0.7155172), wk = 0.0031746 k( 294) = ( 0.3879310 0.3879310 0.7241379), wk = 0.0031746 k( 295) = ( 0.3836207 0.3836207 0.7327586), wk = 0.0031746 k( 296) = ( 0.3793103 0.3793103 0.7413793), wk = 0.0031746 k( 297) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031746 k( 298) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031746 k( 299) = ( 0.6176471 0.2352941 0.6176471), wk = 0.0031746 k( 300) = ( 0.6102941 0.2205882 0.6102941), wk = 0.0031746 k( 301) = ( 0.6029412 0.2058824 0.6029412), wk = 0.0031746 k( 302) = ( 0.5955882 0.1911765 0.5955882), wk = 0.0031746 k( 303) = ( 0.5882353 0.1764706 0.5882353), wk = 0.0031746 k( 304) = ( 0.5808823 0.1617647 0.5808824), wk = 0.0031746 k( 305) = ( 0.5735294 0.1470588 0.5735294), wk = 0.0031746 k( 306) = ( 0.5661765 0.1323529 0.5661765), wk = 0.0031746 k( 307) = ( 0.5588235 0.1176471 0.5588235), wk = 0.0031746 k( 308) = ( 0.5514706 0.1029412 0.5514706), wk = 0.0031746 k( 309) = ( 0.5441177 0.0882353 0.5441177), wk = 0.0031746 k( 310) = ( 0.5367647 0.0735294 0.5367647), wk = 0.0031746 k( 311) = ( 0.5294118 0.0588235 0.5294118), wk = 0.0031746 k( 312) = ( 0.5220588 0.0441177 0.5220588), wk = 0.0031746 k( 313) = ( 0.5147059 0.0294118 0.5147059), wk = 0.0031746 k( 314) = ( 0.5073529 0.0147059 0.5073529), wk = 0.0031746 k( 315) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031746 Dense grid: 137675 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 71297 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.30 Mb ( 498, 40) NL pseudopotentials 0.36 Mb ( 249, 96) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.03 Mb ( 3825) G-vector shells 0.01 Mb ( 778) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.22 Mb ( 498, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.12 Mb ( 96, 2, 40) The potential is recalculated from file : ./Li2CdSn.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.5 secs Computing kpt #: 2 total cpu time spent up to now is 5.1 secs Computing kpt #: 3 total cpu time spent up to now is 5.7 secs Computing kpt #: 4 total cpu time spent up to now is 6.2 secs Computing kpt #: 5 total cpu time spent up to now is 6.8 secs Computing kpt #: 6 total cpu time spent up to now is 7.4 secs Computing kpt #: 7 total cpu time spent up to now is 8.0 secs Computing kpt #: 8 total cpu time spent up to now is 8.6 secs Computing kpt #: 9 total cpu time spent up to now is 9.1 secs Computing kpt #: 10 total cpu time spent up to now is 9.7 secs Computing kpt #: 11 total cpu time spent up to now is 10.3 secs Computing kpt #: 12 total cpu time spent up to now is 10.8 secs Computing kpt #: 13 total cpu time spent up to now is 11.4 secs Computing kpt #: 14 total cpu time spent up to now is 12.0 secs Computing kpt #: 15 total cpu time spent up to now is 12.6 secs Computing kpt #: 16 total cpu time spent up to now is 13.1 secs Computing kpt #: 17 total cpu time spent up to now is 13.7 secs Computing kpt #: 18 total cpu time spent up to now is 14.2 secs Computing kpt #: 19 total cpu time spent up to now is 14.8 secs Computing kpt #: 20 total cpu time spent up to now is 15.3 secs Computing kpt #: 21 total cpu time spent up to now is 15.9 secs Computing kpt #: 22 total cpu time spent up to now is 16.4 secs Computing kpt #: 23 total cpu time spent up to now is 16.9 secs Computing kpt #: 24 total cpu time spent up to now is 17.5 secs Computing kpt #: 25 total cpu time spent up to now is 18.2 secs Computing kpt #: 26 total cpu time spent up to now is 18.8 secs Computing kpt #: 27 total cpu time spent up to now is 19.4 secs Computing kpt #: 28 total cpu time spent up to now is 20.1 secs Computing kpt #: 29 total cpu time spent up to now is 20.7 secs Computing kpt #: 30 total cpu time spent up to now is 21.3 secs Computing kpt #: 31 total cpu time spent up to now is 21.8 secs Computing kpt #: 32 total cpu time spent up to now is 22.3 secs Computing kpt #: 33 total cpu time spent up to now is 22.8 secs Computing kpt #: 34 total cpu time spent up to now is 23.3 secs Computing kpt #: 35 total cpu time spent up to now is 23.8 secs Computing kpt #: 36 total cpu time spent up to now is 24.3 secs Computing kpt #: 37 total cpu time spent up to now is 24.8 secs Computing kpt #: 38 total cpu time spent up to now is 25.3 secs Computing kpt #: 39 total cpu time spent up to now is 25.8 secs Computing kpt #: 40 total cpu time spent up to now is 26.3 secs Computing kpt #: 41 total cpu time spent up to now is 26.8 secs Computing kpt #: 42 total cpu time spent up to now is 27.2 secs Computing kpt #: 43 total cpu time spent up to now is 27.7 secs Computing kpt #: 44 total cpu time spent up to now is 28.2 secs Computing kpt #: 45 total cpu time spent up to now is 28.7 secs Computing kpt #: 46 total cpu time spent up to now is 29.2 secs Computing kpt #: 47 total cpu time spent up to now is 29.7 secs Computing kpt #: 48 total cpu time spent up to now is 30.2 secs Computing kpt #: 49 total cpu time spent up to now is 30.6 secs Computing kpt #: 50 total cpu time spent up to now is 31.1 secs Computing kpt #: 51 total cpu time spent up to now is 31.6 secs Computing kpt #: 52 total cpu time spent up to now is 32.1 secs Computing kpt #: 53 total cpu time spent up to now is 32.5 secs Computing kpt #: 54 total cpu time spent up to now is 33.0 secs Computing kpt #: 55 total cpu time spent up to now is 33.5 secs Computing kpt #: 56 total cpu time spent up to now is 34.0 secs Computing kpt #: 57 total cpu time spent up to now is 34.6 secs Computing kpt #: 58 total cpu time spent up to now is 35.2 secs Computing kpt #: 59 total cpu time spent up to now is 35.9 secs Computing kpt #: 60 total cpu time spent up to now is 36.6 secs Computing kpt #: 61 total cpu time spent up to now is 37.2 secs Computing kpt #: 62 total cpu time spent up to now is 37.8 secs Computing kpt #: 63 total cpu time spent up to now is 38.4 secs Computing kpt #: 64 total cpu time spent up to now is 39.0 secs Computing kpt #: 65 total cpu time spent up to now is 39.6 secs Computing kpt #: 66 total cpu time spent up to now is 40.0 secs Computing kpt #: 67 total cpu time spent up to now is 40.5 secs Computing kpt #: 68 total cpu time spent up to now is 41.0 secs Computing kpt #: 69 total cpu time spent up to now is 41.5 secs Computing kpt #: 70 total cpu time spent up to now is 42.0 secs Computing kpt #: 71 total cpu time spent up to now is 42.5 secs Computing kpt #: 72 total cpu time spent up to now is 43.0 secs Computing kpt #: 73 total cpu time spent up to now is 43.4 secs Computing kpt #: 74 total cpu time spent up to now is 43.9 secs Computing kpt #: 75 total cpu time spent up to now is 44.4 secs Computing kpt #: 76 total cpu time spent up to now is 44.9 secs Computing kpt #: 77 total cpu time spent up to now is 45.4 secs Computing kpt #: 78 total cpu time spent up to now is 45.8 secs Computing kpt #: 79 total cpu time spent up to now is 46.3 secs Computing kpt #: 80 total cpu time spent up to now is 46.9 secs Computing kpt #: 81 total cpu time spent up to now is 47.4 secs Computing kpt #: 82 total cpu time spent up to now is 47.9 secs Computing kpt #: 83 total cpu time spent up to now is 48.4 secs Computing kpt #: 84 total cpu time spent up to now is 49.0 secs Computing kpt #: 85 total cpu time spent up to now is 49.7 secs Computing kpt #: 86 total cpu time spent up to now is 50.3 secs Computing kpt #: 87 total cpu time spent up to now is 50.8 secs Computing kpt #: 88 total cpu time spent up to now is 51.3 secs Computing kpt #: 89 total cpu time spent up to now is 51.8 secs Computing kpt #: 90 total cpu time spent up to now is 52.3 secs Computing kpt #: 91 total cpu time spent up to now is 52.8 secs Computing kpt #: 92 total cpu time spent up to now is 53.2 secs Computing kpt #: 93 total cpu time spent up to now is 53.7 secs Computing kpt #: 94 total cpu time spent up to now is 54.2 secs Computing kpt #: 95 total cpu time spent up to now is 54.8 secs Computing kpt #: 96 total cpu time spent up to now is 55.4 secs Computing kpt #: 97 total cpu time spent up to now is 55.9 secs Computing kpt #: 98 total cpu time spent up to now is 56.4 secs Computing kpt #: 99 total cpu time spent up to now is 57.0 secs Computing kpt #: 100 total cpu time spent up to now is 57.7 secs Computing kpt #: 101 total cpu time spent up to now is 58.3 secs Computing kpt #: 102 total cpu time spent up to now is 58.9 secs Computing kpt #: 103 total cpu time spent up to now is 59.6 secs Computing kpt #: 104 total cpu time spent up to now is 60.2 secs Computing kpt #: 105 total cpu time spent up to now is 60.8 secs Computing kpt #: 106 total cpu time spent up to now is 61.4 secs Computing kpt #: 107 total cpu time spent up to now is 62.0 secs Computing kpt #: 108 total cpu time spent up to now is 62.6 secs Computing kpt #: 109 total cpu time spent up to now is 63.2 secs Computing kpt #: 110 total cpu time spent up to now is 63.8 secs Computing kpt #: 111 total cpu time spent up to now is 64.4 secs Computing kpt #: 112 total cpu time spent up to now is 65.1 secs Computing kpt #: 113 total cpu time spent up to now is 65.7 secs Computing kpt #: 114 total cpu time spent up to now is 66.3 secs Computing kpt #: 115 total cpu time spent up to now is 66.9 secs Computing kpt #: 116 total cpu time spent up to now is 67.5 secs Computing kpt #: 117 total cpu time spent up to now is 68.1 secs Computing kpt #: 118 total cpu time spent up to now is 68.7 secs Computing kpt #: 119 total cpu time spent up to now is 69.3 secs Computing kpt #: 120 total cpu time spent up to now is 70.0 secs Computing kpt #: 121 total cpu time spent up to now is 70.6 secs Computing kpt #: 122 total cpu time spent up to now is 71.1 secs Computing kpt #: 123 total cpu time spent up to now is 71.7 secs Computing kpt #: 124 total cpu time spent up to now is 72.3 secs Computing kpt #: 125 total cpu time spent up to now is 72.8 secs Computing kpt #: 126 total cpu time spent up to now is 73.4 secs Computing kpt #: 127 total cpu time spent up to now is 74.0 secs Computing kpt #: 128 total cpu time spent up to now is 74.5 secs Computing kpt #: 129 total cpu time spent up to now is 75.1 secs Computing kpt #: 130 total cpu time spent up to now is 75.6 secs Computing kpt #: 131 total cpu time spent up to now is 76.2 secs Computing kpt #: 132 total cpu time spent up to now is 76.8 secs Computing kpt #: 133 total cpu time spent up to now is 77.4 secs Computing kpt #: 134 total cpu time spent up to now is 77.9 secs Computing kpt #: 135 total cpu time spent up to now is 78.5 secs Computing kpt #: 136 total cpu time spent up to now is 79.1 secs Computing kpt #: 137 total cpu time spent up to now is 79.7 secs Computing kpt #: 138 total cpu time spent up to now is 80.3 secs Computing kpt #: 139 total cpu time spent up to now is 80.9 secs Computing kpt #: 140 total cpu time spent up to now is 81.5 secs Computing kpt #: 141 total cpu time spent up to now is 82.3 secs Computing kpt #: 142 total cpu time spent up to now is 83.1 secs Computing kpt #: 143 total cpu time spent up to now is 83.7 secs Computing kpt #: 144 total cpu time spent up to now is 84.3 secs Computing kpt #: 145 total cpu time spent up to now is 84.9 secs Computing kpt #: 146 total cpu time spent up to now is 85.4 secs Computing kpt #: 147 total cpu time spent up to now is 86.0 secs Computing kpt #: 148 total cpu time spent up to now is 86.6 secs Computing kpt #: 149 total cpu time spent up to now is 87.1 secs Computing kpt #: 150 total cpu time spent up to now is 87.7 secs Computing kpt #: 151 total cpu time spent up to now is 88.3 secs Computing kpt #: 152 total cpu time spent up to now is 88.8 secs Computing kpt #: 153 total cpu time spent up to now is 89.4 secs Computing kpt #: 154 total cpu time spent up to now is 89.9 secs Computing kpt #: 155 total cpu time spent up to now is 90.5 secs Computing kpt #: 156 total cpu time spent up to now is 91.0 secs Computing kpt #: 157 total cpu time spent up to now is 91.5 secs Computing kpt #: 158 total cpu time spent up to now is 92.1 secs Computing kpt #: 159 total cpu time spent up to now is 92.6 secs Computing kpt #: 160 total cpu time spent up to now is 93.1 secs Computing kpt #: 161 total cpu time spent up to now is 93.6 secs Computing kpt #: 162 total cpu time spent up to now is 94.1 secs Computing kpt #: 163 total cpu time spent up to now is 94.6 secs Computing kpt #: 164 total cpu time spent up to now is 95.1 secs Computing kpt #: 165 total cpu time spent up to now is 95.6 secs Computing kpt #: 166 total cpu time spent up to now is 96.1 secs Computing kpt #: 167 total cpu time spent up to now is 96.6 secs Computing kpt #: 168 total cpu time spent up to now is 97.0 secs Computing kpt #: 169 total cpu time spent up to now is 97.5 secs Computing kpt #: 170 total cpu time spent up to now is 98.0 secs Computing kpt #: 171 total cpu time spent up to now is 98.5 secs Computing kpt #: 172 total cpu time spent up to now is 98.9 secs Computing kpt #: 173 total cpu time spent up to now is 99.4 secs Computing kpt #: 174 total cpu time spent up to now is 99.9 secs Computing kpt #: 175 total cpu time spent up to now is 100.3 secs Computing kpt #: 176 total cpu time spent up to now is 100.8 secs Computing kpt #: 177 total cpu time spent up to now is 101.3 secs Computing kpt #: 178 total cpu time spent up to now is 101.7 secs Computing kpt #: 179 total cpu time spent up to now is 102.2 secs Computing kpt #: 180 total cpu time spent up to now is 102.6 secs Computing kpt #: 181 total cpu time spent up to now is 103.1 secs Computing kpt #: 182 total cpu time spent up to now is 103.5 secs Computing kpt #: 183 total cpu time spent up to now is 104.0 secs Computing kpt #: 184 total cpu time spent up to now is 104.4 secs Computing kpt #: 185 total cpu time spent up to now is 104.9 secs Computing kpt #: 186 total cpu time spent up to now is 105.3 secs Computing kpt #: 187 total cpu time spent up to now is 105.8 secs Computing kpt #: 188 total cpu time spent up to now is 106.3 secs Computing kpt #: 189 total cpu time spent up to now is 106.7 secs Computing kpt #: 190 total cpu time spent up to now is 107.2 secs Computing kpt #: 191 total cpu time spent up to now is 107.7 secs Computing kpt #: 192 total cpu time spent up to now is 108.1 secs Computing kpt #: 193 total cpu time spent up to now is 108.6 secs Computing kpt #: 194 total cpu time spent up to now is 109.1 secs Computing kpt #: 195 total cpu time spent up to now is 109.6 secs Computing kpt #: 196 total cpu time spent up to now is 110.1 secs Computing kpt #: 197 total cpu time spent up to now is 110.6 secs Computing kpt #: 198 total cpu time spent up to now is 111.1 secs Computing kpt #: 199 total cpu time spent up to now is 111.6 secs Computing kpt #: 200 total cpu time spent up to now is 112.1 secs Computing kpt #: 201 total cpu time spent up to now is 112.7 secs Computing kpt #: 202 total cpu time spent up to now is 113.2 secs Computing kpt #: 203 total cpu time spent up to now is 113.7 secs Computing kpt #: 204 total cpu time spent up to now is 114.3 secs Computing kpt #: 205 total cpu time spent up to now is 114.8 secs Computing kpt #: 206 total cpu time spent up to now is 115.3 secs Computing kpt #: 207 total cpu time spent up to now is 115.9 secs Computing kpt #: 208 total cpu time spent up to now is 116.4 secs Computing kpt #: 209 total cpu time spent up to now is 116.9 secs Computing kpt #: 210 total cpu time spent up to now is 117.4 secs Computing kpt #: 211 total cpu time spent up to now is 117.9 secs Computing kpt #: 212 total cpu time spent up to now is 118.4 secs Computing kpt #: 213 total cpu time spent up to now is 118.9 secs Computing kpt #: 214 total cpu time spent up to now is 119.4 secs Computing kpt #: 215 total cpu time spent up to now is 119.9 secs Computing kpt #: 216 total cpu time spent up to now is 120.4 secs Computing kpt #: 217 total cpu time spent up to now is 120.9 secs Computing kpt #: 218 total cpu time spent up to now is 121.4 secs Computing kpt #: 219 total cpu time spent up to now is 121.9 secs Computing kpt #: 220 total cpu time spent up to now is 122.5 secs Computing kpt #: 221 total cpu time spent up to now is 123.1 secs Computing kpt #: 222 total cpu time spent up to now is 123.7 secs Computing kpt #: 223 total cpu time spent up to now is 124.3 secs Computing kpt #: 224 total cpu time spent up to now is 124.8 secs Computing kpt #: 225 total cpu time spent up to now is 125.3 secs Computing kpt #: 226 total cpu time spent up to now is 125.8 secs Computing kpt #: 227 total cpu time spent up to now is 126.3 secs Computing kpt #: 228 total cpu time spent up to now is 126.8 secs Computing kpt #: 229 total cpu time spent up to now is 127.3 secs Computing kpt #: 230 total cpu time spent up to now is 127.8 secs Computing kpt #: 231 total cpu time spent up to now is 128.2 secs Computing kpt #: 232 total cpu time spent up to now is 128.7 secs Computing kpt #: 233 total cpu time spent up to now is 129.2 secs Computing kpt #: 234 total cpu time spent up to now is 129.7 secs Computing kpt #: 235 total cpu time spent up to now is 130.2 secs Computing kpt #: 236 total cpu time spent up to now is 130.7 secs Computing kpt #: 237 total cpu time spent up to now is 131.2 secs Computing kpt #: 238 total cpu time spent up to now is 131.7 secs Computing kpt #: 239 total cpu time spent up to now is 132.2 secs Computing kpt #: 240 total cpu time spent up to now is 132.7 secs Computing kpt #: 241 total cpu time spent up to now is 133.2 secs Computing kpt #: 242 total cpu time spent up to now is 133.7 secs Computing kpt #: 243 total cpu time spent up to now is 134.3 secs Computing kpt #: 244 total cpu time spent up to now is 134.9 secs Computing kpt #: 245 total cpu time spent up to now is 135.5 secs Computing kpt #: 246 total cpu time spent up to now is 136.2 secs Computing kpt #: 247 total cpu time spent up to now is 136.7 secs Computing kpt #: 248 total cpu time spent up to now is 137.3 secs Computing kpt #: 249 total cpu time spent up to now is 137.8 secs Computing kpt #: 250 total cpu time spent up to now is 138.3 secs Computing kpt #: 251 total cpu time spent up to now is 138.8 secs Computing kpt #: 252 total cpu time spent up to now is 139.4 secs Computing kpt #: 253 total cpu time spent up to now is 139.9 secs Computing kpt #: 254 total cpu time spent up to now is 140.4 secs Computing kpt #: 255 total cpu time spent up to now is 140.9 secs Computing kpt #: 256 total cpu time spent up to now is 141.4 secs Computing kpt #: 257 total cpu time spent up to now is 141.9 secs Computing kpt #: 258 total cpu time spent up to now is 142.3 secs Computing kpt #: 259 total cpu time spent up to now is 142.8 secs Computing kpt #: 260 total cpu time spent up to now is 143.3 secs Computing kpt #: 261 total cpu time spent up to now is 143.7 secs Computing kpt #: 262 total cpu time spent up to now is 144.2 secs Computing kpt #: 263 total cpu time spent up to now is 144.7 secs Computing kpt #: 264 total cpu time spent up to now is 145.1 secs Computing kpt #: 265 total cpu time spent up to now is 145.6 secs Computing kpt #: 266 total cpu time spent up to now is 146.0 secs Computing kpt #: 267 total cpu time spent up to now is 146.6 secs Computing kpt #: 268 total cpu time spent up to now is 147.0 secs Computing kpt #: 269 total cpu time spent up to now is 147.5 secs Computing kpt #: 270 total cpu time spent up to now is 147.9 secs Computing kpt #: 271 total cpu time spent up to now is 148.4 secs Computing kpt #: 272 total cpu time spent up to now is 148.9 secs Computing kpt #: 273 total cpu time spent up to now is 149.3 secs Computing kpt #: 274 total cpu time spent up to now is 149.8 secs Computing kpt #: 275 total cpu time spent up to now is 150.3 secs Computing kpt #: 276 total cpu time spent up to now is 150.7 secs Computing kpt #: 277 total cpu time spent up to now is 151.2 secs Computing kpt #: 278 total cpu time spent up to now is 151.7 secs Computing kpt #: 279 total cpu time spent up to now is 152.2 secs Computing kpt #: 280 total cpu time spent up to now is 152.7 secs Computing kpt #: 281 total cpu time spent up to now is 153.3 secs Computing kpt #: 282 total cpu time spent up to now is 153.8 secs Computing kpt #: 283 total cpu time spent up to now is 154.3 secs Computing kpt #: 284 total cpu time spent up to now is 154.8 secs Computing kpt #: 285 total cpu time spent up to now is 155.4 secs Computing kpt #: 286 total cpu time spent up to now is 155.9 secs Computing kpt #: 287 total cpu time spent up to now is 156.4 secs Computing kpt #: 288 total cpu time spent up to now is 157.0 secs Computing kpt #: 289 total cpu time spent up to now is 157.5 secs Computing kpt #: 290 total cpu time spent up to now is 158.1 secs Computing kpt #: 291 total cpu time spent up to now is 158.6 secs Computing kpt #: 292 total cpu time spent up to now is 159.1 secs Computing kpt #: 293 total cpu time spent up to now is 159.6 secs Computing kpt #: 294 total cpu time spent up to now is 160.1 secs Computing kpt #: 295 total cpu time spent up to now is 160.6 secs Computing kpt #: 296 total cpu time spent up to now is 161.1 secs Computing kpt #: 297 total cpu time spent up to now is 161.6 secs Computing kpt #: 298 total cpu time spent up to now is 162.1 secs Computing kpt #: 299 total cpu time spent up to now is 162.6 secs Computing kpt #: 300 total cpu time spent up to now is 163.1 secs Computing kpt #: 301 total cpu time spent up to now is 163.5 secs Computing kpt #: 302 total cpu time spent up to now is 164.0 secs Computing kpt #: 303 total cpu time spent up to now is 164.5 secs Computing kpt #: 304 total cpu time spent up to now is 165.0 secs Computing kpt #: 305 total cpu time spent up to now is 165.4 secs Computing kpt #: 306 total cpu time spent up to now is 165.9 secs Computing kpt #: 307 total cpu time spent up to now is 166.4 secs Computing kpt #: 308 total cpu time spent up to now is 166.9 secs Computing kpt #: 309 total cpu time spent up to now is 167.4 secs Computing kpt #: 310 total cpu time spent up to now is 167.8 secs Computing kpt #: 311 total cpu time spent up to now is 168.3 secs Computing kpt #: 312 total cpu time spent up to now is 168.8 secs Computing kpt #: 313 total cpu time spent up to now is 169.2 secs Computing kpt #: 314 total cpu time spent up to now is 169.7 secs Computing kpt #: 315 total cpu time spent up to now is 170.2 secs ethr = 3.13E-08, avg # of iterations = 17.5 total cpu time spent up to now is 170.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8873 PWs) bands (ev): -38.1953 -38.1953 -38.1881 -38.1881 -13.5409 -13.5409 -13.5409 -13.5409 -12.5130 -12.5130 -12.5016 -12.5016 -12.5016 -12.5016 -1.0441 -1.0441 -1.0441 -1.0441 -0.6837 -0.6837 -0.3886 -0.3886 -0.3421 -0.3421 -0.3421 -0.3421 8.1140 8.1140 8.1551 8.1551 8.6620 8.6620 8.6620 8.6620 11.1957 11.1957 11.1957 11.1957 11.2542 11.2542 k = 0.0106-0.0061 0.0087 ( 8873 PWs) bands (ev): -38.1953 -38.1953 -38.1881 -38.1881 -13.5409 -13.5409 -13.5409 -13.5409 -12.5130 -12.5130 -12.5016 -12.5016 -12.5016 -12.5016 -1.0441 -1.0441 -1.0441 -1.0441 -0.6825 -0.6825 -0.3885 -0.3885 -0.3422 -0.3422 -0.3421 -0.3421 8.0393 8.0393 8.1986 8.1986 8.6552 8.6552 8.6902 8.6902 11.1979 11.1979 11.2012 11.2012 11.2590 11.2590 k = 0.0213-0.0123 0.0174 ( 8853 PWs) bands (ev): -38.1953 -38.1953 -38.1881 -38.1881 -13.5409 -13.5409 -13.5409 -13.5409 -12.5130 -12.5130 -12.5016 -12.5016 -12.5016 -12.5016 -1.0441 -1.0441 -1.0440 -1.0440 -0.6788 -0.6788 -0.3884 -0.3884 -0.3425 -0.3425 -0.3420 -0.3420 7.9294 7.9294 8.2222 8.2222 8.6351 8.6351 8.7678 8.7678 11.2027 11.2027 11.2175 11.2175 11.2749 11.2749 k = 0.0319-0.0184 0.0261 ( 8877 PWs) bands (ev): -38.1953 -38.1953 -38.1882 -38.1882 -13.5409 -13.5409 -13.5408 -13.5408 -12.5130 -12.5130 -12.5016 -12.5016 -12.5015 -12.5015 -1.0442 -1.0442 -1.0439 -1.0439 -0.6727 -0.6727 -0.3881 -0.3881 -0.3429 -0.3429 -0.3419 -0.3419 7.8097 7.8097 8.2165 8.2165 8.6025 8.6025 8.8787 8.8787 11.2069 11.2069 11.2437 11.2437 11.3042 11.3042 k = 0.0426-0.0246 0.0347 ( 8909 PWs) bands (ev): -38.1953 -38.1953 -38.1882 -38.1882 -13.5408 -13.5408 -13.5408 -13.5408 -12.5130 -12.5130 -12.5015 -12.5015 -12.5015 -12.5015 -1.0443 -1.0443 -1.0437 -1.0437 -0.6642 -0.6642 -0.3878 -0.3878 -0.3434 -0.3434 -0.3417 -0.3417 7.6864 7.6864 8.1902 8.1902 8.5585 8.5585 9.0089 9.0089 11.2095 11.2095 11.2787 11.2787 11.3464 11.3464 k = 0.0532-0.0307 0.0434 ( 8925 PWs) bands (ev): -38.1953 -38.1953 -38.1882 -38.1882 -13.5408 -13.5408 -13.5408 -13.5408 -12.5129 -12.5129 -12.5015 -12.5015 -12.5015 -12.5015 -1.0445 -1.0445 -1.0435 -1.0435 -0.6534 -0.6534 -0.3874 -0.3874 -0.3438 -0.3438 -0.3414 -0.3414 7.5625 7.5625 8.1493 8.1493 8.5045 8.5045 9.1493 9.1493 11.2110 11.2110 11.3209 11.3209 11.3994 11.3994 k = 0.0638-0.0369 0.0521 ( 8925 PWs) bands (ev): -38.1952 -38.1952 -38.1883 -38.1883 -13.5408 -13.5408 -13.5407 -13.5407 -12.5128 -12.5128 -12.5015 -12.5015 -12.5015 -12.5015 -1.0448 -1.0448 -1.0433 -1.0433 -0.6403 -0.6403 -0.3869 -0.3869 -0.3441 -0.3441 -0.3411 -0.3411 7.4396 7.4396 8.0976 8.0976 8.4420 8.4420 9.2949 9.2949 11.2117 11.2117 11.3678 11.3678 11.4609 11.4609 k = 0.0745-0.0430 0.0608 ( 8941 PWs) bands (ev): -38.1952 -38.1952 -38.1883 -38.1883 -13.5408 -13.5408 -13.5407 -13.5407 -12.5128 -12.5128 -12.5014 -12.5014 -12.5014 -12.5014 -1.0453 -1.0453 -1.0430 -1.0430 -0.6251 -0.6251 -0.3863 -0.3863 -0.3441 -0.3441 -0.3407 -0.3407 7.3186 7.3186 8.0375 8.0375 8.3724 8.3724 9.4416 9.4416 11.2121 11.2121 11.4145 11.4145 11.5289 11.5289 k = 0.0851-0.0491 0.0695 ( 8937 PWs) bands (ev): -38.1952 -38.1952 -38.1883 -38.1883 -13.5407 -13.5407 -13.5406 -13.5406 -12.5127 -12.5127 -12.5014 -12.5014 -12.5014 -12.5014 -1.0459 -1.0459 -1.0427 -1.0427 -0.6082 -0.6082 -0.3856 -0.3856 -0.3434 -0.3434 -0.3402 -0.3402 7.2000 7.2000 7.9708 7.9708 8.2971 8.2971 9.5851 9.5851 11.2122 11.2122 11.4286 11.4286 11.5547 11.5547 k = 0.0957-0.0553 0.0782 ( 8937 PWs) bands (ev): -38.1951 -38.1951 -38.1884 -38.1884 -13.5407 -13.5407 -13.5406 -13.5406 -12.5126 -12.5126 -12.5013 -12.5013 -12.5013 -12.5013 -1.0466 -1.0466 -1.0424 -1.0424 -0.5897 -0.5897 -0.3848 -0.3848 -0.3417 -0.3417 -0.3397 -0.3397 7.0842 7.0842 7.8988 7.8988 8.2174 8.2174 9.7193 9.7193 11.2121 11.2121 11.3338 11.3338 11.5702 11.5702 k = 0.1064-0.0614 0.0869 ( 8957 PWs) bands (ev): -38.1951 -38.1951 -38.1884 -38.1884 -13.5407 -13.5407 -13.5405 -13.5405 -12.5125 -12.5125 -12.5013 -12.5013 -12.5013 -12.5013 -1.0476 -1.0476 -1.0420 -1.0420 -0.5703 -0.5703 -0.3840 -0.3840 -0.3391 -0.3391 -0.3385 -0.3385 6.9714 6.9714 7.8228 7.8228 8.1343 8.1343 9.8343 9.8343 11.2119 11.2119 11.2181 11.2181 11.6250 11.6250 k = 0.1170-0.0676 0.0955 ( 8949 PWs) bands (ev): -38.1950 -38.1950 -38.1885 -38.1885 -13.5406 -13.5406 -13.5404 -13.5404 -12.5124 -12.5124 -12.5012 -12.5012 -12.5012 -12.5012 -1.0488 -1.0488 -1.0415 -1.0415 -0.5507 -0.5507 -0.3830 -0.3830 -0.3385 -0.3385 -0.3328 -0.3328 6.8618 6.8618 7.7437 7.7437 8.0486 8.0486 9.9146 9.9146 11.1307 11.1307 11.2116 11.2116 11.6865 11.6865 k = 0.1277-0.0737 0.1042 ( 8949 PWs) bands (ev): -38.1950 -38.1950 -38.1885 -38.1885 -13.5405 -13.5405 -13.5403 -13.5403 -12.5123 -12.5123 -12.5011 -12.5011 -12.5011 -12.5011 -1.0503 -1.0503 -1.0411 -1.0411 -0.5319 -0.5319 -0.3820 -0.3820 -0.3378 -0.3378 -0.3238 -0.3238 6.7553 6.7553 7.6624 7.6624 7.9613 7.9613 9.9405 9.9405 11.0964 11.0964 11.2112 11.2112 11.7509 11.7509 k = 0.1383-0.0798 0.1129 ( 8933 PWs) bands (ev): -38.1949 -38.1949 -38.1886 -38.1886 -13.5405 -13.5405 -13.5402 -13.5402 -12.5121 -12.5121 -12.5011 -12.5011 -12.5010 -12.5010 -1.0520 -1.0520 -1.0406 -1.0406 -0.5152 -0.5152 -0.3809 -0.3809 -0.3370 -0.3370 -0.3101 -0.3101 6.6522 6.6522 7.5796 7.5796 7.8729 7.8729 9.9011 9.9011 11.1282 11.1282 11.2108 11.2108 11.8171 11.8171 k = 0.1489-0.0860 0.1216 ( 8933 PWs) bands (ev): -38.1948 -38.1948 -38.1886 -38.1886 -13.5404 -13.5404 -13.5401 -13.5401 -12.5120 -12.5120 -12.5010 -12.5010 -12.5010 -12.5010 -1.0539 -1.0539 -1.0400 -1.0400 -0.5014 -0.5014 -0.3798 -0.3798 -0.3362 -0.3362 -0.2909 -0.2909 6.5523 6.5523 7.4958 7.4958 7.7840 7.7840 9.8044 9.8044 11.2104 11.2104 11.2191 11.2191 11.8849 11.8849 k = 0.1596-0.0921 0.1303 ( 8933 PWs) bands (ev): -38.1948 -38.1948 -38.1887 -38.1887 -13.5403 -13.5403 -13.5400 -13.5400 -12.5118 -12.5118 -12.5009 -12.5009 -12.5009 -12.5009 -1.0562 -1.0562 -1.0395 -1.0395 -0.4911 -0.4911 -0.3786 -0.3786 -0.3353 -0.3353 -0.2654 -0.2654 6.4557 6.4557 7.4116 7.4116 7.6952 7.6952 9.6684 9.6684 11.2099 11.2099 11.3515 11.3515 11.9545 11.9545 k = 0.1702-0.0983 0.1390 ( 8937 PWs) bands (ev): -38.1947 -38.1947 -38.1888 -38.1888 -13.5403 -13.5403 -13.5399 -13.5399 -12.5117 -12.5117 -12.5009 -12.5009 -12.5008 -12.5008 -1.0586 -1.0586 -1.0389 -1.0389 -0.4844 -0.4844 -0.3773 -0.3773 -0.3343 -0.3343 -0.2338 -0.2338 6.3624 6.3624 7.3275 7.3275 7.6067 7.6067 9.5089 9.5089 11.2094 11.2094 11.5104 11.5104 12.0261 12.0261 k = 0.1809-0.1044 0.1477 ( 8949 PWs) bands (ev): -38.1946 -38.1946 -38.1889 -38.1889 -13.5402 -13.5402 -13.5398 -13.5398 -12.5115 -12.5115 -12.5008 -12.5008 -12.5007 -12.5007 -1.0614 -1.0614 -1.0382 -1.0382 -0.4805 -0.4805 -0.3760 -0.3760 -0.3333 -0.3333 -0.1967 -0.1967 6.2723 6.2723 7.2438 7.2438 7.5191 7.5191 9.3358 9.3358 11.2089 11.2089 11.6860 11.6860 12.1001 12.1001 k = 0.1915-0.1106 0.1564 ( 8953 PWs) bands (ev): -38.1945 -38.1945 -38.1889 -38.1889 -13.5401 -13.5401 -13.5397 -13.5397 -12.5114 -12.5114 -12.5007 -12.5007 -12.5006 -12.5006 -1.0645 -1.0645 -1.0376 -1.0376 -0.4789 -0.4789 -0.3747 -0.3747 -0.3322 -0.3322 -0.1546 -0.1546 6.1855 6.1855 7.1609 7.1609 7.4325 7.4325 9.1547 9.1547 11.2083 11.2083 11.8719 11.8719 12.1775 12.1775 k = 0.2021-0.1167 0.1650 ( 8961 PWs) bands (ev): -38.1945 -38.1945 -38.1890 -38.1890 -13.5401 -13.5401 -13.5396 -13.5396 -12.5112 -12.5112 -12.5007 -12.5007 -12.5005 -12.5005 -1.0678 -1.0678 -1.0369 -1.0369 -0.4789 -0.4789 -0.3733 -0.3733 -0.3310 -0.3310 -0.1083 -0.1083 6.1017 6.1017 7.0791 7.0791 7.3473 7.3473 8.9694 8.9694 11.2078 11.2078 12.0624 12.0624 12.2610 12.2610 k = 0.2128-0.1228 0.1737 ( 8952 PWs) bands (ev): -38.1944 -38.1944 -38.1891 -38.1891 -13.5400 -13.5400 -13.5395 -13.5395 -12.5111 -12.5111 -12.5006 -12.5006 -12.5004 -12.5004 -1.0713 -1.0713 -1.0362 -1.0362 -0.4801 -0.4801 -0.3720 -0.3720 -0.3297 -0.3297 -0.0582 -0.0582 6.0210 6.0210 6.9985 6.9985 7.2637 7.2637 8.7820 8.7820 11.2073 11.2073 12.2426 12.2426 12.3634 12.3634 k = 0.2234-0.1290 0.1824 ( 8952 PWs) bands (ev): -38.1943 -38.1943 -38.1892 -38.1892 -13.5399 -13.5399 -13.5394 -13.5394 -12.5109 -12.5109 -12.5006 -12.5006 -12.5002 -12.5002 -1.0751 -1.0751 -1.0355 -1.0355 -0.4821 -0.4821 -0.3706 -0.3706 -0.3284 -0.3284 -0.0048 -0.0048 5.9434 5.9434 6.9196 6.9196 7.1818 7.1818 8.5940 8.5940 11.2068 11.2068 12.3743 12.3743 12.5218 12.5218 k = 0.2340-0.1351 0.1911 ( 8952 PWs) bands (ev): -38.1942 -38.1942 -38.1892 -38.1892 -13.5398 -13.5398 -13.5393 -13.5393 -12.5107 -12.5107 -12.5005 -12.5005 -12.5001 -12.5001 -1.0791 -1.0791 -1.0348 -1.0348 -0.4846 -0.4846 -0.3692 -0.3692 -0.3270 -0.3270 0.0518 0.0518 5.8686 5.8686 6.8423 6.8423 7.1020 7.1020 8.4066 8.4066 11.2062 11.2062 12.4712 12.4712 12.7215 12.7215 k = 0.2447-0.1413 0.1998 ( 8964 PWs) bands (ev): -38.1941 -38.1941 -38.1893 -38.1893 -13.5398 -13.5398 -13.5392 -13.5392 -12.5106 -12.5106 -12.5005 -12.5005 -12.5000 -12.5000 -1.0834 -1.0834 -1.0341 -1.0341 -0.4875 -0.4875 -0.3678 -0.3678 -0.3255 -0.3255 0.1111 0.1111 5.7966 5.7966 6.7670 6.7670 7.0242 7.0242 8.2206 8.2206 11.2057 11.2057 12.5618 12.5618 12.8277 12.8277 k = 0.2553-0.1474 0.2085 ( 8964 PWs) bands (ev): -38.1940 -38.1940 -38.1894 -38.1894 -13.5397 -13.5397 -13.5391 -13.5391 -12.5104 -12.5104 -12.5004 -12.5004 -12.4999 -12.4999 -1.0879 -1.0879 -1.0334 -1.0334 -0.4905 -0.4905 -0.3664 -0.3664 -0.3240 -0.3240 0.1730 0.1730 5.7273 5.7273 6.6938 6.6938 6.9487 6.9487 8.0366 8.0366 11.2052 11.2052 12.6523 12.6523 12.9206 12.9206 k = 0.2660-0.1536 0.2172 ( 8936 PWs) bands (ev): -38.1939 -38.1939 -38.1895 -38.1895 -13.5396 -13.5396 -13.5390 -13.5390 -12.5102 -12.5102 -12.5004 -12.5004 -12.4998 -12.4998 -1.0925 -1.0925 -1.0327 -1.0327 -0.4937 -0.4937 -0.3650 -0.3650 -0.3224 -0.3224 0.2373 0.2373 5.6605 5.6605 6.6228 6.6228 6.8756 6.8756 7.8553 7.8553 11.2047 11.2047 12.7444 12.7444 13.0157 13.0157 k = 0.2766-0.1597 0.2258 ( 8944 PWs) bands (ev): -38.1939 -38.1939 -38.1896 -38.1896 -13.5395 -13.5395 -13.5389 -13.5389 -12.5101 -12.5101 -12.5004 -12.5004 -12.4996 -12.4996 -1.0973 -1.0973 -1.0319 -1.0319 -0.4968 -0.4968 -0.3637 -0.3637 -0.3207 -0.3207 0.3037 0.3037 5.5961 5.5961 6.5542 6.5542 6.8050 6.8050 7.6771 7.6771 11.2043 11.2043 12.8384 12.8384 13.1132 13.1132 k = 0.2872-0.1658 0.2345 ( 8940 PWs) bands (ev): -38.1938 -38.1938 -38.1896 -38.1896 -13.5394 -13.5394 -13.5388 -13.5388 -12.5099 -12.5099 -12.5003 -12.5003 -12.4995 -12.4995 -1.1021 -1.1021 -1.0312 -1.0312 -0.4999 -0.4999 -0.3624 -0.3624 -0.3190 -0.3190 0.3721 0.3721 5.5340 5.5340 6.4881 6.4881 6.7371 6.7371 7.5026 7.5026 11.2038 11.2038 12.9346 12.9346 13.2132 13.2132 k = 0.2979-0.1720 0.2432 ( 8948 PWs) bands (ev): -38.1937 -38.1937 -38.1897 -38.1897 -13.5394 -13.5394 -13.5387 -13.5387 -12.5098 -12.5098 -12.5003 -12.5003 -12.4994 -12.4994 -1.1071 -1.1071 -1.0305 -1.0305 -0.5028 -0.5028 -0.3612 -0.3612 -0.3173 -0.3173 0.4423 0.4423 5.4738 5.4738 6.4245 6.4245 6.6719 6.6719 7.3324 7.3324 11.2034 11.2034 13.0330 13.0330 13.3155 13.3155 k = 0.3085-0.1781 0.2519 ( 8964 PWs) bands (ev): -38.1936 -38.1936 -38.1898 -38.1898 -13.5393 -13.5393 -13.5386 -13.5386 -12.5097 -12.5097 -12.5003 -12.5003 -12.4993 -12.4993 -1.1122 -1.1122 -1.0298 -1.0298 -0.5057 -0.5057 -0.3600 -0.3600 -0.3155 -0.3155 0.5139 0.5139 5.4154 5.4154 6.3637 6.3637 6.6095 6.6095 7.1668 7.1668 11.2030 11.2030 13.1337 13.1337 13.4202 13.4202 k = 0.3191-0.1843 0.2606 ( 8960 PWs) bands (ev): -38.1936 -38.1936 -38.1898 -38.1898 -13.5392 -13.5392 -13.5386 -13.5386 -12.5095 -12.5095 -12.5003 -12.5003 -12.4992 -12.4992 -1.1172 -1.1172 -1.0291 -1.0291 -0.5083 -0.5083 -0.3589 -0.3589 -0.3138 -0.3138 0.5869 0.5869 5.3587 5.3587 6.3056 6.3056 6.5500 6.5500 7.0066 7.0066 11.2026 11.2026 13.2366 13.2366 13.5274 13.5274 k = 0.3298-0.1904 0.2693 ( 8972 PWs) bands (ev): -38.1935 -38.1935 -38.1899 -38.1899 -13.5391 -13.5391 -13.5385 -13.5385 -12.5094 -12.5094 -12.5003 -12.5003 -12.4990 -12.4990 -1.1223 -1.1223 -1.0284 -1.0284 -0.5108 -0.5108 -0.3578 -0.3578 -0.3120 -0.3120 0.6607 0.6607 5.3032 5.3032 6.2504 6.2504 6.4935 6.4935 6.8523 6.8523 11.2023 11.2023 13.3416 13.3416 13.6368 13.6368 k = 0.3404-0.1965 0.2780 ( 8972 PWs) bands (ev): -38.1934 -38.1934 -38.1900 -38.1900 -13.5391 -13.5391 -13.5384 -13.5384 -12.5093 -12.5093 -12.5003 -12.5003 -12.4989 -12.4989 -1.1273 -1.1273 -1.0278 -1.0278 -0.5130 -0.5130 -0.3568 -0.3568 -0.3102 -0.3102 0.7353 0.7353 5.2486 5.2486 6.1982 6.1982 6.4400 6.4400 6.7046 6.7046 11.2019 11.2019 13.4486 13.4486 13.7486 13.7486 k = 0.3511-0.2027 0.2866 ( 8968 PWs) bands (ev): -38.1933 -38.1933 -38.1901 -38.1901 -13.5390 -13.5390 -13.5384 -13.5384 -12.5091 -12.5091 -12.5003 -12.5003 -12.4988 -12.4988 -1.1322 -1.1322 -1.0271 -1.0271 -0.5151 -0.5151 -0.3558 -0.3558 -0.3084 -0.3084 0.8101 0.8101 5.1948 5.1948 6.1489 6.1489 6.3897 6.3897 6.5641 6.5641 11.2016 11.2016 13.5574 13.5574 13.8626 13.8626 k = 0.3617-0.2088 0.2953 ( 8952 PWs) bands (ev): -38.1933 -38.1933 -38.1901 -38.1901 -13.5389 -13.5389 -13.5383 -13.5383 -12.5090 -12.5090 -12.5003 -12.5003 -12.4987 -12.4987 -1.1369 -1.1369 -1.0265 -1.0265 -0.5170 -0.5170 -0.3549 -0.3549 -0.3067 -0.3067 0.8847 0.8847 5.1414 5.1414 6.1027 6.1027 6.3426 6.3426 6.4317 6.4317 11.2013 11.2013 13.6678 13.6678 13.9787 13.9787 k = 0.3723-0.2150 0.3040 ( 8940 PWs) bands (ev): -38.1932 -38.1932 -38.1902 -38.1902 -13.5389 -13.5389 -13.5382 -13.5382 -12.5089 -12.5089 -12.5003 -12.5003 -12.4986 -12.4986 -1.1415 -1.1415 -1.0259 -1.0259 -0.5186 -0.5186 -0.3541 -0.3541 -0.3050 -0.3050 0.9587 0.9587 5.0882 5.0882 6.0596 6.0596 6.2987 6.2987 6.3080 6.3080 11.2011 11.2011 13.7795 13.7795 14.0966 14.0966 k = 0.3830-0.2211 0.3127 ( 8932 PWs) bands (ev): -38.1931 -38.1931 -38.1902 -38.1902 -13.5388 -13.5388 -13.5382 -13.5382 -12.5088 -12.5088 -12.5003 -12.5003 -12.4985 -12.4985 -1.1459 -1.1459 -1.0254 -1.0254 -0.5201 -0.5201 -0.3533 -0.3533 -0.3034 -0.3034 1.0315 1.0315 5.0349 5.0349 6.0196 6.0196 6.1940 6.1940 6.2581 6.2581 11.2008 11.2008 13.8922 13.8922 14.2163 14.2163 k = 0.3936-0.2273 0.3214 ( 8908 PWs) bands (ev): -38.1931 -38.1931 -38.1903 -38.1903 -13.5388 -13.5388 -13.5381 -13.5381 -12.5087 -12.5087 -12.5003 -12.5003 -12.4984 -12.4984 -1.1501 -1.1501 -1.0249 -1.0249 -0.5214 -0.5214 -0.3526 -0.3526 -0.3019 -0.3019 1.1024 1.1024 4.9816 4.9816 5.9824 5.9824 6.0905 6.0905 6.2209 6.2209 11.2006 11.2006 14.0054 14.0054 14.3374 14.3374 k = 0.4043-0.2334 0.3301 ( 8904 PWs) bands (ev): -38.1930 -38.1930 -38.1903 -38.1903 -13.5387 -13.5387 -13.5381 -13.5381 -12.5086 -12.5086 -12.5003 -12.5003 -12.4983 -12.4983 -1.1539 -1.1539 -1.0244 -1.0244 -0.5225 -0.5225 -0.3520 -0.3520 -0.3004 -0.3004 1.1708 1.1708 4.9285 4.9285 5.9469 5.9469 5.9992 5.9992 6.1871 6.1871 11.2004 11.2004 14.1185 14.1185 14.4595 14.4595 k = 0.4149-0.2395 0.3388 ( 8912 PWs) bands (ev): -38.1930 -38.1930 -38.1903 -38.1903 -13.5387 -13.5387 -13.5380 -13.5380 -12.5086 -12.5086 -12.5003 -12.5003 -12.4983 -12.4983 -1.1575 -1.1575 -1.0240 -1.0240 -0.5235 -0.5235 -0.3514 -0.3514 -0.2991 -0.2991 1.2359 1.2359 4.8761 4.8761 5.9018 5.9018 5.9320 5.9320 6.1567 6.1567 11.2003 11.2003 14.2306 14.2306 14.5820 14.5820 k = 0.4255-0.2457 0.3474 ( 8920 PWs) bands (ev): -38.1929 -38.1929 -38.1904 -38.1904 -13.5387 -13.5387 -13.5380 -13.5380 -12.5085 -12.5085 -12.5003 -12.5003 -12.4982 -12.4982 -1.1607 -1.1607 -1.0237 -1.0237 -0.5243 -0.5243 -0.3509 -0.3509 -0.2979 -0.2979 1.2967 1.2967 4.8251 4.8251 5.8370 5.8370 5.8987 5.8987 6.1298 6.1298 11.2001 11.2001 14.3407 14.3407 14.7041 14.7041 k = 0.4362-0.2518 0.3561 ( 8920 PWs) bands (ev): -38.1929 -38.1929 -38.1904 -38.1904 -13.5386 -13.5386 -13.5380 -13.5380 -12.5084 -12.5084 -12.5003 -12.5003 -12.4981 -12.4981 -1.1635 -1.1635 -1.0233 -1.0233 -0.5250 -0.5250 -0.3505 -0.3505 -0.2968 -0.2968 1.3524 1.3524 4.7767 4.7767 5.7776 5.7776 5.8745 5.8745 6.1065 6.1065 11.2000 11.2000 14.4472 14.4472 14.8245 14.8245 k = 0.4468-0.2580 0.3648 ( 8928 PWs) bands (ev): -38.1929 -38.1929 -38.1905 -38.1905 -13.5386 -13.5386 -13.5380 -13.5380 -12.5084 -12.5084 -12.5003 -12.5003 -12.4981 -12.4981 -1.1659 -1.1659 -1.0230 -1.0230 -0.5256 -0.5256 -0.3501 -0.3501 -0.2959 -0.2959 1.4019 1.4019 4.7322 4.7322 5.7278 5.7278 5.8545 5.8545 6.0867 6.0867 11.1999 11.1999 14.5480 14.5480 14.9416 14.9416 k = 0.4574-0.2641 0.3735 ( 8936 PWs) bands (ev): -38.1929 -38.1929 -38.1905 -38.1905 -13.5386 -13.5386 -13.5379 -13.5379 -12.5084 -12.5084 -12.5003 -12.5003 -12.4980 -12.4980 -1.1680 -1.1680 -1.0228 -1.0228 -0.5260 -0.5260 -0.3498 -0.3498 -0.2951 -0.2951 1.4441 1.4441 4.6931 4.6931 5.6878 5.6878 5.8383 5.8383 6.0704 6.0704 11.1998 11.1998 14.6401 14.6401 15.0523 15.0523 k = 0.4681-0.2702 0.3822 ( 8944 PWs) bands (ev): -38.1928 -38.1928 -38.1905 -38.1905 -13.5386 -13.5386 -13.5379 -13.5379 -12.5083 -12.5083 -12.5003 -12.5003 -12.4980 -12.4980 -1.1696 -1.1696 -1.0226 -1.0226 -0.5264 -0.5264 -0.3496 -0.3496 -0.2945 -0.2945 1.4782 1.4782 4.6608 4.6608 5.6573 5.6573 5.8258 5.8258 6.0577 6.0577 11.1997 11.1997 14.7199 14.7199 15.1522 15.1522 k = 0.4787-0.2764 0.3909 ( 8944 PWs) bands (ev): -38.1928 -38.1928 -38.1905 -38.1905 -13.5385 -13.5385 -13.5379 -13.5379 -12.5083 -12.5083 -12.5003 -12.5003 -12.4980 -12.4980 -1.1707 -1.1707 -1.0225 -1.0225 -0.5266 -0.5266 -0.3494 -0.3494 -0.2941 -0.2941 1.5033 1.5033 4.6366 4.6366 5.6359 5.6359 5.8168 5.8168 6.0487 6.0487 11.1997 11.1997 14.7824 14.7824 15.2347 15.2347 k = 0.4894-0.2825 0.3996 ( 8928 PWs) bands (ev): -38.1928 -38.1928 -38.1905 -38.1905 -13.5385 -13.5385 -13.5379 -13.5379 -12.5083 -12.5083 -12.5003 -12.5003 -12.4980 -12.4980 -1.1714 -1.1714 -1.0224 -1.0224 -0.5267 -0.5267 -0.3493 -0.3493 -0.2938 -0.2938 1.5186 1.5186 4.6217 4.6217 5.6232 5.6232 5.8114 5.8114 6.0432 6.0432 11.1996 11.1996 14.8228 14.8228 15.2905 15.2905 k = 0.5000-0.2887 0.4082 ( 8904 PWs) bands (ev): -38.1928 -38.1928 -38.1905 -38.1905 -13.5385 -13.5385 -13.5379 -13.5379 -12.5083 -12.5083 -12.5003 -12.5003 -12.4980 -12.4980 -1.1716 -1.1716 -1.0224 -1.0224 -0.5268 -0.5268 -0.3493 -0.3493 -0.2937 -0.2937 1.5238 1.5238 4.6167 4.6167 5.6190 5.6190 5.8097 5.8097 6.0414 6.0414 11.1996 11.1996 14.8368 14.8368 15.3105 15.3105 k = 0.5000-0.2887 0.4082 ( 8904 PWs) bands (ev): -38.1928 -38.1928 -38.1905 -38.1905 -13.5385 -13.5385 -13.5379 -13.5379 -12.5083 -12.5083 -12.5003 -12.5003 -12.4980 -12.4980 -1.1716 -1.1716 -1.0224 -1.0224 -0.5268 -0.5268 -0.3493 -0.3493 -0.2937 -0.2937 1.5238 1.5238 4.6167 4.6167 5.6190 5.6190 5.8097 5.8097 6.0414 6.0414 11.1996 11.1996 14.8368 14.8368 15.3105 15.3105 k = 0.5000-0.2766 0.4168 ( 8928 PWs) bands (ev): -38.1928 -38.1928 -38.1905 -38.1905 -13.5385 -13.5385 -13.5379 -13.5379 -12.5083 -12.5083 -12.5003 -12.5003 -12.4980 -12.4980 -1.1714 -1.1714 -1.0224 -1.0224 -0.5267 -0.5267 -0.3493 -0.3493 -0.2938 -0.2938 1.5240 1.5240 4.6178 4.6178 5.5622 5.5622 5.8438 5.8438 6.0665 6.0665 11.2033 11.2033 14.8255 14.8255 15.2974 15.2974 k = 0.5000-0.2646 0.4253 ( 8932 PWs) bands (ev): -38.1928 -38.1928 -38.1905 -38.1905 -13.5385 -13.5385 -13.5379 -13.5379 -12.5083 -12.5083 -12.5003 -12.5003 -12.4980 -12.4980 -1.1709 -1.1709 -1.0225 -1.0225 -0.5264 -0.5264 -0.3494 -0.3494 -0.2942 -0.2942 1.5246 1.5246 4.6211 4.6211 5.4554 5.4554 5.8788 5.8788 6.1459 6.1459 11.2142 11.2142 14.7884 14.7884 15.2643 15.2643 k = 0.5000-0.2526 0.4338 ( 8936 PWs) bands (ev): -38.1928 -38.1928 -38.1905 -38.1905 -13.5385 -13.5385 -13.5379 -13.5379 -12.5083 -12.5083 -12.5003 -12.5003 -12.4980 -12.4980 -1.1699 -1.1699 -1.0226 -1.0226 -0.5258 -0.5258 -0.3494 -0.3494 -0.2947 -0.2947 1.5256 1.5256 4.6266 4.6266 5.3391 5.3391 5.8885 5.8885 6.2652 6.2652 11.2323 11.2323 14.7173 14.7173 15.2265 15.2265 k = 0.5000-0.2406 0.4423 ( 8936 PWs) bands (ev): -38.1928 -38.1928 -38.1906 -38.1906 -13.5385 -13.5385 -13.5379 -13.5379 -12.5083 -12.5083 -12.5003 -12.5003 -12.4980 -12.4980 -1.1685 -1.1685 -1.0228 -1.0228 -0.5251 -0.5251 -0.3495 -0.3495 -0.2954 -0.2954 1.5270 1.5270 4.6342 4.6342 5.2224 5.2224 5.8841 5.8841 6.4041 6.4041 11.2575 11.2575 14.6069 14.6069 15.1980 15.1980 k = 0.5000-0.2285 0.4508 ( 8924 PWs) bands (ev): -38.1927 -38.1927 -38.1906 -38.1906 -13.5385 -13.5385 -13.5379 -13.5379 -12.5082 -12.5082 -12.5003 -12.5003 -12.4980 -12.4980 -1.1668 -1.1668 -1.0230 -1.0230 -0.5241 -0.5241 -0.3496 -0.3496 -0.2964 -0.2964 1.5288 1.5288 4.6438 4.6438 5.1082 5.1082 5.8722 5.8722 6.5536 6.5536 11.2898 11.2898 14.4602 14.4602 15.1841 15.1841 k = 0.5000-0.2165 0.4593 ( 8916 PWs) bands (ev): -38.1927 -38.1927 -38.1906 -38.1906 -13.5385 -13.5385 -13.5379 -13.5379 -12.5082 -12.5082 -12.5003 -12.5003 -12.4980 -12.4980 -1.1648 -1.1648 -1.0233 -1.0233 -0.5230 -0.5230 -0.3497 -0.3497 -0.2975 -0.2975 1.5310 1.5310 4.6553 4.6553 4.9978 4.9978 5.8553 5.8553 6.7102 6.7102 11.3289 11.3289 14.2855 14.2855 15.1830 15.1830 k = 0.5000-0.2045 0.4678 ( 8922 PWs) bands (ev): -38.1927 -38.1927 -38.1906 -38.1906 -13.5385 -13.5385 -13.5379 -13.5379 -12.5082 -12.5082 -12.5002 -12.5002 -12.4980 -12.4980 -1.1625 -1.1625 -1.0236 -1.0236 -0.5217 -0.5217 -0.3498 -0.3498 -0.2989 -0.2989 1.5335 1.5335 4.6681 4.6681 4.8924 4.8924 5.8343 5.8343 6.8723 6.8723 11.3747 11.3747 14.0909 14.0909 15.1914 15.1914 k = 0.5000-0.1925 0.4763 ( 8914 PWs) bands (ev): -38.1927 -38.1927 -38.1907 -38.1907 -13.5384 -13.5384 -13.5379 -13.5379 -12.5082 -12.5082 -12.5002 -12.5002 -12.4981 -12.4981 -1.1599 -1.1599 -1.0239 -1.0239 -0.5202 -0.5202 -0.3499 -0.3499 -0.3004 -0.3004 1.5363 1.5363 4.6793 4.6793 4.7952 4.7952 5.8101 5.8101 7.0392 7.0392 11.4271 11.4271 13.8826 13.8826 15.2064 15.2064 k = 0.5000-0.1804 0.4848 ( 8924 PWs) bands (ev): -38.1926 -38.1926 -38.1907 -38.1907 -13.5384 -13.5384 -13.5379 -13.5379 -12.5081 -12.5081 -12.5002 -12.5002 -12.4981 -12.4981 -1.1571 -1.1571 -1.0243 -1.0243 -0.5186 -0.5186 -0.3500 -0.3500 -0.3021 -0.3021 1.5394 1.5394 4.6630 4.6630 4.7324 4.7324 5.7828 5.7828 7.2103 7.2103 11.4858 11.4858 13.6649 13.6649 15.2193 15.2193 k = 0.5000-0.1684 0.4933 ( 8922 PWs) bands (ev): -38.1926 -38.1926 -38.1908 -38.1908 -13.5384 -13.5384 -13.5379 -13.5379 -12.5081 -12.5081 -12.5001 -12.5001 -12.4981 -12.4981 -1.1541 -1.1541 -1.0247 -1.0247 -0.5168 -0.5168 -0.3501 -0.3501 -0.3040 -0.3040 1.5427 1.5427 4.5867 4.5867 4.7368 4.7368 5.7530 5.7530 7.3855 7.3855 11.5507 11.5507 13.4408 13.4408 15.1167 15.1167 k = 0.5000-0.1564 0.5018 ( 8910 PWs) bands (ev): -38.1925 -38.1925 -38.1908 -38.1908 -13.5384 -13.5384 -13.5379 -13.5379 -12.5081 -12.5081 -12.5001 -12.5001 -12.4981 -12.4981 -1.1510 -1.1510 -1.0252 -1.0252 -0.5149 -0.5149 -0.3501 -0.3501 -0.3060 -0.3060 1.5462 1.5462 4.5026 4.5026 4.7562 4.7562 5.7208 5.7208 7.5644 7.5644 11.6215 11.6215 13.2123 13.2123 14.9547 14.9547 k = 0.5000-0.1443 0.5103 ( 8902 PWs) bands (ev): -38.1925 -38.1925 -38.1908 -38.1908 -13.5383 -13.5383 -13.5379 -13.5379 -12.5080 -12.5080 -12.5001 -12.5001 -12.4982 -12.4982 -1.1479 -1.1479 -1.0257 -1.0257 -0.5129 -0.5129 -0.3500 -0.3500 -0.3081 -0.3081 1.5499 1.5499 4.4220 4.4220 4.7795 4.7795 5.6866 5.6866 7.7469 7.7469 11.6980 11.6980 12.9811 12.9811 14.7911 14.7911 k = 0.5000-0.1323 0.5188 ( 8908 PWs) bands (ev): -38.1924 -38.1924 -38.1909 -38.1909 -13.5383 -13.5383 -13.5379 -13.5379 -12.5080 -12.5080 -12.5000 -12.5000 -12.4982 -12.4982 -1.1446 -1.1446 -1.0263 -1.0263 -0.5109 -0.5109 -0.3499 -0.3499 -0.3104 -0.3104 1.5536 1.5536 4.3465 4.3465 4.8052 4.8052 5.6505 5.6505 7.9329 7.9329 11.7800 11.7800 12.7482 12.7482 14.6284 14.6284 k = 0.5000-0.1203 0.5273 ( 8904 PWs) bands (ev): -38.1924 -38.1924 -38.1909 -38.1909 -13.5383 -13.5383 -13.5379 -13.5379 -12.5080 -12.5080 -12.5000 -12.5000 -12.4982 -12.4982 -1.1415 -1.1415 -1.0268 -1.0268 -0.5088 -0.5088 -0.3497 -0.3497 -0.3128 -0.3128 1.5574 1.5574 4.2766 4.2766 4.8330 4.8330 5.6130 5.6130 8.1222 8.1222 11.8672 11.8672 12.5147 12.5147 14.4673 14.4673 k = 0.5000-0.1083 0.5358 ( 8904 PWs) bands (ev): -38.1923 -38.1923 -38.1910 -38.1910 -13.5383 -13.5383 -13.5379 -13.5379 -12.5080 -12.5080 -12.4999 -12.4999 -12.4983 -12.4983 -1.1383 -1.1383 -1.0274 -1.0274 -0.5067 -0.5067 -0.3494 -0.3494 -0.3152 -0.3152 1.5611 1.5611 4.2127 4.2127 4.8625 4.8625 5.5742 5.5742 8.3145 8.3145 11.9590 11.9590 12.2816 12.2816 14.3080 14.3080 k = 0.5000-0.0962 0.5443 ( 8876 PWs) bands (ev): -38.1922 -38.1922 -38.1911 -38.1911 -13.5382 -13.5382 -13.5379 -13.5379 -12.5079 -12.5079 -12.4999 -12.4999 -12.4983 -12.4983 -1.1354 -1.1354 -1.0280 -1.0280 -0.5047 -0.5047 -0.3490 -0.3490 -0.3177 -0.3177 1.5647 1.5647 4.1548 4.1548 4.8937 4.8937 5.5343 5.5343 8.5099 8.5099 12.0314 12.0314 12.0735 12.0735 14.1510 14.1510 k = 0.5000-0.0842 0.5528 ( 8884 PWs) bands (ev): -38.1922 -38.1922 -38.1911 -38.1911 -13.5382 -13.5382 -13.5380 -13.5380 -12.5079 -12.5079 -12.4999 -12.4999 -12.4983 -12.4983 -1.1326 -1.1326 -1.0285 -1.0285 -0.5028 -0.5028 -0.3484 -0.3484 -0.3202 -0.3202 1.5682 1.5682 4.1033 4.1033 4.9264 4.9264 5.4936 5.4936 8.7080 8.7080 11.8138 11.8138 12.1610 12.1610 13.9964 13.9964 k = 0.5000-0.0722 0.5613 ( 8880 PWs) bands (ev): -38.1921 -38.1921 -38.1912 -38.1912 -13.5382 -13.5382 -13.5380 -13.5380 -12.5079 -12.5079 -12.4998 -12.4998 -12.4984 -12.4984 -1.1300 -1.1300 -1.0291 -1.0291 -0.5011 -0.5011 -0.3478 -0.3478 -0.3227 -0.3227 1.5713 1.5713 4.0582 4.0582 4.9605 4.9605 5.4525 5.4525 8.9086 8.9086 11.5840 11.5840 12.2671 12.2671 13.8442 13.8442 k = 0.5000-0.0601 0.5698 ( 8880 PWs) bands (ev): -38.1920 -38.1920 -38.1913 -38.1913 -13.5382 -13.5382 -13.5380 -13.5380 -12.5079 -12.5079 -12.4998 -12.4998 -12.4984 -12.4984 -1.1278 -1.1278 -1.0295 -1.0295 -0.4995 -0.4995 -0.3470 -0.3470 -0.3251 -0.3251 1.5741 1.5741 4.0198 4.0198 4.9958 4.9958 5.4110 5.4110 9.1111 9.1111 11.3560 11.3560 12.3779 12.3779 13.6948 13.6948 k = 0.5000-0.0481 0.5784 ( 8890 PWs) bands (ev): -38.1920 -38.1920 -38.1913 -38.1913 -13.5381 -13.5381 -13.5380 -13.5380 -12.5078 -12.5078 -12.4998 -12.4998 -12.4984 -12.4984 -1.1258 -1.1258 -1.0300 -1.0300 -0.4981 -0.4981 -0.3461 -0.3461 -0.3274 -0.3274 1.5765 1.5765 3.9882 3.9882 5.0319 5.0319 5.3697 5.3697 9.3149 9.3149 11.1312 11.1312 12.4930 12.4930 13.5483 13.5483 k = 0.5000-0.0361 0.5869 ( 8898 PWs) bands (ev): -38.1919 -38.1919 -38.1914 -38.1914 -13.5381 -13.5381 -13.5380 -13.5380 -12.5078 -12.5078 -12.4997 -12.4997 -12.4984 -12.4984 -1.1243 -1.1243 -1.0303 -1.0303 -0.4970 -0.4970 -0.3451 -0.3451 -0.3295 -0.3295 1.5785 1.5785 3.9635 3.9635 5.0686 5.0686 5.3290 5.3290 9.5182 9.5182 10.9114 10.9114 12.6122 12.6122 13.4047 13.4047 k = 0.5000-0.0241 0.5954 ( 8914 PWs) bands (ev): -38.1918 -38.1918 -38.1915 -38.1915 -13.5381 -13.5381 -13.5380 -13.5380 -12.5078 -12.5078 -12.4997 -12.4997 -12.4985 -12.4985 -1.1232 -1.1232 -1.0306 -1.0306 -0.4962 -0.4962 -0.3442 -0.3442 -0.3313 -0.3313 1.5799 1.5799 3.9458 3.9458 5.1048 5.1048 5.2898 5.2898 9.7168 9.7168 10.7010 10.7010 12.7352 12.7352 13.2642 13.2642 k = 0.5000-0.0120 0.6039 ( 8906 PWs) bands (ev): -38.1917 -38.1917 -38.1916 -38.1916 -13.5381 -13.5381 -13.5380 -13.5380 -12.5078 -12.5078 -12.4997 -12.4997 -12.4985 -12.4985 -1.1225 -1.1225 -1.0308 -1.0308 -0.4957 -0.4957 -0.3435 -0.3435 -0.3325 -0.3325 1.5808 1.5808 3.9351 3.9351 5.1374 5.1374 5.2554 5.2554 9.8954 9.8954 10.5153 10.5153 12.8619 12.8619 13.1271 13.1271 k = 0.5000 0.0000 0.6124 ( 8888 PWs) bands (ev): -38.1916 -38.1916 -38.1916 -38.1916 -13.5381 -13.5381 -13.5380 -13.5380 -12.5078 -12.5078 -12.4997 -12.4997 -12.4985 -12.4985 -1.1222 -1.1222 -1.0308 -1.0308 -0.4955 -0.4955 -0.3432 -0.3432 -0.3329 -0.3329 1.5811 1.5811 3.9316 3.9316 5.1540 5.1540 5.2382 5.2382 9.9865 9.9865 10.4218 10.4218 12.9825 12.9825 13.0030 13.0030 k = 0.5000 0.0000 0.6124 ( 8888 PWs) bands (ev): -38.1916 -38.1916 -38.1916 -38.1916 -13.5381 -13.5381 -13.5380 -13.5380 -12.5078 -12.5078 -12.4997 -12.4997 -12.4985 -12.4985 -1.1222 -1.1222 -1.0308 -1.0308 -0.4955 -0.4955 -0.3432 -0.3432 -0.3329 -0.3329 1.5811 1.5811 3.9316 3.9316 5.1540 5.1540 5.2382 5.2382 9.9865 9.9865 10.4218 10.4218 12.9825 12.9825 13.0030 13.0030 k = 0.4926 0.0127 0.6124 ( 8907 PWs) bands (ev): -38.1917 -38.1917 -38.1916 -38.1916 -13.5381 -13.5381 -13.5380 -13.5380 -12.5078 -12.5078 -12.4997 -12.4997 -12.4985 -12.4985 -1.1223 -1.1223 -1.0308 -1.0308 -0.4956 -0.4956 -0.3434 -0.3434 -0.3327 -0.3327 1.5799 1.5799 3.9305 3.9305 5.1467 5.1467 5.2521 5.2521 9.9358 9.9358 10.4724 10.4724 12.9030 12.9030 13.0874 13.0874 k = 0.4853 0.0255 0.6124 ( 8913 PWs) bands (ev): -38.1918 -38.1918 -38.1916 -38.1916 -13.5381 -13.5381 -13.5380 -13.5380 -12.5078 -12.5078 -12.4997 -12.4997 -12.4985 -12.4985 -1.1224 -1.1224 -1.0307 -1.0307 -0.4956 -0.4956 -0.3439 -0.3439 -0.3321 -0.3321 1.5766 1.5766 3.9271 3.9271 5.1292 5.1292 5.2895 5.2895 9.8201 9.8201 10.5883 10.5883 12.8222 12.8222 13.1826 13.1826 k = 0.4779 0.0382 0.6124 ( 8901 PWs) bands (ev): -38.1918 -38.1918 -38.1915 -38.1915 -13.5382 -13.5382 -13.5379 -13.5379 -12.5078 -12.5078 -12.4997 -12.4997 -12.4984 -12.4984 -1.1225 -1.1225 -1.0307 -1.0307 -0.4957 -0.4957 -0.3445 -0.3445 -0.3312 -0.3312 1.5717 1.5717 3.9215 3.9215 5.1083 5.1083 5.3427 5.3427 9.6792 9.6792 10.7300 10.7300 12.7487 12.7487 13.2793 13.2793 k = 0.4706 0.0509 0.6124 ( 8897 PWs) bands (ev): -38.1918 -38.1918 -38.1915 -38.1915 -13.5382 -13.5382 -13.5379 -13.5379 -12.5078 -12.5078 -12.4997 -12.4997 -12.4984 -12.4984 -1.1227 -1.1227 -1.0305 -1.0305 -0.4957 -0.4957 -0.3454 -0.3454 -0.3302 -0.3302 1.5655 1.5655 3.9138 3.9138 5.0872 5.0872 5.4078 5.4078 9.5282 9.5282 10.8835 10.8835 12.6825 12.6825 13.3770 13.3770 k = 0.4632 0.0637 0.6124 ( 8893 PWs) bands (ev): -38.1919 -38.1919 -38.1914 -38.1914 -13.5383 -13.5383 -13.5379 -13.5379 -12.5079 -12.5079 -12.4998 -12.4998 -12.4984 -12.4984 -1.1230 -1.1230 -1.0304 -1.0304 -0.4958 -0.4958 -0.3462 -0.3462 -0.3289 -0.3289 1.5584 1.5584 3.9046 3.9046 5.0669 5.0669 5.4826 5.4826 9.3727 9.3727 11.0435 11.0435 12.6230 12.6230 13.4755 13.4755 k = 0.4559 0.0764 0.6124 ( 8906 PWs) bands (ev): -38.1919 -38.1919 -38.1914 -38.1914 -13.5383 -13.5383 -13.5379 -13.5379 -12.5079 -12.5079 -12.4998 -12.4998 -12.4984 -12.4984 -1.1233 -1.1233 -1.0302 -1.0302 -0.4960 -0.4960 -0.3471 -0.3471 -0.3277 -0.3277 1.5507 1.5507 3.8942 3.8942 5.0478 5.0478 5.5656 5.5656 9.2155 9.2155 11.2081 11.2081 12.5700 12.5700 13.5744 13.5744 k = 0.4485 0.0891 0.6124 ( 8908 PWs) bands (ev): -38.1920 -38.1920 -38.1914 -38.1914 -13.5383 -13.5383 -13.5378 -13.5378 -12.5079 -12.5079 -12.4998 -12.4998 -12.4984 -12.4984 -1.1236 -1.1236 -1.0300 -1.0300 -0.4961 -0.4961 -0.3480 -0.3480 -0.3264 -0.3264 1.5428 1.5428 3.8832 3.8832 5.0302 5.0302 5.6553 5.6553 9.0585 9.0585 11.3759 11.3759 12.5233 12.5233 13.6735 13.6735 k = 0.4412 0.1019 0.6124 ( 8912 PWs) bands (ev): -38.1920 -38.1920 -38.1913 -38.1913 -13.5384 -13.5384 -13.5378 -13.5378 -12.5079 -12.5079 -12.4998 -12.4998 -12.4983 -12.4983 -1.1240 -1.1240 -1.0298 -1.0298 -0.4962 -0.4962 -0.3488 -0.3488 -0.3251 -0.3251 1.5349 1.5349 3.8719 3.8719 5.0141 5.0141 5.7503 5.7503 8.9031 8.9031 11.5463 11.5463 12.4828 12.4828 13.7721 13.7721 k = 0.4338 0.1146 0.6124 ( 8916 PWs) bands (ev): -38.1920 -38.1920 -38.1913 -38.1913 -13.5384 -13.5384 -13.5378 -13.5378 -12.5079 -12.5079 -12.4999 -12.4999 -12.4983 -12.4983 -1.1243 -1.1243 -1.0297 -1.0297 -0.4963 -0.4963 -0.3496 -0.3496 -0.3239 -0.3239 1.5272 1.5272 3.8609 3.8609 4.9997 4.9997 5.8490 5.8490 8.7509 8.7509 11.7180 11.7180 12.4487 12.4487 13.8696 13.8696 k = 0.4265 0.1274 0.6124 ( 8912 PWs) bands (ev): -38.1920 -38.1920 -38.1913 -38.1913 -13.5384 -13.5384 -13.5378 -13.5378 -12.5080 -12.5080 -12.4999 -12.4999 -12.4983 -12.4983 -1.1247 -1.1247 -1.0295 -1.0295 -0.4964 -0.4964 -0.3503 -0.3503 -0.3227 -0.3227 1.5200 1.5200 3.8504 3.8504 4.9869 4.9869 5.9495 5.9495 8.6035 8.6035 11.8894 11.8894 12.4224 12.4224 13.9652 13.9652 k = 0.4191 0.1401 0.6124 ( 8908 PWs) bands (ev): -38.1921 -38.1921 -38.1912 -38.1912 -13.5385 -13.5385 -13.5377 -13.5377 -12.5080 -12.5080 -12.4999 -12.4999 -12.4983 -12.4983 -1.1250 -1.1250 -1.0293 -1.0293 -0.4965 -0.4965 -0.3509 -0.3509 -0.3217 -0.3217 1.5134 1.5134 3.8408 3.8408 4.9757 4.9757 6.0499 6.0499 8.4627 8.4627 12.0555 12.0555 12.4081 12.4081 14.0574 14.0574 k = 0.4118 0.1528 0.6124 ( 8908 PWs) bands (ev): -38.1921 -38.1921 -38.1912 -38.1912 -13.5385 -13.5385 -13.5377 -13.5377 -12.5080 -12.5080 -12.4999 -12.4999 -12.4983 -12.4983 -1.1253 -1.1253 -1.0291 -1.0291 -0.4966 -0.4966 -0.3514 -0.3514 -0.3208 -0.3208 1.5075 1.5075 3.8322 3.8322 4.9663 4.9663 6.1475 6.1475 8.3312 8.3312 12.1973 12.1973 12.4242 12.4242 14.1421 14.1421 k = 0.4044 0.1656 0.6124 ( 8905 PWs) bands (ev): -38.1921 -38.1921 -38.1912 -38.1912 -13.5385 -13.5385 -13.5377 -13.5377 -12.5080 -12.5080 -12.4999 -12.4999 -12.4982 -12.4982 -1.1256 -1.1256 -1.0290 -1.0290 -0.4967 -0.4967 -0.3519 -0.3519 -0.3200 -0.3200 1.5026 1.5026 3.8250 3.8250 4.9585 4.9585 6.2389 6.2389 8.2122 8.2122 12.2680 12.2680 12.5168 12.5168 14.0289 14.0289 k = 0.3971 0.1783 0.6124 ( 8905 PWs) bands (ev): -38.1921 -38.1921 -38.1912 -38.1912 -13.5385 -13.5385 -13.5377 -13.5377 -12.5080 -12.5080 -12.5000 -12.5000 -12.4982 -12.4982 -1.1258 -1.1258 -1.0289 -1.0289 -0.4967 -0.4967 -0.3522 -0.3522 -0.3194 -0.3194 1.4987 1.4987 3.8192 3.8192 4.9525 4.9525 6.3196 6.3196 8.1101 8.1101 12.2816 12.2816 12.6703 12.6703 13.8421 13.8421 k = 0.3897 0.1910 0.6124 ( 8907 PWs) bands (ev): -38.1921 -38.1921 -38.1912 -38.1912 -13.5385 -13.5385 -13.5377 -13.5377 -12.5080 -12.5080 -12.5000 -12.5000 -12.4982 -12.4982 -1.1260 -1.1260 -1.0288 -1.0288 -0.4968 -0.4968 -0.3525 -0.3525 -0.3189 -0.3189 1.4958 1.4958 3.8150 3.8150 4.9482 4.9482 6.3840 6.3840 8.0304 8.0304 12.2812 12.2812 12.8388 12.8388 13.6594 13.6594 k = 0.3824 0.2038 0.6124 ( 8904 PWs) bands (ev): -38.1921 -38.1921 -38.1912 -38.1912 -13.5385 -13.5385 -13.5377 -13.5377 -12.5080 -12.5080 -12.5000 -12.5000 -12.4982 -12.4982 -1.1261 -1.1261 -1.0287 -1.0287 -0.4968 -0.4968 -0.3527 -0.3527 -0.3186 -0.3186 1.4941 1.4941 3.8125 3.8125 4.9456 4.9456 6.4262 6.4262 7.9792 7.9792 12.2790 12.2790 12.9988 12.9988 13.4927 13.4927 k = 0.3750 0.2165 0.6124 ( 8882 PWs) bands (ev): -38.1921 -38.1921 -38.1912 -38.1912 -13.5385 -13.5385 -13.5377 -13.5377 -12.5080 -12.5080 -12.5000 -12.5000 -12.4982 -12.4982 -1.1261 -1.1261 -1.0287 -1.0287 -0.4968 -0.4968 -0.3527 -0.3527 -0.3186 -0.3186 1.4935 1.4935 3.8116 3.8116 4.9447 4.9447 6.4409 6.4409 7.9614 7.9614 12.2781 12.2781 13.0869 13.0869 13.4025 13.4025 k = 0.3750 0.2165 0.6124 ( 8882 PWs) bands (ev): -38.1921 -38.1921 -38.1912 -38.1912 -13.5385 -13.5385 -13.5377 -13.5377 -12.5080 -12.5080 -12.5000 -12.5000 -12.4982 -12.4982 -1.1261 -1.1261 -1.0287 -1.0287 -0.4968 -0.4968 -0.3527 -0.3527 -0.3186 -0.3186 1.4935 1.4935 3.8116 3.8116 4.9447 4.9447 6.4409 6.4409 7.9614 7.9614 12.2781 12.2781 13.0869 13.0869 13.4025 13.4025 k = 0.3675 0.2122 0.6001 ( 8906 PWs) bands (ev): -38.1920 -38.1920 -38.1913 -38.1913 -13.5386 -13.5386 -13.5377 -13.5377 -12.5080 -12.5080 -12.5000 -12.5000 -12.4982 -12.4982 -1.1218 -1.1218 -1.0294 -1.0294 -0.4933 -0.4933 -0.3531 -0.3531 -0.3209 -0.3209 1.4757 1.4757 3.7446 3.7446 4.9846 4.9846 6.5031 6.5031 8.0690 8.0690 12.3973 12.3973 12.9702 12.9702 13.2586 13.2586 k = 0.3600 0.2078 0.5879 ( 8910 PWs) bands (ev): -38.1920 -38.1920 -38.1913 -38.1913 -13.5386 -13.5386 -13.5376 -13.5376 -12.5080 -12.5080 -12.5000 -12.5000 -12.4982 -12.4982 -1.1176 -1.1176 -1.0301 -1.0301 -0.4897 -0.4897 -0.3534 -0.3534 -0.3233 -0.3233 1.4535 1.4535 3.6868 3.6868 5.0267 5.0267 6.5685 6.5685 8.1737 8.1737 12.4943 12.4943 12.8821 12.8821 13.1190 13.1190 k = 0.3525 0.2035 0.5756 ( 8904 PWs) bands (ev): -38.1919 -38.1919 -38.1914 -38.1914 -13.5387 -13.5387 -13.5376 -13.5376 -12.5081 -12.5081 -12.5000 -12.5000 -12.4982 -12.4982 -1.1134 -1.1134 -1.0308 -1.0308 -0.4859 -0.4859 -0.3538 -0.3538 -0.3257 -0.3257 1.4267 1.4267 3.6385 3.6385 5.0710 5.0710 6.6369 6.6369 8.2755 8.2755 12.5160 12.5160 12.8583 12.8583 13.0013 13.0013 k = 0.3450 0.1992 0.5634 ( 8896 PWs) bands (ev): -38.1918 -38.1918 -38.1915 -38.1915 -13.5387 -13.5387 -13.5376 -13.5376 -12.5081 -12.5081 -12.5000 -12.5000 -12.4982 -12.4982 -1.1092 -1.1092 -1.0315 -1.0315 -0.4821 -0.4821 -0.3542 -0.3542 -0.3281 -0.3281 1.3949 1.3949 3.6003 3.6003 5.1176 5.1176 6.7082 6.7082 8.3747 8.3747 12.4482 12.4482 12.7952 12.7952 13.0234 13.0234 k = 0.3375 0.1949 0.5511 ( 8892 PWs) bands (ev): -38.1917 -38.1917 -38.1916 -38.1916 -13.5387 -13.5387 -13.5375 -13.5375 -12.5081 -12.5081 -12.5000 -12.5000 -12.4982 -12.4982 -1.1052 -1.1052 -1.0322 -1.0322 -0.4781 -0.4781 -0.3546 -0.3546 -0.3304 -0.3304 1.3580 1.3580 3.5722 3.5722 5.1665 5.1665 6.7824 6.7824 8.4714 8.4714 12.3440 12.3440 12.6674 12.6674 13.1578 13.1578 k = 0.3300 0.1905 0.5389 ( 8884 PWs) bands (ev): -38.1917 -38.1917 -38.1916 -38.1916 -13.5388 -13.5388 -13.5375 -13.5375 -12.5082 -12.5082 -12.5000 -12.5000 -12.4982 -12.4982 -1.1013 -1.1013 -1.0329 -1.0329 -0.4741 -0.4741 -0.3550 -0.3550 -0.3327 -0.3327 1.3161 1.3161 3.5543 3.5543 5.2175 5.2175 6.8594 6.8594 8.5659 8.5659 12.2296 12.2296 12.5328 12.5328 13.3202 13.3202 k = 0.3225 0.1862 0.5266 ( 8888 PWs) bands (ev): -38.1918 -38.1918 -38.1915 -38.1915 -13.5388 -13.5388 -13.5375 -13.5375 -12.5082 -12.5082 -12.5000 -12.5000 -12.4981 -12.4981 -1.0974 -1.0974 -1.0335 -1.0335 -0.4700 -0.4700 -0.3554 -0.3554 -0.3349 -0.3349 1.2695 1.2695 3.5466 3.5466 5.2707 5.2707 6.9391 6.9391 8.6583 8.6583 12.1125 12.1125 12.3986 12.3986 13.4958 13.4958 k = 0.3150 0.1819 0.5144 ( 8896 PWs) bands (ev): -38.1919 -38.1919 -38.1914 -38.1914 -13.5389 -13.5389 -13.5375 -13.5375 -12.5083 -12.5083 -12.5001 -12.5001 -12.4981 -12.4981 -1.0938 -1.0938 -1.0342 -1.0342 -0.4659 -0.4659 -0.3558 -0.3558 -0.3371 -0.3371 1.2184 1.2184 3.5488 3.5488 5.3260 5.3260 7.0213 7.0213 8.7490 8.7490 11.9954 11.9954 12.2662 12.2662 13.4513 13.4513 k = 0.3075 0.1775 0.5021 ( 8892 PWs) bands (ev): -38.1920 -38.1920 -38.1913 -38.1913 -13.5390 -13.5390 -13.5375 -13.5375 -12.5083 -12.5083 -12.5001 -12.5001 -12.4981 -12.4981 -1.0902 -1.0902 -1.0348 -1.0348 -0.4617 -0.4617 -0.3562 -0.3562 -0.3392 -0.3392 1.1632 1.1632 3.5605 3.5605 5.3836 5.3836 7.1059 7.1059 8.8382 8.8382 11.8793 11.8793 12.1363 12.1363 13.3441 13.3441 k = 0.3000 0.1732 0.4899 ( 8908 PWs) bands (ev): -38.1921 -38.1921 -38.1912 -38.1912 -13.5390 -13.5390 -13.5375 -13.5375 -12.5084 -12.5084 -12.5002 -12.5002 -12.4981 -12.4981 -1.0869 -1.0869 -1.0354 -1.0354 -0.4576 -0.4576 -0.3567 -0.3567 -0.3412 -0.3412 1.1046 1.1046 3.5812 3.5812 5.4432 5.4432 7.1928 7.1928 8.9260 8.9260 11.7648 11.7648 12.0092 12.0092 13.2397 13.2397 k = 0.2925 0.1689 0.4777 ( 8912 PWs) bands (ev): -38.1922 -38.1922 -38.1911 -38.1911 -13.5391 -13.5391 -13.5375 -13.5375 -12.5085 -12.5085 -12.5002 -12.5002 -12.4981 -12.4981 -1.0837 -1.0837 -1.0360 -1.0360 -0.4535 -0.4535 -0.3571 -0.3571 -0.3432 -0.3432 1.0430 1.0430 3.6106 3.6106 5.5050 5.5050 7.2818 7.2818 9.0128 9.0128 11.6524 11.6524 11.8853 11.8853 13.1379 13.1379 k = 0.2850 0.1645 0.4654 ( 8906 PWs) bands (ev): -38.1923 -38.1923 -38.1910 -38.1910 -13.5391 -13.5391 -13.5376 -13.5376 -12.5086 -12.5086 -12.5003 -12.5003 -12.4981 -12.4981 -1.0807 -1.0807 -1.0365 -1.0365 -0.4493 -0.4493 -0.3575 -0.3575 -0.3451 -0.3451 0.9790 0.9790 3.6481 3.6481 5.5688 5.5688 7.3728 7.3728 9.0988 9.0988 11.5421 11.5421 11.7648 11.7648 13.0388 13.0388 k = 0.2775 0.1602 0.4532 ( 8912 PWs) bands (ev): -38.1925 -38.1925 -38.1909 -38.1909 -13.5392 -13.5392 -13.5376 -13.5376 -12.5087 -12.5087 -12.5003 -12.5003 -12.4981 -12.4981 -1.0778 -1.0778 -1.0370 -1.0370 -0.4453 -0.4453 -0.3580 -0.3580 -0.3469 -0.3469 0.9131 0.9131 3.6932 3.6932 5.6347 5.6347 7.4654 7.4654 9.1841 9.1841 11.4341 11.4341 11.6478 11.6478 12.9424 12.9424 k = 0.2700 0.1559 0.4409 ( 8914 PWs) bands (ev): -38.1926 -38.1926 -38.1908 -38.1908 -13.5393 -13.5393 -13.5376 -13.5376 -12.5088 -12.5088 -12.5004 -12.5004 -12.4982 -12.4982 -1.0752 -1.0752 -1.0374 -1.0374 -0.4412 -0.4412 -0.3584 -0.3584 -0.3487 -0.3487 0.8458 0.8458 3.7455 3.7455 5.7026 5.7026 7.5596 7.5596 9.2689 9.2689 11.3288 11.3288 11.5347 11.5347 12.8487 12.8487 k = 0.2625 0.1516 0.4287 ( 8902 PWs) bands (ev): -38.1927 -38.1927 -38.1907 -38.1907 -13.5393 -13.5393 -13.5377 -13.5377 -12.5089 -12.5089 -12.5004 -12.5004 -12.4982 -12.4982 -1.0727 -1.0727 -1.0378 -1.0378 -0.4372 -0.4372 -0.3588 -0.3588 -0.3504 -0.3504 0.7777 0.7777 3.8046 3.8046 5.7726 5.7726 7.6550 7.6550 9.3534 9.3534 11.2263 11.2263 11.4254 11.4254 12.7577 12.7577 k = 0.2550 0.1472 0.4164 ( 8912 PWs) bands (ev): -38.1928 -38.1928 -38.1906 -38.1906 -13.5394 -13.5394 -13.5377 -13.5377 -12.5090 -12.5090 -12.5005 -12.5005 -12.4982 -12.4982 -1.0703 -1.0703 -1.0382 -1.0382 -0.4333 -0.4333 -0.3592 -0.3592 -0.3520 -0.3520 0.7091 0.7091 3.8700 3.8700 5.8445 5.8445 7.7512 7.7512 9.4377 9.4377 11.1268 11.1268 11.3202 11.3202 12.6694 12.6694 k = 0.2475 0.1429 0.4042 ( 8912 PWs) bands (ev): -38.1929 -38.1929 -38.1905 -38.1905 -13.5394 -13.5394 -13.5378 -13.5378 -12.5091 -12.5091 -12.5005 -12.5005 -12.4983 -12.4983 -1.0682 -1.0682 -1.0385 -1.0385 -0.4295 -0.4295 -0.3596 -0.3596 -0.3536 -0.3536 0.6404 0.6404 3.9414 3.9414 5.9183 5.9183 7.8480 7.8480 9.5219 9.5219 11.0309 11.0309 11.2191 11.2191 12.5838 12.5838 k = 0.2400 0.1386 0.3919 ( 8912 PWs) bands (ev): -38.1930 -38.1930 -38.1904 -38.1904 -13.5395 -13.5395 -13.5379 -13.5379 -12.5093 -12.5093 -12.5006 -12.5006 -12.4983 -12.4983 -1.0661 -1.0661 -1.0387 -1.0387 -0.4258 -0.4258 -0.3600 -0.3600 -0.3551 -0.3551 0.5719 0.5719 4.0185 4.0185 5.9940 5.9940 7.9448 7.9448 9.6060 9.6060 10.9390 10.9390 11.1222 11.1222 12.5009 12.5009 k = 0.2325 0.1342 0.3797 ( 8906 PWs) bands (ev): -38.1931 -38.1931 -38.1902 -38.1902 -13.5396 -13.5396 -13.5379 -13.5379 -12.5094 -12.5094 -12.5006 -12.5006 -12.4984 -12.4984 -1.0643 -1.0643 -1.0389 -1.0389 -0.4222 -0.4222 -0.3604 -0.3604 -0.3565 -0.3565 0.5040 0.5040 4.1009 4.1009 6.0715 6.0715 8.0410 8.0410 9.6901 9.6901 10.8516 10.8516 11.0296 11.0296 12.4206 12.4206 k = 0.2250 0.1299 0.3674 ( 8906 PWs) bands (ev): -38.1932 -38.1932 -38.1901 -38.1901 -13.5396 -13.5396 -13.5380 -13.5380 -12.5095 -12.5095 -12.5007 -12.5007 -12.4985 -12.4985 -1.0626 -1.0626 -1.0391 -1.0391 -0.4187 -0.4187 -0.3608 -0.3608 -0.3579 -0.3579 0.4370 0.4370 4.1885 4.1885 6.1509 6.1509 8.1361 8.1361 9.7740 9.7740 10.7695 10.7695 10.9413 10.9413 12.3431 12.3431 k = 0.2175 0.1256 0.3552 ( 8919 PWs) bands (ev): -38.1934 -38.1934 -38.1900 -38.1900 -13.5397 -13.5397 -13.5381 -13.5381 -12.5097 -12.5097 -12.5007 -12.5007 -12.4986 -12.4986 -1.0610 -1.0610 -1.0392 -1.0392 -0.4154 -0.4154 -0.3614 -0.3614 -0.3590 -0.3590 0.3710 0.3710 4.2810 4.2810 6.2320 6.2320 8.2291 8.2291 9.8574 9.8574 10.6934 10.6934 10.8577 10.8577 12.2682 12.2682 k = 0.2100 0.1212 0.3429 ( 8935 PWs) bands (ev): -38.1935 -38.1935 -38.1899 -38.1899 -13.5398 -13.5398 -13.5382 -13.5382 -12.5098 -12.5098 -12.5008 -12.5008 -12.4987 -12.4987 -1.0595 -1.0595 -1.0394 -1.0394 -0.4122 -0.4122 -0.3623 -0.3623 -0.3598 -0.3598 0.3064 0.3064 4.3782 4.3782 6.3147 6.3147 8.3192 8.3192 9.9398 9.9398 10.6245 10.6245 10.7793 10.7793 12.1959 12.1959 k = 0.2025 0.1169 0.3307 ( 8937 PWs) bands (ev): -38.1936 -38.1936 -38.1898 -38.1898 -13.5398 -13.5398 -13.5383 -13.5383 -12.5100 -12.5100 -12.5009 -12.5009 -12.4988 -12.4988 -1.0582 -1.0582 -1.0395 -1.0395 -0.4091 -0.4091 -0.3635 -0.3635 -0.3602 -0.3602 0.2432 0.2432 4.4798 4.4798 6.3991 6.3991 8.4050 8.4050 10.0200 10.0200 10.5641 10.5641 10.7070 10.7070 12.1263 12.1263 k = 0.1950 0.1126 0.3184 ( 8937 PWs) bands (ev): -38.1937 -38.1937 -38.1897 -38.1897 -13.5399 -13.5399 -13.5384 -13.5384 -12.5101 -12.5101 -12.5009 -12.5009 -12.4989 -12.4989 -1.0569 -1.0569 -1.0395 -1.0395 -0.4063 -0.4063 -0.3649 -0.3649 -0.3604 -0.3604 0.1817 0.1817 4.5858 4.5858 6.4850 6.4850 8.4853 8.4853 10.0954 10.0954 10.5144 10.5144 10.6423 10.6423 12.0593 12.0593 k = 0.1875 0.1083 0.3062 ( 8941 PWs) bands (ev): -38.1938 -38.1938 -38.1896 -38.1896 -13.5400 -13.5400 -13.5385 -13.5385 -12.5103 -12.5103 -12.5010 -12.5010 -12.4990 -12.4990 -1.0558 -1.0558 -1.0396 -1.0396 -0.4037 -0.4037 -0.3663 -0.3663 -0.3605 -0.3605 0.1221 0.1221 4.6959 4.6959 6.5724 6.5724 8.5586 8.5586 10.1599 10.1599 10.4804 10.4804 10.5878 10.5878 11.9949 11.9949 k = 0.1800 0.1039 0.2939 ( 8933 PWs) bands (ev): -38.1939 -38.1939 -38.1895 -38.1895 -13.5400 -13.5400 -13.5387 -13.5387 -12.5105 -12.5105 -12.5010 -12.5010 -12.4991 -12.4991 -1.0547 -1.0547 -1.0396 -1.0396 -0.4014 -0.4014 -0.3678 -0.3678 -0.3605 -0.3605 0.0645 0.0645 4.8101 4.8101 6.6610 6.6610 8.6234 8.6234 10.2003 10.2003 10.4727 10.4727 10.5473 10.5473 11.9332 11.9332 k = 0.1725 0.0996 0.2817 ( 8935 PWs) bands (ev): -38.1940 -38.1940 -38.1894 -38.1894 -13.5401 -13.5401 -13.5388 -13.5388 -12.5106 -12.5106 -12.5010 -12.5010 -12.4993 -12.4993 -1.0538 -1.0538 -1.0397 -1.0397 -0.3995 -0.3995 -0.3693 -0.3693 -0.3604 -0.3604 0.0091 0.0091 4.9281 4.9281 6.7510 6.7510 8.6781 8.6781 10.2035 10.2035 10.5004 10.5004 10.5260 10.5260 11.8740 11.8740 k = 0.1650 0.0953 0.2694 ( 8931 PWs) bands (ev): -38.1941 -38.1941 -38.1893 -38.1893 -13.5402 -13.5402 -13.5389 -13.5389 -12.5108 -12.5108 -12.5011 -12.5011 -12.4994 -12.4994 -1.0528 -1.0528 -1.0398 -1.0398 -0.3981 -0.3981 -0.3709 -0.3709 -0.3602 -0.3602 -0.0439 -0.0439 5.0498 5.0498 6.8420 6.8420 8.7218 8.7218 10.1757 10.1757 10.5174 10.5174 10.5645 10.5645 11.8175 11.8175 k = 0.1575 0.0909 0.2572 ( 8929 PWs) bands (ev): -38.1942 -38.1942 -38.1892 -38.1892 -13.5402 -13.5402 -13.5390 -13.5390 -12.5109 -12.5109 -12.5011 -12.5011 -12.4995 -12.4995 -1.0520 -1.0520 -1.0398 -1.0398 -0.3975 -0.3975 -0.3724 -0.3724 -0.3600 -0.3600 -0.0942 -0.0942 5.1750 5.1750 6.9339 6.9339 8.7538 8.7538 10.1315 10.1315 10.5337 10.5337 10.6384 10.6384 11.7635 11.7635 k = 0.1500 0.0866 0.2449 ( 8931 PWs) bands (ev): -38.1943 -38.1943 -38.1891 -38.1891 -13.5403 -13.5403 -13.5392 -13.5392 -12.5111 -12.5111 -12.5012 -12.5012 -12.4997 -12.4997 -1.0512 -1.0512 -1.0399 -1.0399 -0.3980 -0.3980 -0.3739 -0.3739 -0.3596 -0.3596 -0.1413 -0.1413 5.3037 5.3037 7.0267 7.0267 8.7743 8.7743 10.0797 10.0797 10.5678 10.5678 10.7197 10.7197 11.7122 11.7122 k = 0.1425 0.0823 0.2327 ( 8943 PWs) bands (ev): -38.1944 -38.1944 -38.1891 -38.1891 -13.5403 -13.5403 -13.5393 -13.5393 -12.5113 -12.5113 -12.5012 -12.5012 -12.4998 -12.4998 -1.0505 -1.0505 -1.0400 -1.0400 -0.4001 -0.4001 -0.3754 -0.3754 -0.3592 -0.3592 -0.1849 -0.1849 5.4356 5.4356 7.1200 7.1200 8.7841 8.7841 10.0242 10.0242 10.6183 10.6183 10.8044 10.8044 11.6633 11.6633 k = 0.1350 0.0779 0.2205 ( 8935 PWs) bands (ev): -38.1945 -38.1945 -38.1890 -38.1890 -13.5404 -13.5404 -13.5394 -13.5394 -12.5114 -12.5114 -12.5013 -12.5013 -12.5000 -12.5000 -1.0498 -1.0498 -1.0402 -1.0402 -0.4047 -0.4047 -0.3766 -0.3766 -0.3586 -0.3586 -0.2241 -0.2240 5.5707 5.5707 7.2136 7.2136 8.7845 8.7845 9.9668 9.9668 10.6832 10.6832 10.8905 10.8905 11.6171 11.6171 k = 0.1275 0.0736 0.2082 ( 8919 PWs) bands (ev): -38.1946 -38.1946 -38.1889 -38.1889 -13.5404 -13.5404 -13.5396 -13.5396 -12.5116 -12.5116 -12.5013 -12.5013 -12.5001 -12.5001 -1.0491 -1.0491 -1.0403 -1.0403 -0.4129 -0.4129 -0.3777 -0.3777 -0.3578 -0.3578 -0.2577 -0.2577 5.7087 5.7087 7.3073 7.3073 8.7773 8.7773 9.9081 9.9081 10.7599 10.7599 10.9771 10.9771 11.5734 11.5734 k = 0.1200 0.0693 0.1960 ( 8939 PWs) bands (ev): -38.1947 -38.1947 -38.1888 -38.1888 -13.5405 -13.5405 -13.5397 -13.5397 -12.5117 -12.5117 -12.5013 -12.5013 -12.5003 -12.5003 -1.0486 -1.0486 -1.0405 -1.0405 -0.4259 -0.4259 -0.3787 -0.3787 -0.3569 -0.3569 -0.2845 -0.2845 5.8495 5.8495 7.4007 7.4007 8.7642 8.7642 9.8486 9.8486 10.8460 10.8460 11.0634 11.0634 11.5322 11.5322 k = 0.1125 0.0650 0.1837 ( 8943 PWs) bands (ev): -38.1947 -38.1947 -38.1887 -38.1887 -13.5405 -13.5405 -13.5398 -13.5398 -12.5119 -12.5119 -12.5014 -12.5014 -12.5004 -12.5004 -1.0480 -1.0480 -1.0407 -1.0407 -0.4439 -0.4439 -0.3797 -0.3797 -0.3558 -0.3558 -0.3041 -0.3041 5.9929 5.9929 7.4935 7.4935 8.7469 8.7469 9.7880 9.7880 10.9387 10.9387 11.1491 11.1491 11.4936 11.4936 k = 0.1050 0.0606 0.1715 ( 8943 PWs) bands (ev): -38.1948 -38.1948 -38.1887 -38.1887 -13.5406 -13.5406 -13.5400 -13.5400 -12.5120 -12.5120 -12.5014 -12.5014 -12.5005 -12.5005 -1.0475 -1.0475 -1.0409 -1.0409 -0.4662 -0.4662 -0.3806 -0.3806 -0.3546 -0.3546 -0.3172 -0.3172 6.1387 6.1387 7.5851 7.5851 8.7269 8.7269 9.7262 9.7262 11.0346 11.0346 11.2340 11.2340 11.4574 11.4574 k = 0.0975 0.0563 0.1592 ( 8937 PWs) bands (ev): -38.1949 -38.1949 -38.1886 -38.1886 -13.5406 -13.5406 -13.5401 -13.5401 -12.5121 -12.5121 -12.5014 -12.5014 -12.5007 -12.5007 -1.0470 -1.0470 -1.0412 -1.0412 -0.4908 -0.4908 -0.3815 -0.3815 -0.3534 -0.3534 -0.3257 -0.3257 6.2867 6.2867 7.6750 7.6750 8.7057 8.7057 9.6627 9.6627 11.1297 11.1297 11.3186 11.3186 11.4238 11.4238 k = 0.0900 0.0520 0.1470 ( 8933 PWs) bands (ev): -38.1949 -38.1949 -38.1885 -38.1885 -13.5407 -13.5407 -13.5402 -13.5402 -12.5123 -12.5123 -12.5014 -12.5014 -12.5008 -12.5008 -1.0466 -1.0466 -1.0414 -1.0414 -0.5162 -0.5162 -0.3824 -0.3824 -0.3521 -0.3521 -0.3312 -0.3312 6.4366 6.4366 7.7625 7.7625 8.6843 8.6843 9.5970 9.5970 11.2182 11.2182 11.3923 11.3923 11.4050 11.4050 k = 0.0825 0.0476 0.1347 ( 8929 PWs) bands (ev): -38.1950 -38.1950 -38.1885 -38.1885 -13.5407 -13.5407 -13.5403 -13.5403 -12.5124 -12.5124 -12.5015 -12.5015 -12.5009 -12.5009 -1.0462 -1.0462 -1.0417 -1.0417 -0.5410 -0.5410 -0.3833 -0.3833 -0.3507 -0.3507 -0.3347 -0.3347 6.5881 6.5881 7.8468 7.8468 8.6639 8.6639 9.5285 9.5285 11.2929 11.2929 11.3639 11.3639 11.4941 11.4941 k = 0.0750 0.0433 0.1225 ( 8939 PWs) bands (ev): -38.1951 -38.1951 -38.1884 -38.1884 -13.5407 -13.5407 -13.5404 -13.5404 -12.5125 -12.5125 -12.5015 -12.5015 -12.5010 -12.5010 -1.0458 -1.0458 -1.0420 -1.0420 -0.5646 -0.5646 -0.3842 -0.3842 -0.3494 -0.3494 -0.3371 -0.3371 6.7408 6.7408 7.9267 7.9267 8.6456 8.6456 9.4565 9.4565 11.3373 11.3373 11.3473 11.3473 11.5846 11.5846 k = 0.0675 0.0390 0.1102 ( 8937 PWs) bands (ev): -38.1951 -38.1951 -38.1884 -38.1884 -13.5408 -13.5408 -13.5405 -13.5405 -12.5126 -12.5126 -12.5015 -12.5015 -12.5011 -12.5011 -1.0455 -1.0455 -1.0423 -1.0423 -0.5866 -0.5866 -0.3849 -0.3849 -0.3482 -0.3482 -0.3387 -0.3387 6.8944 6.8944 8.0010 8.0010 8.6303 8.6303 9.3804 9.3804 11.3138 11.3138 11.3758 11.3758 11.5752 11.5752 k = 0.0600 0.0346 0.0980 ( 8939 PWs) bands (ev): -38.1952 -38.1952 -38.1883 -38.1883 -13.5408 -13.5408 -13.5406 -13.5406 -12.5127 -12.5127 -12.5015 -12.5015 -12.5012 -12.5012 -1.0452 -1.0452 -1.0426 -1.0426 -0.6066 -0.6066 -0.3857 -0.3857 -0.3470 -0.3470 -0.3398 -0.3398 7.0483 7.0483 8.0681 8.0681 8.6191 8.6191 9.2996 9.2996 11.2923 11.2923 11.3790 11.3790 11.5286 11.5286 k = 0.0525 0.0303 0.0857 ( 8947 PWs) bands (ev): -38.1952 -38.1952 -38.1883 -38.1883 -13.5408 -13.5408 -13.5407 -13.5407 -12.5128 -12.5128 -12.5016 -12.5016 -12.5013 -12.5013 -1.0449 -1.0449 -1.0429 -1.0429 -0.6244 -0.6244 -0.3863 -0.3863 -0.3459 -0.3459 -0.3406 -0.3406 7.2019 7.2019 8.1263 8.1263 8.6131 8.6131 9.2139 9.2139 11.2732 11.2732 11.3614 11.3614 11.4817 11.4817 k = 0.0450 0.0260 0.0735 ( 8931 PWs) bands (ev): -38.1952 -38.1952 -38.1883 -38.1883 -13.5408 -13.5408 -13.5407 -13.5407 -12.5128 -12.5128 -12.5016 -12.5016 -12.5014 -12.5014 -1.0447 -1.0447 -1.0432 -1.0432 -0.6400 -0.6400 -0.3869 -0.3869 -0.3450 -0.3450 -0.3411 -0.3411 7.3544 7.3544 8.1737 8.1737 8.6127 8.6127 9.1233 9.1233 11.2563 11.2563 11.3318 11.3318 11.4328 11.4328 k = 0.0375 0.0217 0.0612 ( 8919 PWs) bands (ev): -38.1953 -38.1953 -38.1882 -38.1882 -13.5408 -13.5408 -13.5408 -13.5408 -12.5129 -12.5129 -12.5016 -12.5016 -12.5014 -12.5014 -1.0445 -1.0445 -1.0434 -1.0434 -0.6533 -0.6533 -0.3874 -0.3874 -0.3441 -0.3441 -0.3415 -0.3415 7.5048 7.5048 8.2089 8.2089 8.6181 8.6181 9.0284 9.0284 11.2414 11.2414 11.2981 11.2981 11.3835 11.3835 k = 0.0300 0.0173 0.0490 ( 8895 PWs) bands (ev): -38.1953 -38.1953 -38.1882 -38.1882 -13.5409 -13.5409 -13.5408 -13.5408 -12.5130 -12.5130 -12.5016 -12.5016 -12.5015 -12.5015 -1.0444 -1.0444 -1.0437 -1.0437 -0.6642 -0.6642 -0.3878 -0.3878 -0.3434 -0.3434 -0.3418 -0.3418 7.6514 7.6514 8.2310 8.2310 8.6280 8.6280 8.9312 8.9312 11.2282 11.2282 11.2654 11.2654 11.3379 11.3379 k = 0.0225 0.0130 0.0367 ( 8871 PWs) bands (ev): -38.1953 -38.1953 -38.1882 -38.1882 -13.5409 -13.5409 -13.5408 -13.5408 -12.5130 -12.5130 -12.5016 -12.5016 -12.5015 -12.5015 -1.0442 -1.0442 -1.0438 -1.0438 -0.6727 -0.6727 -0.3881 -0.3881 -0.3429 -0.3429 -0.3419 -0.3419 7.7921 7.7921 8.2391 8.2391 8.6400 8.6400 8.8356 8.8356 11.2165 11.2165 11.2369 11.2369 11.3003 11.3003 k = 0.0150 0.0087 0.0245 ( 8859 PWs) bands (ev): -38.1953 -38.1953 -38.1881 -38.1881 -13.5409 -13.5409 -13.5409 -13.5409 -12.5130 -12.5130 -12.5016 -12.5016 -12.5016 -12.5016 -1.0442 -1.0442 -1.0440 -1.0440 -0.6788 -0.6788 -0.3884 -0.3884 -0.3425 -0.3425 -0.3420 -0.3420 7.9233 7.9233 8.2305 8.2305 8.6513 8.6513 8.7494 8.7494 11.2062 11.2062 11.2147 11.2147 11.2738 11.2738 k = 0.0075 0.0043 0.0122 ( 8873 PWs) bands (ev): -38.1953 -38.1953 -38.1881 -38.1881 -13.5409 -13.5409 -13.5409 -13.5409 -12.5130 -12.5130 -12.5016 -12.5016 -12.5016 -12.5016 -1.0441 -1.0441 -1.0441 -1.0441 -0.6825 -0.6825 -0.3885 -0.3885 -0.3422 -0.3422 -0.3421 -0.3421 8.0386 8.0386 8.1997 8.1997 8.6592 8.6592 8.6859 8.6859 11.1986 11.1986 11.2006 11.2006 11.2589 11.2589 k = 0.0000 0.0000 0.0000 ( 8873 PWs) bands (ev): -38.1953 -38.1953 -38.1881 -38.1881 -13.5409 -13.5409 -13.5409 -13.5409 -12.5130 -12.5130 -12.5016 -12.5016 -12.5016 -12.5016 -1.0441 -1.0441 -1.0441 -1.0441 -0.6837 -0.6837 -0.3886 -0.3886 -0.3421 -0.3421 -0.3421 -0.3421 8.1140 8.1140 8.1551 8.1551 8.6620 8.6620 8.6620 8.6620 11.1957 11.1957 11.1957 11.1957 11.2542 11.2542 k = 0.0000 0.0000 0.0000 ( 8873 PWs) bands (ev): -38.1953 -38.1953 -38.1881 -38.1881 -13.5409 -13.5409 -13.5409 -13.5409 -12.5130 -12.5130 -12.5016 -12.5016 -12.5016 -12.5016 -1.0441 -1.0441 -1.0441 -1.0441 -0.6837 -0.6837 -0.3886 -0.3886 -0.3421 -0.3421 -0.3421 -0.3421 8.1140 8.1140 8.1551 8.1551 8.6620 8.6620 8.6620 8.6620 11.1957 11.1957 11.1957 11.1957 11.2542 11.2542 k = 0.0122 0.0070 0.0050 ( 8873 PWs) bands (ev): -38.1953 -38.1953 -38.1881 -38.1881 -13.5409 -13.5409 -13.5409 -13.5409 -12.5130 -12.5130 -12.5016 -12.5016 -12.5016 -12.5016 -1.0441 -1.0441 -1.0441 -1.0441 -0.6825 -0.6825 -0.3885 -0.3885 -0.3422 -0.3422 -0.3421 -0.3421 8.0387 8.0387 8.1999 8.1999 8.6607 8.6607 8.6842 8.6842 11.1990 11.1990 11.2002 11.2002 11.2588 11.2588 k = 0.0244 0.0141 0.0100 ( 8855 PWs) bands (ev): -38.1953 -38.1953 -38.1881 -38.1881 -13.5409 -13.5409 -13.5409 -13.5409 -12.5130 -12.5130 -12.5016 -12.5016 -12.5015 -12.5015 -1.0442 -1.0442 -1.0440 -1.0440 -0.6789 -0.6789 -0.3884 -0.3884 -0.3424 -0.3424 -0.3421 -0.3421 7.9221 7.9221 8.2334 8.2334 8.6568 8.6568 8.7423 8.7423 11.2086 11.2086 11.2124 11.2124 11.2734 11.2734 k = 0.0366 0.0211 0.0149 ( 8876 PWs) bands (ev): -38.1953 -38.1953 -38.1882 -38.1882 -13.5409 -13.5409 -13.5408 -13.5408 -12.5130 -12.5130 -12.5016 -12.5016 -12.5015 -12.5015 -1.0443 -1.0443 -1.0438 -1.0438 -0.6728 -0.6728 -0.3881 -0.3881 -0.3428 -0.3428 -0.3420 -0.3420 7.7874 7.7874 8.2491 8.2491 8.6505 8.6505 8.8202 8.8202 11.2241 11.2241 11.2292 11.2292 11.2994 11.2994 k = 0.0488 0.0282 0.0199 ( 8900 PWs) bands (ev): -38.1953 -38.1953 -38.1882 -38.1882 -13.5409 -13.5409 -13.5408 -13.5408 -12.5130 -12.5130 -12.5016 -12.5016 -12.5015 -12.5015 -1.0444 -1.0444 -1.0436 -1.0436 -0.6644 -0.6644 -0.3878 -0.3878 -0.3433 -0.3433 -0.3419 -0.3419 7.6410 7.6410 8.2543 8.2543 8.6418 8.6418 8.9048 8.9048 11.2450 11.2450 11.2478 11.2478 11.3371 11.3371 k = 0.0610 0.0352 0.0249 ( 8915 PWs) bands (ev): -38.1953 -38.1953 -38.1882 -38.1882 -13.5409 -13.5409 -13.5408 -13.5408 -12.5129 -12.5129 -12.5016 -12.5016 -12.5014 -12.5014 -1.0446 -1.0446 -1.0433 -1.0433 -0.6535 -0.6535 -0.3874 -0.3874 -0.3440 -0.3440 -0.3417 -0.3417 7.4866 7.4866 8.2534 8.2534 8.6311 8.6311 8.9888 8.9888 11.2662 11.2662 11.2702 11.2702 11.3843 11.3843 k = 0.0732 0.0422 0.0299 ( 8927 PWs) bands (ev): -38.1952 -38.1952 -38.1883 -38.1883 -13.5408 -13.5408 -13.5407 -13.5407 -12.5128 -12.5128 -12.5016 -12.5016 -12.5014 -12.5014 -1.0448 -1.0448 -1.0430 -1.0430 -0.6402 -0.6402 -0.3869 -0.3869 -0.3448 -0.3448 -0.3416 -0.3416 7.3266 7.3266 8.2487 8.2487 8.6185 8.6185 9.0686 9.0686 11.2827 11.2827 11.2980 11.2980 11.4373 11.4373 k = 0.0854 0.0493 0.0349 ( 8936 PWs) bands (ev): -38.1952 -38.1952 -38.1883 -38.1883 -13.5408 -13.5408 -13.5406 -13.5406 -12.5128 -12.5128 -12.5016 -12.5016 -12.5013 -12.5013 -1.0450 -1.0450 -1.0427 -1.0427 -0.6246 -0.6246 -0.3864 -0.3864 -0.3457 -0.3457 -0.3414 -0.3414 7.1627 7.1627 8.2416 8.2416 8.6044 8.6044 9.1428 9.1428 11.2947 11.2947 11.3264 11.3264 11.4921 11.4921 k = 0.0976 0.0563 0.0398 ( 8936 PWs) bands (ev): -38.1952 -38.1952 -38.1883 -38.1883 -13.5408 -13.5408 -13.5406 -13.5406 -12.5127 -12.5127 -12.5016 -12.5016 -12.5012 -12.5012 -1.0453 -1.0453 -1.0422 -1.0422 -0.6065 -0.6065 -0.3857 -0.3857 -0.3467 -0.3467 -0.3411 -0.3411 6.9961 6.9961 8.2327 8.2327 8.5890 8.5890 9.2108 9.2108 11.2987 11.2987 11.3520 11.3520 11.5449 11.5449 k = 0.1098 0.0634 0.0448 ( 8939 PWs) bands (ev): -38.1951 -38.1951 -38.1884 -38.1884 -13.5408 -13.5408 -13.5405 -13.5405 -12.5126 -12.5126 -12.5015 -12.5015 -12.5011 -12.5011 -1.0456 -1.0456 -1.0418 -1.0418 -0.5862 -0.5862 -0.3850 -0.3850 -0.3478 -0.3478 -0.3408 -0.3408 6.8278 6.8278 8.2227 8.2227 8.5727 8.5727 9.2730 9.2730 11.2909 11.2909 11.3705 11.3705 11.5925 11.5925 k = 0.1220 0.0704 0.0498 ( 8945 PWs) bands (ev): -38.1951 -38.1951 -38.1884 -38.1884 -13.5408 -13.5408 -13.5404 -13.5404 -12.5125 -12.5125 -12.5015 -12.5015 -12.5010 -12.5010 -1.0459 -1.0459 -1.0413 -1.0413 -0.5635 -0.5635 -0.3842 -0.3842 -0.3490 -0.3490 -0.3405 -0.3405 6.6586 6.6586 8.2119 8.2119 8.5558 8.5558 9.3296 9.3296 11.2688 11.2688 11.3767 11.3767 11.6324 11.6324 k = 0.1341 0.0774 0.0548 ( 8951 PWs) bands (ev): -38.1950 -38.1950 -38.1885 -38.1885 -13.5407 -13.5407 -13.5403 -13.5403 -12.5124 -12.5124 -12.5015 -12.5015 -12.5009 -12.5009 -1.0463 -1.0463 -1.0408 -1.0408 -0.5385 -0.5385 -0.3834 -0.3834 -0.3502 -0.3502 -0.3402 -0.3402 6.4890 6.4890 8.2005 8.2005 8.5386 8.5386 9.3814 9.3814 11.2318 11.2318 11.3661 11.3661 11.6630 11.6630 k = 0.1463 0.0845 0.0597 ( 8954 PWs) bands (ev): -38.1950 -38.1950 -38.1885 -38.1885 -13.5407 -13.5407 -13.5402 -13.5402 -12.5123 -12.5123 -12.5015 -12.5015 -12.5008 -12.5008 -1.0467 -1.0467 -1.0402 -1.0402 -0.5114 -0.5114 -0.3825 -0.3825 -0.3513 -0.3513 -0.3398 -0.3398 6.3195 6.3195 8.1890 8.1890 8.5213 8.5213 9.4291 9.4291 11.1815 11.1815 11.3368 11.3368 11.6838 11.6838 k = 0.1585 0.0915 0.0647 ( 8954 PWs) bands (ev): -38.1949 -38.1949 -38.1886 -38.1886 -13.5407 -13.5407 -13.5400 -13.5400 -12.5121 -12.5121 -12.5015 -12.5015 -12.5006 -12.5006 -1.0472 -1.0472 -1.0396 -1.0396 -0.4822 -0.4822 -0.3816 -0.3816 -0.3522 -0.3522 -0.3394 -0.3394 6.1506 6.1506 8.1775 8.1775 8.5042 8.5042 9.4732 9.4732 11.1204 11.1204 11.2902 11.2902 11.6955 11.6955 k = 0.1707 0.0986 0.0697 ( 8957 PWs) bands (ev): -38.1948 -38.1948 -38.1887 -38.1887 -13.5406 -13.5406 -13.5399 -13.5399 -12.5120 -12.5120 -12.5015 -12.5015 -12.5005 -12.5005 -1.0477 -1.0477 -1.0390 -1.0390 -0.4512 -0.4512 -0.3806 -0.3806 -0.3528 -0.3528 -0.3390 -0.3390 5.9826 5.9826 8.1662 8.1662 8.4875 8.4875 9.5144 9.5144 11.0512 11.0512 11.2299 11.2299 11.6998 11.6998 k = 0.1829 0.1056 0.0747 ( 8963 PWs) bands (ev): -38.1948 -38.1948 -38.1887 -38.1887 -13.5406 -13.5406 -13.5398 -13.5398 -12.5119 -12.5119 -12.5014 -12.5014 -12.5003 -12.5003 -1.0482 -1.0482 -1.0384 -1.0384 -0.4196 -0.4196 -0.3793 -0.3793 -0.3522 -0.3522 -0.3386 -0.3386 5.8160 5.8160 8.1554 8.1554 8.4715 8.4715 9.5532 9.5532 10.9764 10.9764 11.1597 11.1597 11.6982 11.6982 k = 0.1951 0.1127 0.0797 ( 8957 PWs) bands (ev): -38.1947 -38.1947 -38.1888 -38.1888 -13.5406 -13.5406 -13.5396 -13.5396 -12.5117 -12.5117 -12.5014 -12.5014 -12.5002 -12.5002 -1.0487 -1.0487 -1.0377 -1.0377 -0.3923 -0.3923 -0.3760 -0.3760 -0.3470 -0.3470 -0.3381 -0.3381 5.6509 5.6509 8.1452 8.1452 8.4563 8.4563 9.5899 9.5899 10.8976 10.8976 11.0830 11.0830 11.6919 11.6919 k = 0.2073 0.1197 0.0846 ( 8957 PWs) bands (ev): -38.1946 -38.1946 -38.1889 -38.1889 -13.5405 -13.5405 -13.5395 -13.5395 -12.5116 -12.5116 -12.5014 -12.5014 -12.5000 -12.5000 -1.0493 -1.0493 -1.0371 -1.0371 -0.3827 -0.3827 -0.3684 -0.3684 -0.3376 -0.3376 -0.3262 -0.3262 5.4877 5.4877 8.1357 8.1357 8.4421 8.4421 9.6251 9.6251 10.8164 10.8164 11.0020 11.0020 11.6821 11.6821 k = 0.2195 0.1267 0.0896 ( 8952 PWs) bands (ev): -38.1945 -38.1945 -38.1890 -38.1890 -13.5405 -13.5405 -13.5394 -13.5394 -12.5115 -12.5115 -12.5013 -12.5013 -12.4999 -12.4999 -1.0499 -1.0499 -1.0364 -1.0364 -0.3812 -0.3812 -0.3652 -0.3652 -0.3370 -0.3370 -0.2909 -0.2909 5.3265 5.3265 8.1271 8.1271 8.4290 8.4290 9.6589 9.6589 10.7338 10.7338 10.9186 10.9186 11.6694 11.6694 k = 0.2317 0.1338 0.0946 ( 8934 PWs) bands (ev): -38.1944 -38.1944 -38.1890 -38.1890 -13.5404 -13.5404 -13.5392 -13.5392 -12.5113 -12.5113 -12.5013 -12.5013 -12.4997 -12.4997 -1.0505 -1.0505 -1.0358 -1.0358 -0.3809 -0.3809 -0.3643 -0.3643 -0.3365 -0.3365 -0.2501 -0.2501 5.1676 5.1676 8.1195 8.1195 8.4172 8.4172 9.6915 9.6915 10.6507 10.6507 10.8340 10.8340 11.6544 11.6544 k = 0.2439 0.1408 0.0996 ( 8934 PWs) bands (ev): -38.1943 -38.1943 -38.1891 -38.1891 -13.5404 -13.5404 -13.5391 -13.5391 -12.5112 -12.5112 -12.5013 -12.5013 -12.4995 -12.4995 -1.0511 -1.0511 -1.0352 -1.0352 -0.3813 -0.3813 -0.3638 -0.3638 -0.3359 -0.3359 -0.2063 -0.2063 5.0113 5.0113 8.1130 8.1130 8.4067 8.4067 9.7232 9.7232 10.5679 10.5679 10.7491 10.7491 11.6376 11.6376 k = 0.2561 0.1479 0.1046 ( 8931 PWs) bands (ev): -38.1942 -38.1942 -38.1892 -38.1892 -13.5404 -13.5404 -13.5389 -13.5389 -12.5110 -12.5110 -12.5012 -12.5012 -12.4994 -12.4994 -1.0518 -1.0518 -1.0345 -1.0345 -0.3820 -0.3820 -0.3633 -0.3633 -0.3353 -0.3353 -0.1602 -0.1602 4.8577 4.8577 8.1075 8.1075 8.3977 8.3977 9.7540 9.7540 10.4858 10.4858 10.6647 10.6647 11.6194 11.6194 k = 0.2683 0.1549 0.1095 ( 8925 PWs) bands (ev): -38.1941 -38.1941 -38.1893 -38.1893 -13.5403 -13.5403 -13.5388 -13.5388 -12.5109 -12.5109 -12.5012 -12.5012 -12.4992 -12.4992 -1.0524 -1.0524 -1.0339 -1.0339 -0.3831 -0.3831 -0.3626 -0.3626 -0.3347 -0.3347 -0.1122 -0.1122 4.7071 4.7071 8.1033 8.1033 8.3901 8.3901 9.7839 9.7839 10.4051 10.4051 10.5812 10.5812 11.6000 11.6000 k = 0.2805 0.1619 0.1145 ( 8925 PWs) bands (ev): -38.1940 -38.1940 -38.1894 -38.1894 -13.5403 -13.5403 -13.5386 -13.5386 -12.5107 -12.5107 -12.5012 -12.5012 -12.4990 -12.4990 -1.0531 -1.0531 -1.0333 -1.0333 -0.3843 -0.3843 -0.3618 -0.3618 -0.3341 -0.3341 -0.0625 -0.0625 4.5596 4.5596 8.1003 8.1003 8.3840 8.3840 9.8130 9.8130 10.3261 10.3261 10.4992 10.4992 11.5796 11.5796 k = 0.2927 0.1690 0.1195 ( 8919 PWs) bands (ev): -38.1939 -38.1939 -38.1895 -38.1895 -13.5402 -13.5402 -13.5385 -13.5385 -12.5106 -12.5106 -12.5011 -12.5011 -12.4989 -12.4989 -1.0537 -1.0537 -1.0327 -1.0327 -0.3858 -0.3858 -0.3609 -0.3609 -0.3335 -0.3335 -0.0112 -0.0112 4.4155 4.4155 8.0985 8.0985 8.3794 8.3794 9.8410 9.8410 10.2496 10.2496 10.4191 10.4191 11.5586 11.5586 k = 0.3049 0.1760 0.1245 ( 8922 PWs) bands (ev): -38.1938 -38.1938 -38.1897 -38.1897 -13.5402 -13.5402 -13.5383 -13.5383 -12.5105 -12.5105 -12.5011 -12.5011 -12.4987 -12.4987 -1.0544 -1.0544 -1.0321 -1.0321 -0.3873 -0.3873 -0.3599 -0.3599 -0.3329 -0.3329 0.0414 0.0414 4.2751 4.2751 8.0979 8.0979 8.3763 8.3763 9.8676 9.8676 10.1761 10.1761 10.3411 10.3411 11.5371 11.5371 k = 0.3171 0.1831 0.1294 ( 8916 PWs) bands (ev): -38.1936 -38.1936 -38.1898 -38.1898 -13.5402 -13.5402 -13.5382 -13.5382 -12.5103 -12.5103 -12.5010 -12.5010 -12.4985 -12.4985 -1.0550 -1.0550 -1.0315 -1.0315 -0.3889 -0.3889 -0.3589 -0.3589 -0.3323 -0.3323 0.0952 0.0952 4.1386 4.1386 8.0985 8.0985 8.3747 8.3747 9.8915 9.8915 10.1071 10.1071 10.2656 10.2656 11.5153 11.5153 k = 0.3293 0.1901 0.1344 ( 8916 PWs) bands (ev): -38.1935 -38.1935 -38.1899 -38.1899 -13.5401 -13.5401 -13.5381 -13.5381 -12.5102 -12.5102 -12.5010 -12.5010 -12.4984 -12.4984 -1.0556 -1.0556 -1.0310 -1.0310 -0.3905 -0.3905 -0.3579 -0.3579 -0.3317 -0.3317 0.1499 0.1499 4.0064 4.0064 8.1002 8.1002 8.3745 8.3745 9.9088 9.9088 10.0467 10.0467 10.1929 10.1929 11.4935 11.4935 k = 0.3415 0.1971 0.1394 ( 8916 PWs) bands (ev): -38.1934 -38.1934 -38.1900 -38.1900 -13.5401 -13.5401 -13.5379 -13.5379 -12.5101 -12.5101 -12.5010 -12.5010 -12.4982 -12.4982 -1.0562 -1.0562 -1.0305 -1.0305 -0.3921 -0.3921 -0.3568 -0.3568 -0.3311 -0.3311 0.2052 0.2052 3.8787 3.8787 8.1030 8.1030 8.3756 8.3756 9.9055 9.9055 10.0092 10.0092 10.1232 10.1232 11.4718 11.4718 k = 0.3537 0.2042 0.1444 ( 8892 PWs) bands (ev): -38.1933 -38.1933 -38.1901 -38.1901 -13.5401 -13.5401 -13.5378 -13.5378 -12.5100 -12.5100 -12.5009 -12.5009 -12.4981 -12.4981 -1.0568 -1.0568 -1.0301 -1.0301 -0.3936 -0.3936 -0.3558 -0.3558 -0.3305 -0.3305 0.2607 0.2607 3.7559 3.7559 8.1067 8.1067 8.3780 8.3780 9.8685 9.8685 10.0078 10.0078 10.0569 10.0569 11.4504 11.4504 k = 0.3659 0.2112 0.1494 ( 8898 PWs) bands (ev): -38.1931 -38.1931 -38.1902 -38.1902 -13.5400 -13.5400 -13.5377 -13.5377 -12.5099 -12.5099 -12.5009 -12.5009 -12.4980 -12.4980 -1.0574 -1.0574 -1.0296 -1.0296 -0.3950 -0.3950 -0.3548 -0.3548 -0.3300 -0.3300 0.3161 0.3161 3.6385 3.6385 8.1112 8.1112 8.3814 8.3814 9.8170 9.8170 9.9941 9.9941 10.0234 10.0234 11.4295 11.4295 k = 0.3780 0.2183 0.1543 ( 8904 PWs) bands (ev): -38.1930 -38.1930 -38.1903 -38.1903 -13.5400 -13.5400 -13.5376 -13.5376 -12.5098 -12.5098 -12.5009 -12.5009 -12.4979 -12.4979 -1.0579 -1.0579 -1.0292 -1.0292 -0.3964 -0.3964 -0.3539 -0.3539 -0.3295 -0.3295 0.3709 0.3709 3.5271 3.5271 8.1165 8.1165 8.3858 8.3858 9.7642 9.7642 9.9352 9.9352 10.0430 10.0430 11.4093 11.4093 k = 0.3902 0.2253 0.1593 ( 8904 PWs) bands (ev): -38.1929 -38.1929 -38.1905 -38.1905 -13.5400 -13.5400 -13.5375 -13.5375 -12.5097 -12.5097 -12.5008 -12.5008 -12.4977 -12.4977 -1.0584 -1.0584 -1.0289 -1.0289 -0.3977 -0.3977 -0.3530 -0.3530 -0.3290 -0.3290 0.4244 0.4244 3.4221 3.4221 8.1222 8.1222 8.3910 8.3910 9.7136 9.7136 9.8805 9.8805 10.0631 10.0631 11.3901 11.3901 k = 0.4024 0.2323 0.1643 ( 8889 PWs) bands (ev): -38.1928 -38.1928 -38.1906 -38.1906 -13.5400 -13.5400 -13.5374 -13.5374 -12.5096 -12.5096 -12.5008 -12.5008 -12.4976 -12.4976 -1.0589 -1.0589 -1.0285 -1.0285 -0.3989 -0.3989 -0.3522 -0.3522 -0.3286 -0.3286 0.4761 0.4761 3.3244 3.3244 8.1282 8.1282 8.3967 8.3967 9.6666 9.6666 9.8302 9.8302 10.0824 10.0824 11.3720 11.3720 k = 0.4146 0.2394 0.1693 ( 8892 PWs) bands (ev): -38.1926 -38.1926 -38.1907 -38.1907 -13.5399 -13.5399 -13.5373 -13.5373 -12.5096 -12.5096 -12.5008 -12.5008 -12.4976 -12.4976 -1.0593 -1.0593 -1.0282 -1.0282 -0.3999 -0.3999 -0.3515 -0.3515 -0.3282 -0.3282 0.5252 0.5252 3.2346 3.2346 8.1344 8.1344 8.4026 8.4026 9.6239 9.6239 9.7847 9.7847 10.1005 10.1005 11.3553 11.3553 k = 0.4268 0.2464 0.1743 ( 8907 PWs) bands (ev): -38.1925 -38.1925 -38.1909 -38.1909 -13.5399 -13.5399 -13.5372 -13.5372 -12.5095 -12.5095 -12.5007 -12.5007 -12.4975 -12.4975 -1.0597 -1.0597 -1.0280 -1.0280 -0.4009 -0.4009 -0.3508 -0.3508 -0.3278 -0.3278 0.5708 0.5708 3.1538 3.1538 8.1404 8.1404 8.4086 8.4086 9.5859 9.5859 9.7444 9.7444 10.1169 10.1169 11.3402 11.3402 k = 0.4390 0.2535 0.1792 ( 8898 PWs) bands (ev): -38.1924 -38.1924 -38.1910 -38.1910 -13.5399 -13.5399 -13.5372 -13.5372 -12.5095 -12.5095 -12.5007 -12.5007 -12.4974 -12.4974 -1.0600 -1.0600 -1.0278 -1.0278 -0.4017 -0.4017 -0.3503 -0.3503 -0.3275 -0.3275 0.6119 0.6119 3.0827 3.0827 8.1460 8.1460 8.4143 8.4143 9.5531 9.5531 9.7095 9.7095 10.1313 10.1313 11.3270 11.3270 k = 0.4512 0.2605 0.1842 ( 8898 PWs) bands (ev): -38.1922 -38.1922 -38.1911 -38.1911 -13.5399 -13.5399 -13.5371 -13.5371 -12.5094 -12.5094 -12.5007 -12.5007 -12.4974 -12.4974 -1.0602 -1.0602 -1.0276 -1.0276 -0.4023 -0.4023 -0.3498 -0.3498 -0.3273 -0.3273 0.6475 0.6475 3.0226 3.0226 8.1510 8.1510 8.4195 8.4195 9.5257 9.5257 9.6804 9.6804 10.1435 10.1435 11.3159 11.3159 k = 0.4634 0.2676 0.1892 ( 8904 PWs) bands (ev): -38.1921 -38.1921 -38.1913 -38.1913 -13.5399 -13.5399 -13.5371 -13.5371 -12.5094 -12.5094 -12.5007 -12.5007 -12.4973 -12.4973 -1.0604 -1.0604 -1.0274 -1.0274 -0.4029 -0.4029 -0.3495 -0.3495 -0.3271 -0.3271 0.6766 0.6766 2.9745 2.9745 8.1551 8.1551 8.4238 8.4238 9.5040 9.5040 9.6574 9.6574 10.1532 10.1532 11.3070 11.3070 k = 0.4756 0.2746 0.1942 ( 8901 PWs) bands (ev): -38.1919 -38.1919 -38.1914 -38.1914 -13.5399 -13.5399 -13.5371 -13.5371 -12.5094 -12.5094 -12.5007 -12.5007 -12.4973 -12.4973 -1.0606 -1.0606 -1.0273 -1.0273 -0.4032 -0.4032 -0.3492 -0.3492 -0.3269 -0.3269 0.6982 0.6982 2.9393 2.9393 8.1582 8.1582 8.4271 8.4271 9.4884 9.4884 9.6408 9.6408 10.1602 10.1602 11.3005 11.3005 k = 0.4878 0.2816 0.1991 ( 8907 PWs) bands (ev): -38.1918 -38.1918 -38.1915 -38.1915 -13.5399 -13.5399 -13.5370 -13.5370 -12.5094 -12.5094 -12.5007 -12.5007 -12.4973 -12.4973 -1.0607 -1.0607 -1.0273 -1.0273 -0.4035 -0.4035 -0.3490 -0.3490 -0.3269 -0.3269 0.7115 0.7115 2.9178 2.9178 8.1602 8.1602 8.4292 8.4292 9.4790 9.4790 9.6307 9.6307 10.1645 10.1645 11.2965 11.2965 k = 0.5000 0.2887 0.2041 ( 8928 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5399 -13.5399 -13.5370 -13.5370 -12.5094 -12.5094 -12.5007 -12.5007 -12.4973 -12.4973 -1.0607 -1.0607 -1.0273 -1.0273 -0.4035 -0.4035 -0.3490 -0.3490 -0.3268 -0.3268 0.7160 0.7160 2.9106 2.9106 8.1608 8.1608 8.4299 8.4299 9.4758 9.4758 9.6274 9.6274 10.1660 10.1660 11.2952 11.2952 k = 0.5000 0.2887 0.2041 ( 8928 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5399 -13.5399 -13.5370 -13.5370 -12.5094 -12.5094 -12.5007 -12.5007 -12.4973 -12.4973 -1.0607 -1.0607 -1.0273 -1.0273 -0.4035 -0.4035 -0.3490 -0.3490 -0.3268 -0.3268 0.7160 0.7160 2.9106 2.9106 8.1608 8.1608 8.4299 8.4299 9.4758 9.4758 9.6274 9.6274 10.1660 10.1660 11.2952 11.2952 k = 0.5043 0.2762 0.2112 ( 8903 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5399 -13.5399 -13.5370 -13.5370 -12.5094 -12.5094 -12.5007 -12.5007 -12.4973 -12.4973 -1.0608 -1.0608 -1.0273 -1.0273 -0.4037 -0.4037 -0.3490 -0.3490 -0.3271 -0.3271 0.7178 0.7178 2.9118 2.9118 8.1466 8.1466 8.4108 8.4108 9.4863 9.4863 9.6336 9.6336 10.1772 10.1772 11.3066 11.3066 k = 0.5086 0.2638 0.2182 ( 8895 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5399 -13.5399 -13.5370 -13.5370 -12.5093 -12.5093 -12.5006 -12.5006 -12.4973 -12.4973 -1.0609 -1.0609 -1.0276 -1.0276 -0.4041 -0.4041 -0.3491 -0.3491 -0.3281 -0.3281 0.7232 0.7232 2.9155 2.9155 8.1046 8.1046 8.3582 8.3582 9.5106 9.5106 9.6539 9.6539 10.2119 10.2119 11.3402 11.3402 k = 0.5129 0.2513 0.2252 ( 8899 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5398 -13.5398 -13.5370 -13.5370 -12.5093 -12.5093 -12.5006 -12.5006 -12.4973 -12.4973 -1.0611 -1.0611 -1.0280 -1.0280 -0.4047 -0.4047 -0.3492 -0.3492 -0.3295 -0.3295 0.7322 0.7322 2.9216 2.9216 8.0361 8.0361 8.2827 8.2827 9.5292 9.5292 9.6962 9.6962 10.2706 10.2706 11.3950 11.3950 k = 0.5172 0.2389 0.2323 ( 8895 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5398 -13.5398 -13.5371 -13.5371 -12.5093 -12.5093 -12.5006 -12.5006 -12.4973 -12.4973 -1.0614 -1.0614 -1.0285 -1.0285 -0.4057 -0.4057 -0.3494 -0.3494 -0.3313 -0.3313 0.7446 0.7446 2.9302 2.9302 7.9431 7.9431 8.1953 8.1953 9.5268 9.5268 9.7659 9.7659 10.3517 10.3517 11.4693 11.4693 k = 0.5216 0.2265 0.2393 ( 8893 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5398 -13.5398 -13.5371 -13.5371 -12.5093 -12.5093 -12.5006 -12.5006 -12.4973 -12.4973 -1.0619 -1.0619 -1.0291 -1.0291 -0.4071 -0.4071 -0.3497 -0.3497 -0.3333 -0.3333 0.7604 0.7604 2.9413 2.9413 7.8291 7.8291 8.1039 8.1039 9.5042 9.5042 9.8571 9.8571 10.4505 10.4505 11.5615 11.5615 k = 0.5259 0.2140 0.2464 ( 8893 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5398 -13.5398 -13.5371 -13.5371 -12.5092 -12.5092 -12.5006 -12.5006 -12.4973 -12.4973 -1.0625 -1.0625 -1.0298 -1.0298 -0.4090 -0.4090 -0.3502 -0.3502 -0.3353 -0.3353 0.7793 0.7793 2.9548 2.9548 7.6989 7.6989 8.0120 8.0120 9.4671 9.4671 9.9628 9.9628 10.5614 10.5614 11.6698 11.6698 k = 0.5302 0.2016 0.2534 ( 8893 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5397 -13.5397 -13.5371 -13.5371 -12.5092 -12.5092 -12.5006 -12.5006 -12.4974 -12.4974 -1.0633 -1.0633 -1.0306 -1.0306 -0.4113 -0.4113 -0.3509 -0.3509 -0.3370 -0.3370 0.8011 0.8011 2.9707 2.9707 7.5574 7.5574 7.9207 7.9207 9.4201 9.4201 10.0787 10.0787 10.6797 10.6797 11.7923 11.7923 k = 0.5345 0.1891 0.2604 ( 8894 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5397 -13.5397 -13.5371 -13.5371 -12.5091 -12.5091 -12.5006 -12.5006 -12.4974 -12.4974 -1.0643 -1.0643 -1.0313 -1.0313 -0.4141 -0.4141 -0.3518 -0.3518 -0.3383 -0.3383 0.8257 0.8257 2.9891 2.9891 7.4088 7.4088 7.8303 7.8303 9.3659 9.3659 10.2025 10.2025 10.8016 10.8016 11.9271 11.9271 k = 0.5388 0.1767 0.2675 ( 8888 PWs) bands (ev): -38.1917 -38.1917 -38.1916 -38.1916 -13.5396 -13.5396 -13.5371 -13.5371 -12.5091 -12.5091 -12.5005 -12.5005 -12.4975 -12.4975 -1.0655 -1.0655 -1.0320 -1.0320 -0.4175 -0.4175 -0.3528 -0.3528 -0.3392 -0.3392 0.8528 0.8528 3.0099 3.0099 7.2560 7.2560 7.7408 7.7408 9.3068 9.3068 10.3325 10.3325 10.9250 10.9250 12.0723 12.0723 k = 0.5431 0.1642 0.2745 ( 8894 PWs) bands (ev): -38.1917 -38.1917 -38.1916 -38.1916 -13.5396 -13.5396 -13.5371 -13.5371 -12.5090 -12.5090 -12.5005 -12.5005 -12.4975 -12.4975 -1.0671 -1.0671 -1.0327 -1.0327 -0.4214 -0.4214 -0.3538 -0.3538 -0.3396 -0.3396 0.8822 0.8822 3.0332 3.0332 7.1011 7.1011 7.6527 7.6527 9.2442 9.2442 10.4678 10.4678 11.0483 11.0483 12.2254 12.2254 k = 0.5474 0.1518 0.2816 ( 8904 PWs) bands (ev): -38.1917 -38.1917 -38.1916 -38.1916 -13.5395 -13.5395 -13.5372 -13.5372 -12.5089 -12.5089 -12.5005 -12.5005 -12.4976 -12.4976 -1.0689 -1.0689 -1.0332 -1.0332 -0.4257 -0.4257 -0.3547 -0.3547 -0.3397 -0.3397 0.9137 0.9137 3.0589 3.0589 6.9456 6.9456 7.5661 7.5661 9.1792 9.1792 10.6076 10.6076 11.1710 11.1710 12.3836 12.3836 k = 0.5517 0.1394 0.2886 ( 8902 PWs) bands (ev): -38.1917 -38.1917 -38.1916 -38.1916 -13.5395 -13.5395 -13.5372 -13.5372 -12.5089 -12.5089 -12.5004 -12.5004 -12.4976 -12.4976 -1.0711 -1.0711 -1.0336 -1.0336 -0.4304 -0.4304 -0.3554 -0.3554 -0.3395 -0.3395 0.9470 0.9470 3.0870 3.0870 6.7907 6.7907 7.4812 7.4812 9.1124 9.1124 10.7511 10.7511 11.2927 11.2927 12.5435 12.5435 k = 0.5560 0.1269 0.2956 ( 8898 PWs) bands (ev): -38.1917 -38.1917 -38.1916 -38.1916 -13.5394 -13.5394 -13.5372 -13.5372 -12.5088 -12.5088 -12.5004 -12.5004 -12.4977 -12.4977 -1.0736 -1.0736 -1.0339 -1.0339 -0.4354 -0.4354 -0.3559 -0.3559 -0.3391 -0.3391 0.9819 0.9819 3.1174 3.1174 6.6372 6.6372 7.3983 7.3983 9.0443 9.0443 10.8980 10.8980 11.4134 11.4134 12.7006 12.7006 k = 0.5603 0.1145 0.3027 ( 8898 PWs) bands (ev): -38.1917 -38.1917 -38.1916 -38.1916 -13.5394 -13.5394 -13.5372 -13.5372 -12.5087 -12.5087 -12.5004 -12.5004 -12.4977 -12.4977 -1.0763 -1.0763 -1.0341 -1.0341 -0.4405 -0.4405 -0.3562 -0.3562 -0.3385 -0.3385 1.0182 1.0182 3.1502 3.1502 6.4860 6.4860 7.3175 7.3175 8.9755 8.9755 11.0477 11.0477 11.5332 11.5332 12.8483 12.8483 k = 0.5647 0.1020 0.3097 ( 8905 PWs) bands (ev): -38.1917 -38.1917 -38.1916 -38.1916 -13.5393 -13.5393 -13.5373 -13.5373 -12.5086 -12.5086 -12.5003 -12.5003 -12.4978 -12.4978 -1.0793 -1.0793 -1.0341 -1.0341 -0.4456 -0.4456 -0.3563 -0.3563 -0.3377 -0.3377 1.0555 1.0555 3.1852 3.1852 6.3376 6.3376 7.2391 7.2391 8.9062 8.9062 11.1998 11.1998 11.6523 11.6523 12.9779 12.9779 k = 0.5690 0.0896 0.3167 ( 8905 PWs) bands (ev): -38.1917 -38.1917 -38.1916 -38.1916 -13.5392 -13.5392 -13.5373 -13.5373 -12.5086 -12.5086 -12.5003 -12.5003 -12.4978 -12.4978 -1.0825 -1.0825 -1.0340 -1.0340 -0.4507 -0.4507 -0.3563 -0.3563 -0.3368 -0.3368 1.0937 1.0937 3.2225 3.2225 6.1927 6.1927 7.1631 7.1631 8.8366 8.8366 11.3538 11.3538 11.7707 11.7707 13.0775 13.0775 k = 0.5733 0.0771 0.3238 ( 8909 PWs) bands (ev): -38.1918 -38.1918 -38.1916 -38.1916 -13.5392 -13.5392 -13.5373 -13.5373 -12.5085 -12.5085 -12.5002 -12.5002 -12.4979 -12.4979 -1.0859 -1.0859 -1.0338 -1.0338 -0.4556 -0.4556 -0.3562 -0.3562 -0.3358 -0.3358 1.1324 1.1324 3.2618 3.2618 6.0518 6.0518 7.0898 7.0898 8.7669 8.7669 11.5091 11.5091 11.8888 11.8888 13.1360 13.1360 k = 0.5776 0.0647 0.3308 ( 8909 PWs) bands (ev): -38.1918 -38.1918 -38.1915 -38.1915 -13.5391 -13.5391 -13.5374 -13.5374 -12.5084 -12.5084 -12.5002 -12.5002 -12.4979 -12.4979 -1.0894 -1.0894 -1.0335 -1.0335 -0.4604 -0.4604 -0.3560 -0.3560 -0.3346 -0.3346 1.1712 1.1712 3.3032 3.3032 5.9156 5.9156 7.0191 7.0191 8.6973 8.6973 11.6648 11.6648 12.0067 12.0067 13.1500 13.1500 k = 0.5819 0.0523 0.3379 ( 8908 PWs) bands (ev): -38.1918 -38.1918 -38.1915 -38.1915 -13.5390 -13.5390 -13.5374 -13.5374 -12.5084 -12.5084 -12.5002 -12.5002 -12.4980 -12.4980 -1.0930 -1.0930 -1.0332 -1.0332 -0.4650 -0.4650 -0.3557 -0.3557 -0.3333 -0.3333 1.2100 1.2100 3.3464 3.3464 5.7846 5.7846 6.9513 6.9513 8.6278 8.6278 11.8198 11.8198 12.1246 12.1246 13.1270 13.1270 k = 0.5862 0.0398 0.3449 ( 8904 PWs) bands (ev): -38.1918 -38.1918 -38.1915 -38.1915 -13.5390 -13.5390 -13.5374 -13.5374 -12.5083 -12.5083 -12.5001 -12.5001 -12.4980 -12.4980 -1.0967 -1.0967 -1.0328 -1.0328 -0.4694 -0.4694 -0.3554 -0.3554 -0.3320 -0.3320 1.2483 1.2483 3.3913 3.3913 5.6595 5.6595 6.8863 6.8863 8.5587 8.5587 11.9724 11.9724 12.2431 12.2431 13.0797 13.0797 k = 0.5905 0.0274 0.3519 ( 8908 PWs) bands (ev): -38.1918 -38.1918 -38.1915 -38.1915 -13.5389 -13.5389 -13.5375 -13.5375 -12.5083 -12.5083 -12.5001 -12.5001 -12.4981 -12.4981 -1.1004 -1.1004 -1.0323 -1.0323 -0.4735 -0.4735 -0.3551 -0.3551 -0.3306 -0.3306 1.2856 1.2856 3.4376 3.4376 5.5410 5.5410 6.8242 6.8242 8.4898 8.4898 12.1195 12.1195 12.3627 12.3627 13.0198 13.0198 k = 0.5948 0.0149 0.3590 ( 8905 PWs) bands (ev): -38.1919 -38.1919 -38.1914 -38.1914 -13.5388 -13.5388 -13.5375 -13.5375 -12.5082 -12.5082 -12.5000 -12.5000 -12.4981 -12.4981 -1.1040 -1.1040 -1.0319 -1.0319 -0.4773 -0.4773 -0.3547 -0.3547 -0.3291 -0.3291 1.3217 1.3217 3.4851 3.4851 5.4299 5.4299 6.7652 6.7652 8.4215 8.4215 12.2566 12.2566 12.4838 12.4838 12.9577 12.9577 k = 0.5991 0.0025 0.3660 ( 8903 PWs) bands (ev): -38.1919 -38.1919 -38.1914 -38.1914 -13.5388 -13.5388 -13.5375 -13.5375 -12.5082 -12.5082 -12.5000 -12.5000 -12.4981 -12.4981 -1.1076 -1.1076 -1.0314 -1.0314 -0.4809 -0.4809 -0.3544 -0.3544 -0.3276 -0.3276 1.3560 1.3560 3.5333 3.5333 5.3271 5.3271 6.7093 6.7093 8.3536 8.3536 12.3756 12.3756 12.6039 12.6039 12.9064 12.9064 k = 0.6034-0.0100 0.3731 ( 8899 PWs) bands (ev): -38.1919 -38.1919 -38.1914 -38.1914 -13.5387 -13.5387 -13.5376 -13.5376 -12.5081 -12.5081 -12.5000 -12.5000 -12.4982 -12.4982 -1.1111 -1.1111 -1.0309 -1.0309 -0.4841 -0.4841 -0.3541 -0.3541 -0.3260 -0.3260 1.3880 1.3880 3.5820 3.5820 5.2335 5.2335 6.6565 6.6565 8.2864 8.2864 12.4619 12.4619 12.7097 12.7097 12.8949 12.8949 k = 0.6078-0.0224 0.3801 ( 8907 PWs) bands (ev): -38.1920 -38.1920 -38.1913 -38.1913 -13.5387 -13.5387 -13.5376 -13.5376 -12.5081 -12.5081 -12.5000 -12.5000 -12.4982 -12.4982 -1.1145 -1.1145 -1.0304 -1.0304 -0.4872 -0.4872 -0.3537 -0.3537 -0.3245 -0.3245 1.4172 1.4172 3.6305 3.6305 5.1503 5.1503 6.6068 6.6068 8.2198 8.2198 12.4927 12.4927 12.7834 12.7834 12.9621 12.9621 k = 0.6121-0.0348 0.3871 ( 8913 PWs) bands (ev): -38.1920 -38.1920 -38.1913 -38.1913 -13.5386 -13.5386 -13.5376 -13.5376 -12.5081 -12.5081 -12.5000 -12.5000 -12.4982 -12.4982 -1.1177 -1.1177 -1.0300 -1.0300 -0.4899 -0.4899 -0.3534 -0.3534 -0.3229 -0.3229 1.4429 1.4429 3.6783 3.6783 5.0786 5.0786 6.5604 6.5604 8.1539 8.1539 12.4676 12.4676 12.8546 12.8546 13.0768 13.0768 k = 0.6164-0.0473 0.3942 ( 8908 PWs) bands (ev): -38.1920 -38.1920 -38.1913 -38.1913 -13.5386 -13.5386 -13.5376 -13.5376 -12.5080 -12.5080 -12.5000 -12.5000 -12.4982 -12.4982 -1.1207 -1.1207 -1.0295 -1.0295 -0.4924 -0.4924 -0.3532 -0.3532 -0.3214 -0.3214 1.4646 1.4646 3.7248 3.7248 5.0197 5.0197 6.5173 6.5173 8.0888 8.0888 12.4132 12.4132 12.9335 12.9335 13.1976 13.1976 k = 0.6207-0.0597 0.4012 ( 8904 PWs) bands (ev): -38.1921 -38.1921 -38.1912 -38.1912 -13.5386 -13.5386 -13.5377 -13.5377 -12.5080 -12.5080 -12.5000 -12.5000 -12.4982 -12.4982 -1.1235 -1.1235 -1.0291 -1.0291 -0.4947 -0.4947 -0.3529 -0.3529 -0.3200 -0.3200 1.4816 1.4816 3.7694 3.7694 4.9747 4.9747 6.4774 6.4774 8.0246 8.0246 12.3475 12.3475 13.0126 13.0126 13.3088 13.3088 k = 0.6250-0.0722 0.4082 ( 8882 PWs) bands (ev): -38.1921 -38.1921 -38.1912 -38.1912 -13.5385 -13.5385 -13.5377 -13.5377 -12.5080 -12.5080 -12.5000 -12.5000 -12.4982 -12.4982 -1.1261 -1.1261 -1.0287 -1.0287 -0.4968 -0.4968 -0.3527 -0.3527 -0.3186 -0.3186 1.4935 1.4935 3.8116 3.8116 4.9447 4.9447 6.4409 6.4409 7.9614 7.9614 12.2781 12.2781 13.0869 13.0869 13.4025 13.4025 k = 0.6250-0.0722 0.4082 ( 8882 PWs) bands (ev): -38.1921 -38.1921 -38.1912 -38.1912 -13.5385 -13.5385 -13.5377 -13.5377 -12.5080 -12.5080 -12.5000 -12.5000 -12.4982 -12.4982 -1.1261 -1.1261 -1.0287 -1.0287 -0.4968 -0.4968 -0.3527 -0.3527 -0.3186 -0.3186 1.4935 1.4935 3.8116 3.8116 4.9447 4.9447 6.4409 6.4409 7.9614 7.9614 12.2781 12.2781 13.0869 13.0869 13.4025 13.4025 k = 0.6176-0.0679 0.4203 ( 8904 PWs) bands (ev): -38.1921 -38.1921 -38.1912 -38.1912 -13.5385 -13.5385 -13.5377 -13.5377 -12.5080 -12.5080 -12.5000 -12.5000 -12.4982 -12.4982 -1.1261 -1.1261 -1.0287 -1.0287 -0.4968 -0.4968 -0.3527 -0.3527 -0.3186 -0.3186 1.4941 1.4941 3.8125 3.8125 4.9456 4.9456 6.4262 6.4262 7.9792 7.9792 12.2790 12.2790 12.9988 12.9988 13.4927 13.4927 k = 0.6103-0.0637 0.4323 ( 8907 PWs) bands (ev): -38.1921 -38.1921 -38.1912 -38.1912 -13.5385 -13.5385 -13.5377 -13.5377 -12.5080 -12.5080 -12.5000 -12.5000 -12.4982 -12.4982 -1.1260 -1.1260 -1.0288 -1.0288 -0.4968 -0.4968 -0.3525 -0.3525 -0.3189 -0.3189 1.4958 1.4958 3.8150 3.8150 4.9482 4.9482 6.3840 6.3840 8.0304 8.0304 12.2812 12.2812 12.8388 12.8388 13.6594 13.6594 k = 0.6029-0.0594 0.4443 ( 8905 PWs) bands (ev): -38.1921 -38.1921 -38.1912 -38.1912 -13.5385 -13.5385 -13.5377 -13.5377 -12.5080 -12.5080 -12.5000 -12.5000 -12.4982 -12.4982 -1.1258 -1.1258 -1.0289 -1.0289 -0.4967 -0.4967 -0.3522 -0.3522 -0.3194 -0.3194 1.4987 1.4987 3.8192 3.8192 4.9525 4.9525 6.3196 6.3196 8.1101 8.1101 12.2816 12.2816 12.6703 12.6703 13.8421 13.8421 k = 0.5956-0.0552 0.4563 ( 8905 PWs) bands (ev): -38.1921 -38.1921 -38.1912 -38.1912 -13.5385 -13.5385 -13.5377 -13.5377 -12.5080 -12.5080 -12.4999 -12.4999 -12.4982 -12.4982 -1.1256 -1.1256 -1.0290 -1.0290 -0.4967 -0.4967 -0.3519 -0.3519 -0.3200 -0.3200 1.5026 1.5026 3.8250 3.8250 4.9585 4.9585 6.2389 6.2389 8.2122 8.2122 12.2680 12.2680 12.5168 12.5168 14.0289 14.0289 k = 0.5882-0.0509 0.4683 ( 8908 PWs) bands (ev): -38.1921 -38.1921 -38.1912 -38.1912 -13.5385 -13.5385 -13.5377 -13.5377 -12.5080 -12.5080 -12.4999 -12.4999 -12.4983 -12.4983 -1.1253 -1.1253 -1.0291 -1.0291 -0.4966 -0.4966 -0.3514 -0.3514 -0.3208 -0.3208 1.5075 1.5075 3.8322 3.8322 4.9663 4.9663 6.1475 6.1475 8.3312 8.3312 12.1973 12.1973 12.4242 12.4242 14.1421 14.1421 k = 0.5809-0.0467 0.4803 ( 8908 PWs) bands (ev): -38.1921 -38.1921 -38.1912 -38.1912 -13.5385 -13.5385 -13.5377 -13.5377 -12.5080 -12.5080 -12.4999 -12.4999 -12.4983 -12.4983 -1.1250 -1.1250 -1.0293 -1.0293 -0.4965 -0.4965 -0.3509 -0.3509 -0.3217 -0.3217 1.5134 1.5134 3.8408 3.8408 4.9757 4.9757 6.0499 6.0499 8.4627 8.4627 12.0555 12.0555 12.4081 12.4081 14.0574 14.0574 k = 0.5735-0.0425 0.4923 ( 8912 PWs) bands (ev): -38.1920 -38.1920 -38.1913 -38.1913 -13.5384 -13.5384 -13.5378 -13.5378 -12.5080 -12.5080 -12.4999 -12.4999 -12.4983 -12.4983 -1.1247 -1.1247 -1.0295 -1.0295 -0.4964 -0.4964 -0.3503 -0.3503 -0.3227 -0.3227 1.5200 1.5200 3.8504 3.8504 4.9869 4.9869 5.9495 5.9495 8.6035 8.6035 11.8894 11.8894 12.4224 12.4224 13.9652 13.9652 k = 0.5662-0.0382 0.5043 ( 8916 PWs) bands (ev): -38.1920 -38.1920 -38.1913 -38.1913 -13.5384 -13.5384 -13.5378 -13.5378 -12.5079 -12.5079 -12.4999 -12.4999 -12.4983 -12.4983 -1.1243 -1.1243 -1.0297 -1.0297 -0.4963 -0.4963 -0.3496 -0.3496 -0.3239 -0.3239 1.5272 1.5272 3.8609 3.8609 4.9997 4.9997 5.8490 5.8490 8.7509 8.7509 11.7180 11.7180 12.4487 12.4487 13.8696 13.8696 k = 0.5588-0.0340 0.5163 ( 8912 PWs) bands (ev): -38.1920 -38.1920 -38.1913 -38.1913 -13.5384 -13.5384 -13.5378 -13.5378 -12.5079 -12.5079 -12.4998 -12.4998 -12.4983 -12.4983 -1.1240 -1.1240 -1.0298 -1.0298 -0.4962 -0.4962 -0.3488 -0.3488 -0.3251 -0.3251 1.5349 1.5349 3.8719 3.8719 5.0141 5.0141 5.7503 5.7503 8.9031 8.9031 11.5463 11.5463 12.4828 12.4828 13.7721 13.7721 k = 0.5515-0.0297 0.5283 ( 8908 PWs) bands (ev): -38.1920 -38.1920 -38.1914 -38.1914 -13.5383 -13.5383 -13.5378 -13.5378 -12.5079 -12.5079 -12.4998 -12.4998 -12.4984 -12.4984 -1.1236 -1.1236 -1.0300 -1.0300 -0.4961 -0.4961 -0.3480 -0.3480 -0.3264 -0.3264 1.5428 1.5428 3.8832 3.8832 5.0302 5.0302 5.6553 5.6553 9.0585 9.0585 11.3759 11.3759 12.5233 12.5233 13.6735 13.6735 k = 0.5441-0.0255 0.5403 ( 8906 PWs) bands (ev): -38.1919 -38.1919 -38.1914 -38.1914 -13.5383 -13.5383 -13.5379 -13.5379 -12.5079 -12.5079 -12.4998 -12.4998 -12.4984 -12.4984 -1.1233 -1.1233 -1.0302 -1.0302 -0.4960 -0.4960 -0.3471 -0.3471 -0.3277 -0.3277 1.5507 1.5507 3.8942 3.8942 5.0478 5.0478 5.5656 5.5656 9.2155 9.2155 11.2081 11.2081 12.5700 12.5700 13.5744 13.5744 k = 0.5368-0.0212 0.5523 ( 8893 PWs) bands (ev): -38.1919 -38.1919 -38.1914 -38.1914 -13.5383 -13.5383 -13.5379 -13.5379 -12.5079 -12.5079 -12.4998 -12.4998 -12.4984 -12.4984 -1.1230 -1.1230 -1.0304 -1.0304 -0.4958 -0.4958 -0.3462 -0.3462 -0.3289 -0.3289 1.5584 1.5584 3.9046 3.9046 5.0669 5.0669 5.4826 5.4826 9.3727 9.3727 11.0435 11.0435 12.6230 12.6230 13.4755 13.4755 k = 0.5294-0.0170 0.5643 ( 8897 PWs) bands (ev): -38.1918 -38.1918 -38.1915 -38.1915 -13.5382 -13.5382 -13.5379 -13.5379 -12.5078 -12.5078 -12.4997 -12.4997 -12.4984 -12.4984 -1.1227 -1.1227 -1.0305 -1.0305 -0.4957 -0.4957 -0.3454 -0.3454 -0.3302 -0.3302 1.5655 1.5655 3.9138 3.9138 5.0872 5.0872 5.4078 5.4078 9.5282 9.5282 10.8835 10.8835 12.6825 12.6825 13.3770 13.3770 k = 0.5221-0.0127 0.5764 ( 8901 PWs) bands (ev): -38.1918 -38.1918 -38.1915 -38.1915 -13.5382 -13.5382 -13.5379 -13.5379 -12.5078 -12.5078 -12.4997 -12.4997 -12.4984 -12.4984 -1.1225 -1.1225 -1.0307 -1.0307 -0.4957 -0.4957 -0.3445 -0.3445 -0.3312 -0.3312 1.5717 1.5717 3.9215 3.9215 5.1083 5.1083 5.3427 5.3427 9.6792 9.6792 10.7300 10.7300 12.7487 12.7487 13.2793 13.2793 k = 0.5147-0.0085 0.5884 ( 8913 PWs) bands (ev): -38.1918 -38.1918 -38.1916 -38.1916 -13.5381 -13.5381 -13.5380 -13.5380 -12.5078 -12.5078 -12.4997 -12.4997 -12.4985 -12.4985 -1.1224 -1.1224 -1.0307 -1.0307 -0.4956 -0.4956 -0.3439 -0.3439 -0.3321 -0.3321 1.5766 1.5766 3.9271 3.9271 5.1292 5.1292 5.2895 5.2895 9.8201 9.8201 10.5883 10.5883 12.8222 12.8222 13.1826 13.1826 k = 0.5074-0.0042 0.6004 ( 8907 PWs) bands (ev): -38.1917 -38.1917 -38.1916 -38.1916 -13.5381 -13.5381 -13.5380 -13.5380 -12.5078 -12.5078 -12.4997 -12.4997 -12.4985 -12.4985 -1.1223 -1.1223 -1.0308 -1.0308 -0.4956 -0.4956 -0.3434 -0.3434 -0.3327 -0.3327 1.5799 1.5799 3.9305 3.9305 5.1467 5.1467 5.2521 5.2521 9.9358 9.9358 10.4724 10.4724 12.9030 12.9030 13.0874 13.0874 k = 0.5000 0.0000 0.6124 ( 8888 PWs) bands (ev): -38.1916 -38.1916 -38.1916 -38.1916 -13.5381 -13.5381 -13.5380 -13.5380 -12.5078 -12.5078 -12.4997 -12.4997 -12.4985 -12.4985 -1.1222 -1.1222 -1.0308 -1.0308 -0.4955 -0.4955 -0.3432 -0.3432 -0.3329 -0.3329 1.5811 1.5811 3.9316 3.9316 5.1540 5.1540 5.2382 5.2382 9.9865 9.9865 10.4218 10.4218 12.9825 12.9825 13.0030 13.0030 k = 0.5000 0.0000 0.6124 ( 8888 PWs) bands (ev): -38.1916 -38.1916 -38.1916 -38.1916 -13.5381 -13.5381 -13.5380 -13.5380 -12.5078 -12.5078 -12.4997 -12.4997 -12.4985 -12.4985 -1.1222 -1.1222 -1.0308 -1.0308 -0.4955 -0.4955 -0.3432 -0.3432 -0.3329 -0.3329 1.5811 1.5811 3.9316 3.9316 5.1540 5.1540 5.2382 5.2382 9.9865 9.9865 10.4218 10.4218 12.9825 12.9825 13.0030 13.0030 k = 0.5000 0.0085 0.6004 ( 8908 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5381 -13.5381 -13.5380 -13.5380 -12.5078 -12.5078 -12.4997 -12.4997 -12.4985 -12.4985 -1.1221 -1.1221 -1.0308 -1.0308 -0.4954 -0.4954 -0.3433 -0.3433 -0.3330 -0.3330 1.5789 1.5789 3.9260 3.9260 5.1603 5.1603 5.2447 5.2447 9.9856 9.9856 10.4200 10.4200 12.9857 12.9857 13.0063 13.0063 k = 0.5000 0.0170 0.5884 ( 8912 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5382 -13.5382 -13.5380 -13.5380 -12.5078 -12.5078 -12.4997 -12.4997 -12.4985 -12.4985 -1.1215 -1.1215 -1.0309 -1.0309 -0.4950 -0.4950 -0.3434 -0.3434 -0.3331 -0.3331 1.5722 1.5722 3.9098 3.9098 5.1787 5.1787 5.2642 5.2642 9.9828 9.9828 10.4145 10.4145 12.9950 12.9950 13.0166 13.0166 k = 0.5000 0.0255 0.5764 ( 8902 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5382 -13.5382 -13.5379 -13.5379 -12.5078 -12.5078 -12.4997 -12.4997 -12.4985 -12.4985 -1.1207 -1.1207 -1.0310 -1.0310 -0.4943 -0.4943 -0.3436 -0.3436 -0.3333 -0.3333 1.5614 1.5614 3.8841 3.8841 5.2074 5.2074 5.2972 5.2972 9.9782 9.9782 10.4055 10.4055 13.0092 13.0092 13.0346 13.0346 k = 0.5000 0.0340 0.5643 ( 8894 PWs) bands (ev): -38.1917 -38.1917 -38.1916 -38.1916 -13.5383 -13.5383 -13.5379 -13.5379 -12.5079 -12.5079 -12.4997 -12.4997 -12.4984 -12.4984 -1.1195 -1.1195 -1.0311 -1.0311 -0.4934 -0.4934 -0.3439 -0.3439 -0.3336 -0.3336 1.5464 1.5464 3.8505 3.8505 5.2446 5.2446 5.3438 5.3438 9.9719 9.9719 10.3931 10.3931 13.0275 13.0275 13.0607 13.0607 k = 0.5000 0.0425 0.5523 ( 8890 PWs) bands (ev): -38.1916 -38.1916 -38.1916 -38.1916 -13.5383 -13.5383 -13.5378 -13.5378 -12.5079 -12.5079 -12.4998 -12.4998 -12.4984 -12.4984 -1.1180 -1.1180 -1.0313 -1.0313 -0.4921 -0.4921 -0.3443 -0.3443 -0.3339 -0.3339 1.5276 1.5276 3.8109 3.8109 5.2890 5.2890 5.4030 5.4030 9.9640 9.9640 10.3777 10.3777 13.0494 13.0494 13.0946 13.0946 k = 0.5000 0.0509 0.5403 ( 8890 PWs) bands (ev): -38.1916 -38.1916 -38.1916 -38.1916 -13.5384 -13.5384 -13.5378 -13.5378 -12.5079 -12.5079 -12.4998 -12.4998 -12.4984 -12.4984 -1.1162 -1.1162 -1.0315 -1.0315 -0.4906 -0.4906 -0.3448 -0.3448 -0.3343 -0.3343 1.5052 1.5052 3.7669 3.7669 5.3404 5.3404 5.4732 5.4732 9.9545 9.9545 10.3595 10.3595 13.0745 13.0745 13.1358 13.1358 k = 0.5000 0.0594 0.5283 ( 8894 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5385 -13.5385 -13.5377 -13.5377 -12.5079 -12.5079 -12.4998 -12.4998 -12.4984 -12.4984 -1.1142 -1.1142 -1.0317 -1.0317 -0.4888 -0.4888 -0.3454 -0.3454 -0.3347 -0.3347 1.4795 1.4795 3.7199 3.7199 5.3986 5.3986 5.5527 5.5527 9.9436 9.9436 10.3389 10.3389 13.1022 13.1022 13.1833 13.1833 k = 0.5000 0.0679 0.5163 ( 8896 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5385 -13.5385 -13.5377 -13.5377 -12.5080 -12.5080 -12.4998 -12.4998 -12.4983 -12.4983 -1.1118 -1.1118 -1.0320 -1.0320 -0.4866 -0.4866 -0.3460 -0.3460 -0.3352 -0.3352 1.4510 1.4510 3.6711 3.6711 5.4637 5.4637 5.6399 5.6399 9.9315 9.9315 10.3163 10.3163 13.1316 13.1316 13.2363 13.2363 k = 0.5000 0.0764 0.5043 ( 8896 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5386 -13.5386 -13.5376 -13.5376 -12.5080 -12.5080 -12.4999 -12.4999 -12.4983 -12.4983 -1.1092 -1.1092 -1.0322 -1.0322 -0.4842 -0.4842 -0.3467 -0.3467 -0.3357 -0.3357 1.4200 1.4200 3.6213 3.6213 5.5354 5.5354 5.7336 5.7336 9.9182 9.9182 10.2919 10.2919 13.1616 13.1616 13.2934 13.2934 k = 0.5000 0.0849 0.4923 ( 8896 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5387 -13.5387 -13.5376 -13.5376 -12.5081 -12.5081 -12.4999 -12.4999 -12.4982 -12.4982 -1.1065 -1.1065 -1.0325 -1.0325 -0.4815 -0.4815 -0.3475 -0.3475 -0.3362 -0.3362 1.3868 1.3868 3.5714 3.5714 5.6136 5.6136 5.8329 5.8329 9.9041 9.9041 10.2661 10.2661 13.1903 13.1903 13.3518 13.3518 k = 0.5000 0.0934 0.4803 ( 8900 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5387 -13.5387 -13.5376 -13.5376 -12.5081 -12.5081 -12.5000 -12.5000 -12.4982 -12.4982 -1.1035 -1.1035 -1.0328 -1.0328 -0.4785 -0.4785 -0.3484 -0.3484 -0.3367 -0.3367 1.3518 1.3518 3.5219 3.5219 5.6979 5.6979 5.9370 5.9370 9.8891 9.8891 10.2392 10.2392 13.2153 13.2153 13.4057 13.4057 k = 0.5000 0.1019 0.4683 ( 8894 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5388 -13.5388 -13.5375 -13.5375 -12.5082 -12.5082 -12.5000 -12.5000 -12.4981 -12.4981 -1.1004 -1.1004 -1.0331 -1.0331 -0.4751 -0.4751 -0.3492 -0.3492 -0.3372 -0.3372 1.3154 1.3154 3.4732 3.4732 5.7881 5.7881 6.0452 6.0452 9.8734 9.8734 10.2117 10.2117 13.2331 13.2331 13.4378 13.4378 k = 0.5000 0.1104 0.4563 ( 8894 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5389 -13.5389 -13.5375 -13.5375 -12.5082 -12.5082 -12.5001 -12.5001 -12.4981 -12.4981 -1.0972 -1.0972 -1.0334 -1.0334 -0.4715 -0.4715 -0.3501 -0.3501 -0.3377 -0.3377 1.2779 1.2779 3.4257 3.4257 5.8838 5.8838 6.1571 6.1571 9.8573 9.8573 10.1836 10.1836 13.2387 13.2387 13.4033 13.4033 k = 0.5000 0.1189 0.4443 ( 8894 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5390 -13.5390 -13.5374 -13.5374 -12.5083 -12.5083 -12.5001 -12.5001 -12.4980 -12.4980 -1.0940 -1.0940 -1.0337 -1.0337 -0.4676 -0.4676 -0.3510 -0.3510 -0.3382 -0.3382 1.2396 1.2396 3.3797 3.3797 5.9847 5.9847 6.2722 6.2722 9.8407 9.8407 10.1554 10.1554 13.2184 13.2184 13.2828 13.2828 k = 0.5000 0.1274 0.4323 ( 8904 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5390 -13.5390 -13.5374 -13.5374 -12.5084 -12.5084 -12.5002 -12.5002 -12.4980 -12.4980 -1.0907 -1.0907 -1.0339 -1.0339 -0.4633 -0.4633 -0.3519 -0.3519 -0.3387 -0.3387 1.2009 1.2009 3.3354 3.3354 6.0905 6.0905 6.3902 6.3902 9.8239 9.8239 10.1271 10.1271 13.0774 13.0774 13.2110 13.2110 k = 0.5000 0.1358 0.4203 ( 8894 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5391 -13.5391 -13.5374 -13.5374 -12.5084 -12.5084 -12.5002 -12.5002 -12.4979 -12.4979 -1.0874 -1.0874 -1.0341 -1.0341 -0.4589 -0.4589 -0.3527 -0.3527 -0.3391 -0.3391 1.1621 1.1621 3.2928 3.2928 6.2009 6.2009 6.5105 6.5105 9.8070 9.8070 10.0991 10.0991 12.8802 12.8802 13.1540 13.1540 k = 0.5000 0.1443 0.4082 ( 8906 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5392 -13.5392 -13.5373 -13.5373 -12.5085 -12.5085 -12.5002 -12.5002 -12.4979 -12.4979 -1.0842 -1.0842 -1.0343 -1.0343 -0.4542 -0.4542 -0.3534 -0.3534 -0.3395 -0.3395 1.1234 1.1234 3.2523 3.2523 6.3156 6.3156 6.6329 6.6329 9.7900 9.7900 10.0714 10.0714 12.6749 12.6749 13.0748 13.0748 k = 0.5000 0.1528 0.3962 ( 8900 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5392 -13.5392 -13.5373 -13.5373 -12.5086 -12.5086 -12.5003 -12.5003 -12.4978 -12.4978 -1.0811 -1.0811 -1.0343 -1.0343 -0.4493 -0.4493 -0.3540 -0.3540 -0.3399 -0.3399 1.0851 1.0851 3.2138 3.2138 6.4343 6.4343 6.7571 6.7571 9.7730 9.7730 10.0442 10.0442 12.4678 12.4678 12.9744 12.9744 k = 0.5000 0.1613 0.3842 ( 8898 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5393 -13.5393 -13.5373 -13.5373 -12.5087 -12.5087 -12.5003 -12.5003 -12.4978 -12.4978 -1.0782 -1.0782 -1.0343 -1.0343 -0.4443 -0.4443 -0.3544 -0.3544 -0.3402 -0.3402 1.0474 1.0474 3.1774 3.1774 6.5565 6.5565 6.8826 6.8826 9.7561 9.7561 10.0176 10.0176 12.2611 12.2611 12.8571 12.8571 k = 0.5000 0.1698 0.3722 ( 8904 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5394 -13.5394 -13.5372 -13.5372 -12.5087 -12.5087 -12.5004 -12.5004 -12.4977 -12.4977 -1.0754 -1.0754 -1.0342 -1.0342 -0.4393 -0.4393 -0.3546 -0.3546 -0.3404 -0.3404 1.0107 1.0107 3.1433 3.1433 6.6821 6.6821 7.0090 7.0090 9.7394 9.7394 9.9917 9.9917 12.0562 12.0562 12.7276 12.7276 k = 0.5000 0.1783 0.3602 ( 8904 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5394 -13.5394 -13.5372 -13.5372 -12.5088 -12.5088 -12.5004 -12.5004 -12.4977 -12.4977 -1.0728 -1.0728 -1.0340 -1.0340 -0.4344 -0.4344 -0.3546 -0.3546 -0.3405 -0.3405 0.9752 0.9752 3.1114 3.1114 6.8104 6.8104 7.1359 7.1359 9.7227 9.7227 9.9664 9.9664 11.8539 11.8539 12.5903 12.5903 k = 0.5000 0.1868 0.3482 ( 8898 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5395 -13.5395 -13.5372 -13.5372 -12.5089 -12.5089 -12.5004 -12.5004 -12.4976 -12.4976 -1.0705 -1.0705 -1.0337 -1.0337 -0.4296 -0.4296 -0.3544 -0.3544 -0.3406 -0.3406 0.9410 0.9410 3.0818 3.0818 6.9412 6.9412 7.2628 7.2628 9.7063 9.7063 9.9417 9.9417 11.6550 11.6550 12.4489 12.4489 k = 0.5000 0.1953 0.3362 ( 8894 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5395 -13.5395 -13.5372 -13.5372 -12.5089 -12.5089 -12.5005 -12.5005 -12.4975 -12.4975 -1.0685 -1.0685 -1.0332 -1.0332 -0.4250 -0.4250 -0.3539 -0.3539 -0.3404 -0.3404 0.9084 0.9084 3.0545 3.0545 7.0738 7.0738 7.3891 7.3891 9.6899 9.6899 9.9174 9.9174 11.4604 11.4604 12.3062 12.3062 k = 0.5000 0.2038 0.3242 ( 8900 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5396 -13.5396 -13.5371 -13.5371 -12.5090 -12.5090 -12.5005 -12.5005 -12.4975 -12.4975 -1.0668 -1.0668 -1.0326 -1.0326 -0.4208 -0.4208 -0.3532 -0.3532 -0.3401 -0.3401 0.8777 0.8777 3.0296 3.0296 7.2076 7.2076 7.5142 7.5142 9.6735 9.6735 9.8934 9.8934 11.2710 11.2710 12.1647 12.1647 k = 0.5000 0.2123 0.3122 ( 8894 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5396 -13.5396 -13.5371 -13.5371 -12.5091 -12.5091 -12.5005 -12.5005 -12.4975 -12.4975 -1.0653 -1.0653 -1.0320 -1.0320 -0.4170 -0.4170 -0.3523 -0.3523 -0.3394 -0.3394 0.8490 0.8490 3.0070 3.0070 7.3417 7.3417 7.6374 7.6374 9.6571 9.6571 9.8691 9.8691 11.0882 11.0882 12.0268 12.0268 k = 0.5000 0.2208 0.3002 ( 8896 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5397 -13.5397 -13.5371 -13.5371 -12.5091 -12.5091 -12.5006 -12.5006 -12.4974 -12.4974 -1.0641 -1.0641 -1.0313 -1.0313 -0.4138 -0.4138 -0.3515 -0.3515 -0.3383 -0.3383 0.8226 0.8226 2.9868 2.9868 7.4748 7.4748 7.7580 7.7580 9.6405 9.6405 9.8440 9.8440 10.9136 10.9136 11.8945 11.8945 k = 0.5000 0.2292 0.2882 ( 8896 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5397 -13.5397 -13.5371 -13.5371 -12.5092 -12.5092 -12.5006 -12.5006 -12.4974 -12.4974 -1.0632 -1.0632 -1.0305 -1.0305 -0.4110 -0.4110 -0.3507 -0.3507 -0.3369 -0.3369 0.7987 0.7987 2.9689 2.9689 7.6054 7.6054 7.8749 7.8749 9.6235 9.6235 9.8173 9.8173 10.7494 10.7494 11.7699 11.7699 k = 0.5000 0.2377 0.2762 ( 8898 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5398 -13.5398 -13.5371 -13.5371 -12.5092 -12.5092 -12.5006 -12.5006 -12.4973 -12.4973 -1.0624 -1.0624 -1.0298 -1.0298 -0.4088 -0.4088 -0.3501 -0.3501 -0.3351 -0.3351 0.7774 0.7774 2.9534 2.9534 7.7309 7.7309 7.9874 7.9874 9.6058 9.6058 9.7877 9.7877 10.5988 10.5988 11.6550 11.6550 k = 0.5000 0.2462 0.2642 ( 8892 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5398 -13.5398 -13.5371 -13.5371 -12.5093 -12.5093 -12.5006 -12.5006 -12.4973 -12.4973 -1.0618 -1.0618 -1.0291 -1.0291 -0.4070 -0.4070 -0.3497 -0.3497 -0.3331 -0.3331 0.7591 0.7591 2.9403 2.9403 7.8482 7.8482 8.0945 8.0945 9.5867 9.5867 9.7544 9.7544 10.4658 10.4658 11.5522 11.5522 k = 0.5000 0.2547 0.2522 ( 8892 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5398 -13.5398 -13.5371 -13.5371 -12.5093 -12.5093 -12.5006 -12.5006 -12.4973 -12.4973 -1.0614 -1.0614 -1.0285 -1.0285 -0.4057 -0.4057 -0.3494 -0.3494 -0.3312 -0.3312 0.7438 0.7438 2.9296 2.9296 7.9531 7.9531 8.1945 8.1945 9.5652 9.5652 9.7178 9.7178 10.3549 10.3549 11.4638 11.4638 k = 0.5000 0.2632 0.2401 ( 8896 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5398 -13.5398 -13.5370 -13.5370 -12.5093 -12.5093 -12.5006 -12.5006 -12.4973 -12.4973 -1.0611 -1.0611 -1.0279 -1.0279 -0.4047 -0.4047 -0.3492 -0.3492 -0.3294 -0.3294 0.7317 0.7317 2.9213 2.9213 8.0406 8.0406 8.2849 8.2849 9.5398 9.5398 9.6814 9.6814 10.2695 10.2695 11.3920 11.3920 k = 0.5000 0.2717 0.2281 ( 8890 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5399 -13.5399 -13.5370 -13.5370 -12.5093 -12.5093 -12.5006 -12.5006 -12.4973 -12.4973 -1.0609 -1.0609 -1.0276 -1.0276 -0.4040 -0.4040 -0.3491 -0.3491 -0.3280 -0.3280 0.7230 0.7230 2.9153 2.9153 8.1064 8.1064 8.3600 8.3600 9.5112 9.5112 9.6516 9.6516 10.2107 10.2107 11.3389 11.3389 k = 0.5000 0.2802 0.2161 ( 8900 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5399 -13.5399 -13.5370 -13.5370 -12.5094 -12.5094 -12.5007 -12.5007 -12.4973 -12.4973 -1.0608 -1.0608 -1.0273 -1.0273 -0.4037 -0.4037 -0.3490 -0.3490 -0.3271 -0.3271 0.7177 0.7177 2.9118 2.9118 8.1471 8.1471 8.4114 8.4114 9.4860 9.4860 9.6333 9.6333 10.1769 10.1769 11.3062 11.3062 k = 0.5000 0.2887 0.2041 ( 8928 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5399 -13.5399 -13.5370 -13.5370 -12.5094 -12.5094 -12.5007 -12.5007 -12.4973 -12.4973 -1.0607 -1.0607 -1.0273 -1.0273 -0.4035 -0.4035 -0.3490 -0.3490 -0.3268 -0.3268 0.7160 0.7160 2.9106 2.9106 8.1608 8.1608 8.4299 8.4299 9.4758 9.4758 9.6274 9.6274 10.1660 10.1660 11.2952 11.2952 k = 0.5000 0.2887 0.2041 ( 8928 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5399 -13.5399 -13.5370 -13.5370 -12.5094 -12.5094 -12.5007 -12.5007 -12.4973 -12.4973 -1.0607 -1.0607 -1.0273 -1.0273 -0.4035 -0.4035 -0.3490 -0.3490 -0.3268 -0.3268 0.7160 0.7160 2.9106 2.9106 8.1608 8.1608 8.4299 8.4299 9.4758 9.4758 9.6274 9.6274 10.1660 10.1660 11.2952 11.2952 k = 0.4957 0.2862 0.2182 ( 8903 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5399 -13.5399 -13.5370 -13.5370 -12.5094 -12.5094 -12.5007 -12.5007 -12.4973 -12.4973 -1.0608 -1.0608 -1.0273 -1.0273 -0.4037 -0.4037 -0.3490 -0.3490 -0.3271 -0.3271 0.7178 0.7178 2.9118 2.9118 8.1466 8.1466 8.4108 8.4108 9.4863 9.4863 9.6336 9.6336 10.1772 10.1772 11.3066 11.3066 k = 0.4914 0.2837 0.2323 ( 8895 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5399 -13.5399 -13.5370 -13.5370 -12.5093 -12.5093 -12.5006 -12.5006 -12.4973 -12.4973 -1.0609 -1.0609 -1.0276 -1.0276 -0.4041 -0.4041 -0.3491 -0.3491 -0.3281 -0.3281 0.7232 0.7232 2.9155 2.9155 8.1046 8.1046 8.3582 8.3582 9.5106 9.5106 9.6539 9.6539 10.2119 10.2119 11.3402 11.3402 k = 0.4871 0.2812 0.2464 ( 8899 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5398 -13.5398 -13.5370 -13.5370 -12.5093 -12.5093 -12.5006 -12.5006 -12.4973 -12.4973 -1.0611 -1.0611 -1.0280 -1.0280 -0.4047 -0.4047 -0.3492 -0.3492 -0.3295 -0.3295 0.7322 0.7322 2.9216 2.9216 8.0361 8.0361 8.2827 8.2827 9.5292 9.5292 9.6962 9.6962 10.2706 10.2706 11.3950 11.3950 k = 0.4828 0.2787 0.2604 ( 8895 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5398 -13.5398 -13.5371 -13.5371 -12.5093 -12.5093 -12.5006 -12.5006 -12.4973 -12.4973 -1.0614 -1.0614 -1.0285 -1.0285 -0.4057 -0.4057 -0.3494 -0.3494 -0.3313 -0.3313 0.7446 0.7446 2.9302 2.9302 7.9431 7.9431 8.1953 8.1953 9.5268 9.5268 9.7659 9.7659 10.3517 10.3517 11.4693 11.4693 k = 0.4784 0.2762 0.2745 ( 8893 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5398 -13.5398 -13.5371 -13.5371 -12.5093 -12.5093 -12.5006 -12.5006 -12.4973 -12.4973 -1.0619 -1.0619 -1.0291 -1.0291 -0.4071 -0.4071 -0.3497 -0.3497 -0.3333 -0.3333 0.7604 0.7604 2.9413 2.9413 7.8291 7.8291 8.1039 8.1039 9.5042 9.5042 9.8571 9.8571 10.4505 10.4505 11.5615 11.5615 k = 0.4741 0.2737 0.2886 ( 8893 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5398 -13.5398 -13.5371 -13.5371 -12.5092 -12.5092 -12.5006 -12.5006 -12.4973 -12.4973 -1.0625 -1.0625 -1.0298 -1.0298 -0.4090 -0.4090 -0.3502 -0.3502 -0.3353 -0.3353 0.7793 0.7793 2.9548 2.9548 7.6989 7.6989 8.0120 8.0120 9.4671 9.4671 9.9628 9.9628 10.5614 10.5614 11.6698 11.6698 k = 0.4698 0.2713 0.3027 ( 8893 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5397 -13.5397 -13.5371 -13.5371 -12.5092 -12.5092 -12.5006 -12.5006 -12.4974 -12.4974 -1.0633 -1.0633 -1.0306 -1.0306 -0.4113 -0.4113 -0.3509 -0.3509 -0.3370 -0.3370 0.8011 0.8011 2.9707 2.9707 7.5574 7.5574 7.9207 7.9207 9.4201 9.4201 10.0787 10.0787 10.6797 10.6797 11.7923 11.7923 k = 0.4655 0.2688 0.3167 ( 8894 PWs) bands (ev): -38.1917 -38.1917 -38.1917 -38.1917 -13.5397 -13.5397 -13.5371 -13.5371 -12.5091 -12.5091 -12.5006 -12.5006 -12.4974 -12.4974 -1.0643 -1.0643 -1.0313 -1.0313 -0.4141 -0.4141 -0.3518 -0.3518 -0.3383 -0.3383 0.8257 0.8257 2.9891 2.9891 7.4088 7.4088 7.8303 7.8303 9.3659 9.3659 10.2025 10.2025 10.8016 10.8016 11.9271 11.9271 k = 0.4612 0.2663 0.3308 ( 8888 PWs) bands (ev): -38.1917 -38.1917 -38.1916 -38.1916 -13.5396 -13.5396 -13.5371 -13.5371 -12.5091 -12.5091 -12.5005 -12.5005 -12.4975 -12.4975 -1.0655 -1.0655 -1.0320 -1.0320 -0.4175 -0.4175 -0.3528 -0.3528 -0.3392 -0.3392 0.8528 0.8528 3.0099 3.0099 7.2560 7.2560 7.7408 7.7408 9.3068 9.3068 10.3325 10.3325 10.9250 10.9250 12.0723 12.0723 k = 0.4569 0.2638 0.3449 ( 8894 PWs) bands (ev): -38.1917 -38.1917 -38.1916 -38.1916 -13.5396 -13.5396 -13.5371 -13.5371 -12.5090 -12.5090 -12.5005 -12.5005 -12.4975 -12.4975 -1.0671 -1.0671 -1.0327 -1.0327 -0.4214 -0.4214 -0.3538 -0.3538 -0.3396 -0.3396 0.8822 0.8822 3.0332 3.0332 7.1011 7.1011 7.6527 7.6527 9.2442 9.2442 10.4678 10.4678 11.0483 11.0483 12.2254 12.2254 k = 0.4526 0.2613 0.3590 ( 8904 PWs) bands (ev): -38.1917 -38.1917 -38.1916 -38.1916 -13.5395 -13.5395 -13.5372 -13.5372 -12.5089 -12.5089 -12.5005 -12.5005 -12.4976 -12.4976 -1.0689 -1.0689 -1.0332 -1.0332 -0.4257 -0.4257 -0.3547 -0.3547 -0.3397 -0.3397 0.9137 0.9137 3.0589 3.0589 6.9456 6.9456 7.5661 7.5661 9.1792 9.1792 10.6076 10.6076 11.1710 11.1710 12.3836 12.3836 k = 0.4483 0.2588 0.3731 ( 8902 PWs) bands (ev): -38.1917 -38.1917 -38.1916 -38.1916 -13.5395 -13.5395 -13.5372 -13.5372 -12.5089 -12.5089 -12.5004 -12.5004 -12.4976 -12.4976 -1.0711 -1.0711 -1.0336 -1.0336 -0.4304 -0.4304 -0.3554 -0.3554 -0.3395 -0.3395 0.9470 0.9470 3.0870 3.0870 6.7907 6.7907 7.4812 7.4812 9.1124 9.1124 10.7511 10.7511 11.2927 11.2927 12.5435 12.5435 k = 0.4440 0.2563 0.3871 ( 8898 PWs) bands (ev): -38.1917 -38.1917 -38.1916 -38.1916 -13.5394 -13.5394 -13.5372 -13.5372 -12.5088 -12.5088 -12.5004 -12.5004 -12.4977 -12.4977 -1.0736 -1.0736 -1.0339 -1.0339 -0.4354 -0.4354 -0.3559 -0.3559 -0.3391 -0.3391 0.9819 0.9819 3.1174 3.1174 6.6372 6.6372 7.3983 7.3983 9.0443 9.0443 10.8980 10.8980 11.4134 11.4134 12.7006 12.7006 k = 0.4397 0.2538 0.4012 ( 8898 PWs) bands (ev): -38.1917 -38.1917 -38.1916 -38.1916 -13.5394 -13.5394 -13.5372 -13.5372 -12.5087 -12.5087 -12.5004 -12.5004 -12.4977 -12.4977 -1.0763 -1.0763 -1.0341 -1.0341 -0.4405 -0.4405 -0.3562 -0.3562 -0.3385 -0.3385 1.0182 1.0182 3.1502 3.1502 6.4860 6.4860 7.3175 7.3175 8.9755 8.9755 11.0477 11.0477 11.5332 11.5332 12.8483 12.8483 k = 0.4353 0.2513 0.4153 ( 8905 PWs) bands (ev): -38.1917 -38.1917 -38.1916 -38.1916 -13.5393 -13.5393 -13.5373 -13.5373 -12.5086 -12.5086 -12.5003 -12.5003 -12.4978 -12.4978 -1.0793 -1.0793 -1.0341 -1.0341 -0.4456 -0.4456 -0.3563 -0.3563 -0.3377 -0.3377 1.0555 1.0555 3.1852 3.1852 6.3376 6.3376 7.2391 7.2391 8.9062 8.9062 11.1998 11.1998 11.6523 11.6523 12.9779 12.9779 k = 0.4310 0.2489 0.4294 ( 8905 PWs) bands (ev): -38.1917 -38.1917 -38.1916 -38.1916 -13.5392 -13.5392 -13.5373 -13.5373 -12.5086 -12.5086 -12.5003 -12.5003 -12.4978 -12.4978 -1.0825 -1.0825 -1.0340 -1.0340 -0.4507 -0.4507 -0.3563 -0.3563 -0.3368 -0.3368 1.0937 1.0937 3.2225 3.2225 6.1927 6.1927 7.1631 7.1631 8.8366 8.8366 11.3538 11.3538 11.7707 11.7707 13.0775 13.0775 k = 0.4267 0.2464 0.4434 ( 8909 PWs) bands (ev): -38.1918 -38.1918 -38.1916 -38.1916 -13.5392 -13.5392 -13.5373 -13.5373 -12.5085 -12.5085 -12.5002 -12.5002 -12.4979 -12.4979 -1.0859 -1.0859 -1.0338 -1.0338 -0.4556 -0.4556 -0.3562 -0.3562 -0.3358 -0.3358 1.1324 1.1324 3.2618 3.2618 6.0518 6.0518 7.0898 7.0898 8.7669 8.7669 11.5091 11.5091 11.8888 11.8888 13.1360 13.1360 k = 0.4224 0.2439 0.4575 ( 8909 PWs) bands (ev): -38.1918 -38.1918 -38.1915 -38.1915 -13.5391 -13.5391 -13.5374 -13.5374 -12.5084 -12.5084 -12.5002 -12.5002 -12.4979 -12.4979 -1.0894 -1.0894 -1.0335 -1.0335 -0.4604 -0.4604 -0.3560 -0.3560 -0.3346 -0.3346 1.1712 1.1712 3.3032 3.3032 5.9156 5.9156 7.0191 7.0191 8.6973 8.6973 11.6648 11.6648 12.0067 12.0067 13.1500 13.1500 k = 0.4181 0.2414 0.4716 ( 8908 PWs) bands (ev): -38.1918 -38.1918 -38.1915 -38.1915 -13.5390 -13.5390 -13.5374 -13.5374 -12.5084 -12.5084 -12.5002 -12.5002 -12.4980 -12.4980 -1.0930 -1.0930 -1.0332 -1.0332 -0.4650 -0.4650 -0.3557 -0.3557 -0.3333 -0.3333 1.2100 1.2100 3.3464 3.3464 5.7846 5.7846 6.9513 6.9513 8.6278 8.6278 11.8198 11.8198 12.1246 12.1246 13.1270 13.1270 k = 0.4138 0.2389 0.4857 ( 8904 PWs) bands (ev): -38.1918 -38.1918 -38.1915 -38.1915 -13.5390 -13.5390 -13.5374 -13.5374 -12.5083 -12.5083 -12.5001 -12.5001 -12.4980 -12.4980 -1.0967 -1.0967 -1.0328 -1.0328 -0.4694 -0.4694 -0.3554 -0.3554 -0.3320 -0.3320 1.2483 1.2483 3.3913 3.3913 5.6595 5.6595 6.8863 6.8863 8.5587 8.5587 11.9724 11.9724 12.2431 12.2431 13.0797 13.0797 k = 0.4095 0.2364 0.4998 ( 8908 PWs) bands (ev): -38.1918 -38.1918 -38.1915 -38.1915 -13.5389 -13.5389 -13.5375 -13.5375 -12.5083 -12.5083 -12.5001 -12.5001 -12.4981 -12.4981 -1.1004 -1.1004 -1.0323 -1.0323 -0.4735 -0.4735 -0.3551 -0.3551 -0.3306 -0.3306 1.2856 1.2856 3.4376 3.4376 5.5410 5.5410 6.8242 6.8242 8.4898 8.4898 12.1195 12.1195 12.3627 12.3627 13.0198 13.0198 k = 0.4052 0.2339 0.5138 ( 8905 PWs) bands (ev): -38.1919 -38.1919 -38.1914 -38.1914 -13.5388 -13.5388 -13.5375 -13.5375 -12.5082 -12.5082 -12.5000 -12.5000 -12.4981 -12.4981 -1.1040 -1.1040 -1.0319 -1.0319 -0.4773 -0.4773 -0.3547 -0.3547 -0.3291 -0.3291 1.3217 1.3217 3.4851 3.4851 5.4299 5.4299 6.7652 6.7652 8.4215 8.4215 12.2566 12.2566 12.4838 12.4838 12.9577 12.9577 k = 0.4009 0.2314 0.5279 ( 8903 PWs) bands (ev): -38.1919 -38.1919 -38.1914 -38.1914 -13.5388 -13.5388 -13.5375 -13.5375 -12.5082 -12.5082 -12.5000 -12.5000 -12.4981 -12.4981 -1.1076 -1.1076 -1.0314 -1.0314 -0.4809 -0.4809 -0.3544 -0.3544 -0.3276 -0.3276 1.3560 1.3560 3.5333 3.5333 5.3271 5.3271 6.7093 6.7093 8.3536 8.3536 12.3756 12.3756 12.6039 12.6039 12.9064 12.9064 k = 0.3966 0.2289 0.5420 ( 8899 PWs) bands (ev): -38.1919 -38.1919 -38.1914 -38.1914 -13.5387 -13.5387 -13.5376 -13.5376 -12.5081 -12.5081 -12.5000 -12.5000 -12.4982 -12.4982 -1.1111 -1.1111 -1.0309 -1.0309 -0.4841 -0.4841 -0.3541 -0.3541 -0.3260 -0.3260 1.3880 1.3880 3.5820 3.5820 5.2335 5.2335 6.6565 6.6565 8.2864 8.2864 12.4619 12.4619 12.7097 12.7097 12.8949 12.8949 k = 0.3922 0.2265 0.5561 ( 8907 PWs) bands (ev): -38.1920 -38.1920 -38.1913 -38.1913 -13.5387 -13.5387 -13.5376 -13.5376 -12.5081 -12.5081 -12.5000 -12.5000 -12.4982 -12.4982 -1.1145 -1.1145 -1.0304 -1.0304 -0.4872 -0.4872 -0.3537 -0.3537 -0.3245 -0.3245 1.4172 1.4172 3.6305 3.6305 5.1503 5.1503 6.6068 6.6068 8.2198 8.2198 12.4927 12.4927 12.7834 12.7834 12.9621 12.9621 k = 0.3879 0.2240 0.5701 ( 8913 PWs) bands (ev): -38.1920 -38.1920 -38.1913 -38.1913 -13.5386 -13.5386 -13.5376 -13.5376 -12.5081 -12.5081 -12.5000 -12.5000 -12.4982 -12.4982 -1.1177 -1.1177 -1.0300 -1.0300 -0.4899 -0.4899 -0.3534 -0.3534 -0.3229 -0.3229 1.4429 1.4429 3.6783 3.6783 5.0786 5.0786 6.5604 6.5604 8.1539 8.1539 12.4676 12.4676 12.8546 12.8546 13.0768 13.0768 k = 0.3836 0.2215 0.5842 ( 8908 PWs) bands (ev): -38.1920 -38.1920 -38.1913 -38.1913 -13.5386 -13.5386 -13.5376 -13.5376 -12.5080 -12.5080 -12.5000 -12.5000 -12.4982 -12.4982 -1.1207 -1.1207 -1.0295 -1.0295 -0.4924 -0.4924 -0.3532 -0.3532 -0.3214 -0.3214 1.4646 1.4646 3.7248 3.7248 5.0197 5.0197 6.5173 6.5173 8.0888 8.0888 12.4132 12.4132 12.9335 12.9335 13.1976 13.1976 k = 0.3793 0.2190 0.5983 ( 8904 PWs) bands (ev): -38.1921 -38.1921 -38.1912 -38.1912 -13.5386 -13.5386 -13.5377 -13.5377 -12.5080 -12.5080 -12.5000 -12.5000 -12.4982 -12.4982 -1.1235 -1.1235 -1.0291 -1.0291 -0.4947 -0.4947 -0.3529 -0.3529 -0.3200 -0.3200 1.4816 1.4816 3.7694 3.7694 4.9747 4.9747 6.4774 6.4774 8.0246 8.0246 12.3475 12.3475 13.0126 13.0126 13.3088 13.3088 k = 0.3750 0.2165 0.6124 ( 8882 PWs) bands (ev): -38.1921 -38.1921 -38.1912 -38.1912 -13.5385 -13.5385 -13.5377 -13.5377 -12.5080 -12.5080 -12.5000 -12.5000 -12.4982 -12.4982 -1.1261 -1.1261 -1.0287 -1.0287 -0.4968 -0.4968 -0.3527 -0.3527 -0.3186 -0.3186 1.4935 1.4935 3.8116 3.8116 4.9447 4.9447 6.4409 6.4409 7.9614 7.9614 12.2781 12.2781 13.0869 13.0869 13.4025 13.4025 k = 0.6250-0.0722 0.4082 ( 8882 PWs) bands (ev): -38.1921 -38.1921 -38.1912 -38.1912 -13.5385 -13.5385 -13.5377 -13.5377 -12.5080 -12.5080 -12.5000 -12.5000 -12.4982 -12.4982 -1.1261 -1.1261 -1.0287 -1.0287 -0.4968 -0.4968 -0.3527 -0.3527 -0.3186 -0.3186 1.4935 1.4935 3.8116 3.8116 4.9447 4.9447 6.4409 6.4409 7.9614 7.9614 12.2781 12.2781 13.0869 13.0869 13.4025 13.4025 k = 0.6176-0.0849 0.4082 ( 8902 PWs) bands (ev): -38.1922 -38.1922 -38.1911 -38.1911 -13.5385 -13.5385 -13.5377 -13.5377 -12.5080 -12.5080 -12.5000 -12.5000 -12.4982 -12.4982 -1.1303 -1.1303 -1.0281 -1.0281 -0.5001 -0.5001 -0.3524 -0.3524 -0.3162 -0.3162 1.5071 1.5071 3.8856 3.8856 4.9079 4.9079 6.3830 6.3830 7.8529 7.8529 12.1590 12.1590 13.2118 13.2118 13.5454 13.5454 k = 0.6103-0.0976 0.4082 ( 8902 PWs) bands (ev): -38.1923 -38.1923 -38.1910 -38.1910 -13.5385 -13.5385 -13.5378 -13.5378 -12.5080 -12.5080 -12.5000 -12.5000 -12.4982 -12.4982 -1.1344 -1.1344 -1.0274 -1.0274 -0.5032 -0.5032 -0.3520 -0.3520 -0.3140 -0.3140 1.5174 1.5174 3.9672 3.9672 4.8733 4.8733 6.3282 6.3282 7.7415 7.7415 12.0436 12.0436 13.3416 13.3416 13.6891 13.6891 k = 0.6029-0.1104 0.4082 ( 8906 PWs) bands (ev): -38.1923 -38.1923 -38.1910 -38.1910 -13.5385 -13.5385 -13.5378 -13.5378 -12.5080 -12.5080 -12.5000 -12.5000 -12.4982 -12.4982 -1.1385 -1.1385 -1.0268 -1.0268 -0.5061 -0.5061 -0.3517 -0.3517 -0.3117 -0.3117 1.5248 1.5248 4.0558 4.0558 4.8409 4.8409 6.2767 6.2767 7.6270 7.6270 11.9342 11.9342 13.4741 13.4741 13.8329 13.8329 k = 0.5956-0.1231 0.4082 ( 8920 PWs) bands (ev): -38.1924 -38.1924 -38.1909 -38.1909 -13.5385 -13.5385 -13.5378 -13.5378 -12.5081 -12.5081 -12.5001 -12.5001 -12.4982 -12.4982 -1.1424 -1.1424 -1.0262 -1.0262 -0.5089 -0.5089 -0.3514 -0.3514 -0.3095 -0.3095 1.5298 1.5298 4.1507 4.1507 4.8108 4.8108 6.2283 6.2283 7.5097 7.5097 11.8318 11.8318 13.6078 13.6078 13.9763 13.9763 k = 0.5882-0.1358 0.4082 ( 8910 PWs) bands (ev): -38.1925 -38.1925 -38.1909 -38.1909 -13.5385 -13.5385 -13.5378 -13.5378 -12.5081 -12.5081 -12.5001 -12.5001 -12.4981 -12.4981 -1.1463 -1.1463 -1.0257 -1.0257 -0.5115 -0.5115 -0.3511 -0.3511 -0.3075 -0.3075 1.5329 1.5329 4.2513 4.2513 4.7831 4.7831 6.1833 6.1833 7.3895 7.3895 11.7368 11.7368 13.7418 13.7418 14.1188 14.1188 k = 0.5809-0.1486 0.4082 ( 8904 PWs) bands (ev): -38.1925 -38.1925 -38.1908 -38.1908 -13.5384 -13.5384 -13.5379 -13.5379 -12.5081 -12.5081 -12.5001 -12.5001 -12.4981 -12.4981 -1.1499 -1.1499 -1.0252 -1.0252 -0.5139 -0.5139 -0.3509 -0.3509 -0.3055 -0.3055 1.5344 1.5344 4.3568 4.3568 4.7579 4.7579 6.1416 6.1416 7.2668 7.2668 11.6497 11.6497 13.8750 13.8750 14.2596 14.2596 k = 0.5735-0.1613 0.4082 ( 8900 PWs) bands (ev): -38.1926 -38.1926 -38.1907 -38.1907 -13.5384 -13.5384 -13.5379 -13.5379 -12.5081 -12.5081 -12.5001 -12.5001 -12.4981 -12.4981 -1.1534 -1.1534 -1.0247 -1.0247 -0.5161 -0.5161 -0.3506 -0.3506 -0.3036 -0.3036 1.5348 1.5348 4.4662 4.4662 4.7356 4.7356 6.1032 6.1032 7.1417 7.1417 11.5703 11.5703 14.0065 14.0065 14.3981 14.3981 k = 0.5662-0.1741 0.4082 ( 8894 PWs) bands (ev): -38.1926 -38.1926 -38.1907 -38.1907 -13.5384 -13.5384 -13.5379 -13.5379 -12.5081 -12.5081 -12.5002 -12.5002 -12.4981 -12.4981 -1.1566 -1.1566 -1.0243 -1.0243 -0.5182 -0.5182 -0.3504 -0.3504 -0.3018 -0.3018 1.5343 1.5343 4.5769 4.5769 4.7185 4.7185 6.0682 6.0682 7.0145 7.0145 11.4989 11.4989 14.1350 14.1350 14.5333 14.5333 k = 0.5588-0.1868 0.4082 ( 8912 PWs) bands (ev): -38.1926 -38.1926 -38.1907 -38.1907 -13.5385 -13.5385 -13.5379 -13.5379 -12.5082 -12.5082 -12.5002 -12.5002 -12.4980 -12.4980 -1.1596 -1.1596 -1.0239 -1.0239 -0.5200 -0.5200 -0.3502 -0.3502 -0.3002 -0.3002 1.5331 1.5331 4.6629 4.6629 4.7318 4.7318 6.0365 6.0365 6.8855 6.8855 11.4353 11.4353 14.2590 14.2590 14.6643 14.6643 k = 0.5515-0.1995 0.4082 ( 8912 PWs) bands (ev): -38.1927 -38.1927 -38.1906 -38.1906 -13.5385 -13.5385 -13.5379 -13.5379 -12.5082 -12.5082 -12.5002 -12.5002 -12.4980 -12.4980 -1.1623 -1.1623 -1.0235 -1.0235 -0.5216 -0.5216 -0.3500 -0.3500 -0.2987 -0.2987 1.5317 1.5317 4.6664 4.6664 4.8328 4.8328 6.0080 6.0080 6.7554 6.7554 11.3795 11.3795 14.3768 14.3768 14.7898 14.7898 k = 0.5441-0.2123 0.4082 ( 8920 PWs) bands (ev): -38.1927 -38.1927 -38.1906 -38.1906 -13.5385 -13.5385 -13.5379 -13.5379 -12.5082 -12.5082 -12.5003 -12.5003 -12.4980 -12.4980 -1.1647 -1.1647 -1.0232 -1.0232 -0.5229 -0.5229 -0.3498 -0.3498 -0.2975 -0.2975 1.5300 1.5300 4.6550 4.6550 4.9536 4.9536 5.9826 5.9826 6.6248 6.6248 11.3314 11.3314 14.4864 14.4864 14.9080 14.9080 k = 0.5368-0.2250 0.4082 ( 8922 PWs) bands (ev): -38.1927 -38.1927 -38.1906 -38.1906 -13.5385 -13.5385 -13.5379 -13.5379 -12.5082 -12.5082 -12.5003 -12.5003 -12.4980 -12.4980 -1.1668 -1.1668 -1.0230 -1.0230 -0.5241 -0.5241 -0.3496 -0.3496 -0.2963 -0.2963 1.5284 1.5284 4.6437 4.6437 5.0782 5.0782 5.9599 5.9599 6.4947 6.4947 11.2909 11.2909 14.5853 14.5853 15.0169 15.0169 k = 0.5294-0.2377 0.4082 ( 8922 PWs) bands (ev): -38.1928 -38.1928 -38.1906 -38.1906 -13.5385 -13.5385 -13.5379 -13.5379 -12.5082 -12.5082 -12.5003 -12.5003 -12.4980 -12.4980 -1.1685 -1.1685 -1.0228 -1.0228 -0.5251 -0.5251 -0.3495 -0.3495 -0.2954 -0.2954 1.5269 1.5269 4.6341 4.6341 5.2043 5.2043 5.9389 5.9389 6.3669 6.3669 11.2579 11.2579 14.6712 14.6712 15.1137 15.1137 k = 0.5221-0.2505 0.4082 ( 8930 PWs) bands (ev): -38.1928 -38.1928 -38.1905 -38.1905 -13.5385 -13.5385 -13.5379 -13.5379 -12.5083 -12.5083 -12.5003 -12.5003 -12.4980 -12.4980 -1.1699 -1.1699 -1.0226 -1.0226 -0.5258 -0.5258 -0.3494 -0.3494 -0.2947 -0.2947 1.5256 1.5256 4.6265 4.6265 5.3300 5.3300 5.9172 5.9172 6.2453 6.2453 11.2323 11.2323 14.7415 14.7415 15.1952 15.1952 k = 0.5147-0.2632 0.4082 ( 8930 PWs) bands (ev): -38.1928 -38.1928 -38.1905 -38.1905 -13.5385 -13.5385 -13.5379 -13.5379 -12.5083 -12.5083 -12.5003 -12.5003 -12.4980 -12.4980 -1.1709 -1.1709 -1.0225 -1.0225 -0.5264 -0.5264 -0.3494 -0.3494 -0.2942 -0.2942 1.5246 1.5246 4.6211 4.6211 5.4523 5.4523 5.8890 5.8890 6.1388 6.1388 11.2141 11.2141 14.7937 14.7937 15.2576 15.2576 k = 0.5074-0.2759 0.4082 ( 8924 PWs) bands (ev): -38.1928 -38.1928 -38.1905 -38.1905 -13.5385 -13.5385 -13.5379 -13.5379 -12.5083 -12.5083 -12.5003 -12.5003 -12.4980 -12.4980 -1.1714 -1.1714 -1.0224 -1.0224 -0.5267 -0.5267 -0.3493 -0.3493 -0.2938 -0.2938 1.5240 1.5240 4.6178 4.6178 5.5619 5.5619 5.8449 5.8449 6.0658 6.0658 11.2033 11.2033 14.8259 14.8259 15.2970 15.2970 k = 0.5000-0.2887 0.4082 ( 8904 PWs) bands (ev): -38.1928 -38.1928 -38.1905 -38.1905 -13.5385 -13.5385 -13.5379 -13.5379 -12.5083 -12.5083 -12.5003 -12.5003 -12.4980 -12.4980 -1.1716 -1.1716 -1.0224 -1.0224 -0.5268 -0.5268 -0.3493 -0.3493 -0.2937 -0.2937 1.5238 1.5238 4.6167 4.6167 5.6190 5.6190 5.8097 5.8097 6.0414 6.0414 11.1996 11.1996 14.8368 14.8368 15.3105 15.3105 Writing output data file Li2CdSn.save init_run : 0.77s CPU 1.13s WALL ( 1 calls) electrons : 163.30s CPU 166.37s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.13s WALL ( 1 calls) potinit : 0.03s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 163.29s CPU 166.37s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.12s CPU 0.16s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.11s WALL ( 315 calls) cegterg : 145.04s CPU 146.46s WALL ( 367 calls) Called by sum_band: Called by *egterg: h_psi : 108.10s CPU 109.38s WALL ( 6200 calls) s_psi : 4.14s CPU 4.05s WALL ( 6200 calls) g_psi : 0.35s CPU 0.33s WALL ( 5518 calls) cdiaghg : 28.99s CPU 29.39s WALL ( 5833 calls) cegterg:over : 6.15s CPU 6.13s WALL ( 5518 calls) cegterg:upda : 6.40s CPU 6.53s WALL ( 5518 calls) cegterg:last : 3.60s CPU 3.59s WALL ( 1005 calls) cdiaghg:chol : 1.55s CPU 1.73s WALL ( 5833 calls) cdiaghg:inve : 0.92s CPU 0.90s WALL ( 5833 calls) cdiaghg:para : 1.63s CPU 1.67s WALL ( 11666 calls) Called by h_psi: h_psi:vloc : 100.16s CPU 101.46s WALL ( 6200 calls) h_psi:vnl : 7.62s CPU 7.58s WALL ( 6200 calls) add_vuspsi : 3.56s CPU 3.62s WALL ( 6200 calls) General routines calbec : 4.05s CPU 3.94s WALL ( 6200 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 93.84s CPU 95.43s WALL ( 544564 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.27s CPU 0.39s WALL ( 630 calls) Parallel routines fft_scatter : 29.82s CPU 30.49s WALL ( 544587 calls) PWSCF : 3m 3.92s CPU 3m24.49s WALL This run was terminated on: 16:56:39 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=