Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:41:29 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: ./HfB2.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S 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 21 12 4 548 241 42 Max 23 13 5 554 253 46 Sum 793 463 151 19789 8999 1583 bravais-lattice index = 14 lattice parameter (alat) = 5.9337 a.u. unit-cell volume = 200.5237 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.933740 celldm(2)= 1.000000 celldm(3)= 1.108280 celldm(4)= 0.000000 celldm(5)= 0.000000 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) = ( 0.000000 0.000000 1.108280 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.902299 ) PseudoPot. # 1 for Hf read from file: /users/gautes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 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 1271 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 B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 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 Hf 12.00 178.49000 Hf( 1.00) B 3.00 10.81100 B( 1.00) 24 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 [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 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 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 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 = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(23) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(23) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 24 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(24) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(24) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_6h(6/mmm) there are 18 classes and 6 irreducible representations the character table: E -E 2C6 -2C6 2C3 -2C3 C2 3C2' 3C2'' i -i 2S3 -C2 -3C2' -3C2' G_7+ 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 1.73 G_8+ 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 -1.73 G_9+ 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 2.00 -2.00 0.00 G_7- 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 -1.73 G_8- 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 1.73 G_9- 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 -2.00 2.00 0.00 -2S3 2S6 -2S6 s_h 3s_v 3s_d -s_h -3s_v -3s_d G_7+ -1.73 1.00 -1.00 0.00 0.00 0.00 G_8+ 1.73 1.00 -1.00 0.00 0.00 0.00 G_9+ 0.00 -2.00 2.00 0.00 0.00 0.00 G_7- 1.73 -1.00 1.00 0.00 0.00 0.00 G_8- -1.73 -1.00 1.00 0.00 0.00 0.00 G_9- 0.00 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C6 5 6 60 deg rotation - cryst. axis [0,0,1] -2C6 -5 -6 60 deg rotation - cryst. axis [0,0,1] E 2C3 7 8 120 deg rotation - cryst. axis [0,0,1] -2C3 -7 -8 120 deg rotation - cryst. axis [0,0,1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 3C2'-3C2' 4 -4 12 -11 11 -12 180 deg rotation - cart. axis [1,0,0] 3C2''-3C2' 3 -3 9 10 -10 -9 180 deg rotation - cart. axis [0,1,0] i 13 inversion -i -13 inversion E 2S3 17 18 inv. 60 deg rotation - cryst. axis [0,0,1] -2S3 -17 -18 inv. 60 deg rotation - cryst. axis [0,0,1] E 2S6 19 20 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -19 -20 inv. 120 deg rotation - cryst. axis [0,0,1] E s_h -s_h 14 -14 inv. 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 16 -16 24 -23 23 -24 inv. 180 deg rotation - cart. axis [1,0,0] 3s_d-3s_d 15 -15 21 22 -22 -21 inv. 180 deg rotation - cart. axis [0,1,0] Cartesian axes number of k points= 465 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021505 k( 2) = ( 0.0086207 0.0049772 -0.0000000), wk = 0.0021505 k( 3) = ( 0.0172414 0.0099543 -0.0000000), wk = 0.0021505 k( 4) = ( 0.0258621 0.0149315 -0.0000000), wk = 0.0021505 k( 5) = ( 0.0344828 0.0199086 -0.0000000), wk = 0.0021505 k( 6) = ( 0.0431035 0.0248858 -0.0000000), wk = 0.0021505 k( 7) = ( 0.0517241 0.0298629 -0.0000000), wk = 0.0021505 k( 8) = ( 0.0603448 0.0348401 -0.0000000), wk = 0.0021505 k( 9) = ( 0.0689655 0.0398173 -0.0000000), wk = 0.0021505 k( 10) = ( 0.0775862 0.0447944 -0.0000000), wk = 0.0021505 k( 11) = ( 0.0862069 0.0497716 -0.0000000), wk = 0.0021505 k( 12) = ( 0.0948276 0.0547487 -0.0000000), wk = 0.0021505 k( 13) = ( 0.1034483 0.0597259 -0.0000000), wk = 0.0021505 k( 14) = ( 0.1120690 0.0647030 -0.0000000), wk = 0.0021505 k( 15) = ( 0.1206897 0.0696802 -0.0000000), wk = 0.0021505 k( 16) = ( 0.1293103 0.0746574 -0.0000000), wk = 0.0021505 k( 17) = ( 0.1379310 0.0796345 -0.0000000), wk = 0.0021505 k( 18) = ( 0.1465517 0.0846117 -0.0000000), wk = 0.0021505 k( 19) = ( 0.1551724 0.0895888 -0.0000000), wk = 0.0021505 k( 20) = ( 0.1637931 0.0945660 -0.0000000), wk = 0.0021505 k( 21) = ( 0.1724138 0.0995431 -0.0000000), wk = 0.0021505 k( 22) = ( 0.1810345 0.1045203 -0.0000000), wk = 0.0021505 k( 23) = ( 0.1896552 0.1094975 -0.0000000), wk = 0.0021505 k( 24) = ( 0.1982759 0.1144746 -0.0000000), wk = 0.0021505 k( 25) = ( 0.2068966 0.1194518 -0.0000000), wk = 0.0021505 k( 26) = ( 0.2155172 0.1244289 -0.0000000), wk = 0.0021505 k( 27) = ( 0.2241379 0.1294061 -0.0000000), wk = 0.0021505 k( 28) = ( 0.2327586 0.1343833 -0.0000000), wk = 0.0021505 k( 29) = ( 0.2413793 0.1393604 -0.0000000), wk = 0.0021505 k( 30) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0021505 k( 31) = ( 0.2586207 0.1493147 -0.0000000), wk = 0.0021505 k( 32) = ( 0.2672414 0.1542919 -0.0000000), wk = 0.0021505 k( 33) = ( 0.2758621 0.1592690 -0.0000000), wk = 0.0021505 k( 34) = ( 0.2844828 0.1642462 -0.0000000), wk = 0.0021505 k( 35) = ( 0.2931034 0.1692234 -0.0000000), wk = 0.0021505 k( 36) = ( 0.3017241 0.1742005 -0.0000000), wk = 0.0021505 k( 37) = ( 0.3103448 0.1791777 -0.0000000), wk = 0.0021505 k( 38) = ( 0.3189655 0.1841548 -0.0000000), wk = 0.0021505 k( 39) = ( 0.3275862 0.1891320 -0.0000000), wk = 0.0021505 k( 40) = ( 0.3362069 0.1941091 -0.0000000), wk = 0.0021505 k( 41) = ( 0.3448276 0.1990863 -0.0000000), wk = 0.0021505 k( 42) = ( 0.3534483 0.2040635 -0.0000000), wk = 0.0021505 k( 43) = ( 0.3620690 0.2090406 -0.0000000), wk = 0.0021505 k( 44) = ( 0.3706897 0.2140178 -0.0000000), wk = 0.0021505 k( 45) = ( 0.3793103 0.2189949 -0.0000000), wk = 0.0021505 k( 46) = ( 0.3879310 0.2239721 -0.0000000), wk = 0.0021505 k( 47) = ( 0.3965517 0.2289492 -0.0000000), wk = 0.0021505 k( 48) = ( 0.4051724 0.2339264 -0.0000000), wk = 0.0021505 k( 49) = ( 0.4137931 0.2389036 -0.0000000), wk = 0.0021505 k( 50) = ( 0.4224138 0.2438807 -0.0000000), wk = 0.0021505 k( 51) = ( 0.4310345 0.2488579 -0.0000000), wk = 0.0021505 k( 52) = ( 0.4396552 0.2538350 -0.0000000), wk = 0.0021505 k( 53) = ( 0.4482759 0.2588122 -0.0000000), wk = 0.0021505 k( 54) = ( 0.4568966 0.2637893 -0.0000000), wk = 0.0021505 k( 55) = ( 0.4655172 0.2687665 -0.0000000), wk = 0.0021505 k( 56) = ( 0.4741379 0.2737437 -0.0000000), wk = 0.0021505 k( 57) = ( 0.4827586 0.2787208 -0.0000000), wk = 0.0021505 k( 58) = ( 0.4913793 0.2836980 -0.0000000), wk = 0.0021505 k( 59) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0021505 k( 60) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0021505 k( 61) = ( 0.4950980 0.2971656 -0.0000000), wk = 0.0021505 k( 62) = ( 0.4901961 0.3056560 -0.0000000), wk = 0.0021505 k( 63) = ( 0.4852941 0.3141465 -0.0000000), wk = 0.0021505 k( 64) = ( 0.4803922 0.3226369 -0.0000000), wk = 0.0021505 k( 65) = ( 0.4754902 0.3311274 -0.0000000), wk = 0.0021505 k( 66) = ( 0.4705882 0.3396178 -0.0000000), wk = 0.0021505 k( 67) = ( 0.4656863 0.3481082 -0.0000000), wk = 0.0021505 k( 68) = ( 0.4607843 0.3565987 -0.0000000), wk = 0.0021505 k( 69) = ( 0.4558823 0.3650891 -0.0000000), wk = 0.0021505 k( 70) = ( 0.4509804 0.3735796 -0.0000000), wk = 0.0021505 k( 71) = ( 0.4460784 0.3820700 -0.0000000), wk = 0.0021505 k( 72) = ( 0.4411765 0.3905605 -0.0000000), wk = 0.0021505 k( 73) = ( 0.4362745 0.3990509 -0.0000000), wk = 0.0021505 k( 74) = ( 0.4313726 0.4075414 -0.0000000), wk = 0.0021505 k( 75) = ( 0.4264706 0.4160318 -0.0000000), wk = 0.0021505 k( 76) = ( 0.4215686 0.4245223 -0.0000000), wk = 0.0021505 k( 77) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0021505 k( 78) = ( 0.4117647 0.4415032 -0.0000000), wk = 0.0021505 k( 79) = ( 0.4068627 0.4499936 -0.0000000), wk = 0.0021505 k( 80) = ( 0.4019608 0.4584840 -0.0000000), wk = 0.0021505 k( 81) = ( 0.3970588 0.4669745 -0.0000000), wk = 0.0021505 k( 82) = ( 0.3921569 0.4754649 -0.0000000), wk = 0.0021505 k( 83) = ( 0.3872549 0.4839554 -0.0000000), wk = 0.0021505 k( 84) = ( 0.3823529 0.4924458 -0.0000000), wk = 0.0021505 k( 85) = ( 0.3774510 0.5009363 -0.0000000), wk = 0.0021505 k( 86) = ( 0.3725490 0.5094267 -0.0000000), wk = 0.0021505 k( 87) = ( 0.3676471 0.5179172 -0.0000000), wk = 0.0021505 k( 88) = ( 0.3627451 0.5264076 -0.0000000), wk = 0.0021505 k( 89) = ( 0.3578431 0.5348981 -0.0000000), wk = 0.0021505 k( 90) = ( 0.3529412 0.5433885 -0.0000000), wk = 0.0021505 k( 91) = ( 0.3480392 0.5518789 -0.0000000), wk = 0.0021505 k( 92) = ( 0.3431373 0.5603694 -0.0000000), wk = 0.0021505 k( 93) = ( 0.3382353 0.5688598 -0.0000000), wk = 0.0021505 k( 94) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0021505 k( 95) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0021505 k( 96) = ( 0.3283582 0.5687331 -0.0000000), wk = 0.0021505 k( 97) = ( 0.3233831 0.5601159 -0.0000000), wk = 0.0021505 k( 98) = ( 0.3184080 0.5514988 -0.0000000), wk = 0.0021505 k( 99) = ( 0.3134328 0.5428816 -0.0000000), wk = 0.0021505 k( 100) = ( 0.3084577 0.5342644 -0.0000000), wk = 0.0021505 k( 101) = ( 0.3034826 0.5256473 -0.0000000), wk = 0.0021505 k( 102) = ( 0.2985075 0.5170301 -0.0000000), wk = 0.0021505 k( 103) = ( 0.2935323 0.5084129 -0.0000000), wk = 0.0021505 k( 104) = ( 0.2885572 0.4997957 -0.0000000), wk = 0.0021505 k( 105) = ( 0.2835821 0.4911786 -0.0000000), wk = 0.0021505 k( 106) = ( 0.2786070 0.4825614 -0.0000000), wk = 0.0021505 k( 107) = ( 0.2736318 0.4739442 -0.0000000), wk = 0.0021505 k( 108) = ( 0.2686567 0.4653271 -0.0000000), wk = 0.0021505 k( 109) = ( 0.2636816 0.4567099 -0.0000000), wk = 0.0021505 k( 110) = ( 0.2587065 0.4480928 -0.0000000), wk = 0.0021505 k( 111) = ( 0.2537313 0.4394756 -0.0000000), wk = 0.0021505 k( 112) = ( 0.2487562 0.4308584 -0.0000000), wk = 0.0021505 k( 113) = ( 0.2437811 0.4222412 -0.0000000), wk = 0.0021505 k( 114) = ( 0.2388060 0.4136241 -0.0000000), wk = 0.0021505 k( 115) = ( 0.2338309 0.4050069 -0.0000000), wk = 0.0021505 k( 116) = ( 0.2288557 0.3963897 -0.0000000), wk = 0.0021505 k( 117) = ( 0.2238806 0.3877726 -0.0000000), wk = 0.0021505 k( 118) = ( 0.2189055 0.3791554 -0.0000000), wk = 0.0021505 k( 119) = ( 0.2139303 0.3705382 -0.0000000), wk = 0.0021505 k( 120) = ( 0.2089552 0.3619211 -0.0000000), wk = 0.0021505 k( 121) = ( 0.2039801 0.3533039 -0.0000000), wk = 0.0021505 k( 122) = ( 0.1990050 0.3446867 -0.0000000), wk = 0.0021505 k( 123) = ( 0.1940299 0.3360696 -0.0000000), wk = 0.0021505 k( 124) = ( 0.1890547 0.3274524 -0.0000000), wk = 0.0021505 k( 125) = ( 0.1840796 0.3188352 -0.0000000), wk = 0.0021505 k( 126) = ( 0.1791045 0.3102181 -0.0000000), wk = 0.0021505 k( 127) = ( 0.1741293 0.3016009 -0.0000000), wk = 0.0021505 k( 128) = ( 0.1691542 0.2929837 -0.0000000), wk = 0.0021505 k( 129) = ( 0.1641791 0.2843665 -0.0000000), wk = 0.0021505 k( 130) = ( 0.1592040 0.2757494 -0.0000000), wk = 0.0021505 k( 131) = ( 0.1542289 0.2671322 -0.0000000), wk = 0.0021505 k( 132) = ( 0.1492537 0.2585150 -0.0000000), wk = 0.0021505 k( 133) = ( 0.1442786 0.2498979 -0.0000000), wk = 0.0021505 k( 134) = ( 0.1393035 0.2412807 -0.0000000), wk = 0.0021505 k( 135) = ( 0.1343284 0.2326635 -0.0000000), wk = 0.0021505 k( 136) = ( 0.1293532 0.2240464 -0.0000000), wk = 0.0021505 k( 137) = ( 0.1243781 0.2154292 -0.0000000), wk = 0.0021505 k( 138) = ( 0.1194030 0.2068120 -0.0000000), wk = 0.0021505 k( 139) = ( 0.1144279 0.1981949 -0.0000000), wk = 0.0021505 k( 140) = ( 0.1094527 0.1895777 -0.0000000), wk = 0.0021505 k( 141) = ( 0.1044776 0.1809605 -0.0000000), wk = 0.0021505 k( 142) = ( 0.0995025 0.1723434 -0.0000000), wk = 0.0021505 k( 143) = ( 0.0945274 0.1637262 -0.0000000), wk = 0.0021505 k( 144) = ( 0.0895522 0.1551090 -0.0000000), wk = 0.0021505 k( 145) = ( 0.0845771 0.1464919 -0.0000000), wk = 0.0021505 k( 146) = ( 0.0796020 0.1378747 -0.0000000), wk = 0.0021505 k( 147) = ( 0.0746269 0.1292575 -0.0000000), wk = 0.0021505 k( 148) = ( 0.0696517 0.1206404 -0.0000000), wk = 0.0021505 k( 149) = ( 0.0646766 0.1120232 -0.0000000), wk = 0.0021505 k( 150) = ( 0.0597015 0.1034060 -0.0000000), wk = 0.0021505 k( 151) = ( 0.0547264 0.0947889 -0.0000000), wk = 0.0021505 k( 152) = ( 0.0497512 0.0861717 -0.0000000), wk = 0.0021505 k( 153) = ( 0.0447761 0.0775545 -0.0000000), wk = 0.0021505 k( 154) = ( 0.0398010 0.0689374 -0.0000000), wk = 0.0021505 k( 155) = ( 0.0348259 0.0603202 -0.0000000), wk = 0.0021505 k( 156) = ( 0.0298507 0.0517030 -0.0000000), wk = 0.0021505 k( 157) = ( 0.0248756 0.0430858 -0.0000000), wk = 0.0021505 k( 158) = ( 0.0199005 0.0344687 -0.0000000), wk = 0.0021505 k( 159) = ( 0.0149254 0.0258515 -0.0000000), wk = 0.0021505 k( 160) = ( 0.0099503 0.0172343 -0.0000000), wk = 0.0021505 k( 161) = ( 0.0049751 0.0086172 -0.0000000), wk = 0.0021505 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021505 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021505 k( 164) = ( 0.0000000 0.0000000 0.0098076), wk = 0.0021505 k( 165) = ( 0.0000000 0.0000000 0.0196152), wk = 0.0021505 k( 166) = ( 0.0000000 0.0000000 0.0294228), wk = 0.0021505 k( 167) = ( 0.0000000 0.0000000 0.0392304), wk = 0.0021505 k( 168) = ( 0.0000000 0.0000000 0.0490380), wk = 0.0021505 k( 169) = ( 0.0000000 0.0000000 0.0588456), wk = 0.0021505 k( 170) = ( 0.0000000 0.0000000 0.0686532), wk = 0.0021505 k( 171) = ( 0.0000000 0.0000000 0.0784608), wk = 0.0021505 k( 172) = ( 0.0000000 0.0000000 0.0882684), wk = 0.0021505 k( 173) = ( 0.0000000 0.0000000 0.0980760), wk = 0.0021505 k( 174) = ( 0.0000000 0.0000000 0.1078836), wk = 0.0021505 k( 175) = ( 0.0000000 0.0000000 0.1176912), wk = 0.0021505 k( 176) = ( 0.0000000 0.0000000 0.1274988), wk = 0.0021505 k( 177) = ( 0.0000000 0.0000000 0.1373063), wk = 0.0021505 k( 178) = ( 0.0000000 0.0000000 0.1471139), wk = 0.0021505 k( 179) = ( 0.0000000 0.0000000 0.1569215), wk = 0.0021505 k( 180) = ( 0.0000000 0.0000000 0.1667291), wk = 0.0021505 k( 181) = ( 0.0000000 0.0000000 0.1765367), wk = 0.0021505 k( 182) = ( 0.0000000 0.0000000 0.1863443), wk = 0.0021505 k( 183) = ( 0.0000000 0.0000000 0.1961519), wk = 0.0021505 k( 184) = ( 0.0000000 0.0000000 0.2059595), wk = 0.0021505 k( 185) = ( 0.0000000 0.0000000 0.2157671), wk = 0.0021505 k( 186) = ( 0.0000000 0.0000000 0.2255747), wk = 0.0021505 k( 187) = ( 0.0000000 0.0000000 0.2353823), wk = 0.0021505 k( 188) = ( 0.0000000 0.0000000 0.2451899), wk = 0.0021505 k( 189) = ( 0.0000000 0.0000000 0.2549975), wk = 0.0021505 k( 190) = ( 0.0000000 0.0000000 0.2648051), wk = 0.0021505 k( 191) = ( 0.0000000 0.0000000 0.2746127), wk = 0.0021505 k( 192) = ( 0.0000000 0.0000000 0.2844203), wk = 0.0021505 k( 193) = ( 0.0000000 0.0000000 0.2942279), wk = 0.0021505 k( 194) = ( 0.0000000 0.0000000 0.3040355), wk = 0.0021505 k( 195) = ( 0.0000000 0.0000000 0.3138431), wk = 0.0021505 k( 196) = ( 0.0000000 0.0000000 0.3236507), wk = 0.0021505 k( 197) = ( 0.0000000 0.0000000 0.3334583), wk = 0.0021505 k( 198) = ( 0.0000000 0.0000000 0.3432659), wk = 0.0021505 k( 199) = ( 0.0000000 0.0000000 0.3530735), wk = 0.0021505 k( 200) = ( 0.0000000 0.0000000 0.3628811), wk = 0.0021505 k( 201) = ( 0.0000000 0.0000000 0.3726887), wk = 0.0021505 k( 202) = ( 0.0000000 0.0000000 0.3824962), wk = 0.0021505 k( 203) = ( 0.0000000 0.0000000 0.3923038), wk = 0.0021505 k( 204) = ( 0.0000000 0.0000000 0.4021114), wk = 0.0021505 k( 205) = ( 0.0000000 0.0000000 0.4119190), wk = 0.0021505 k( 206) = ( 0.0000000 0.0000000 0.4217266), wk = 0.0021505 k( 207) = ( 0.0000000 0.0000000 0.4315342), wk = 0.0021505 k( 208) = ( 0.0000000 0.0000000 0.4413418), wk = 0.0021505 k( 209) = ( 0.0000000 0.0000000 0.4511494), wk = 0.0021505 k( 210) = ( 0.0000000 0.0000000 0.4511494), wk = 0.0021505 k( 211) = ( 0.0086207 0.0049772 0.4511494), wk = 0.0021505 k( 212) = ( 0.0172414 0.0099543 0.4511494), wk = 0.0021505 k( 213) = ( 0.0258621 0.0149315 0.4511494), wk = 0.0021505 k( 214) = ( 0.0344828 0.0199086 0.4511494), wk = 0.0021505 k( 215) = ( 0.0431035 0.0248858 0.4511494), wk = 0.0021505 k( 216) = ( 0.0517241 0.0298629 0.4511494), wk = 0.0021505 k( 217) = ( 0.0603448 0.0348401 0.4511494), wk = 0.0021505 k( 218) = ( 0.0689655 0.0398173 0.4511494), wk = 0.0021505 k( 219) = ( 0.0775862 0.0447944 0.4511494), wk = 0.0021505 k( 220) = ( 0.0862069 0.0497716 0.4511494), wk = 0.0021505 k( 221) = ( 0.0948276 0.0547487 0.4511494), wk = 0.0021505 k( 222) = ( 0.1034483 0.0597259 0.4511494), wk = 0.0021505 k( 223) = ( 0.1120690 0.0647030 0.4511494), wk = 0.0021505 k( 224) = ( 0.1206897 0.0696802 0.4511494), wk = 0.0021505 k( 225) = ( 0.1293103 0.0746574 0.4511494), wk = 0.0021505 k( 226) = ( 0.1379310 0.0796345 0.4511494), wk = 0.0021505 k( 227) = ( 0.1465517 0.0846117 0.4511494), wk = 0.0021505 k( 228) = ( 0.1551724 0.0895888 0.4511494), wk = 0.0021505 k( 229) = ( 0.1637931 0.0945660 0.4511494), wk = 0.0021505 k( 230) = ( 0.1724138 0.0995431 0.4511494), wk = 0.0021505 k( 231) = ( 0.1810345 0.1045203 0.4511494), wk = 0.0021505 k( 232) = ( 0.1896552 0.1094975 0.4511494), wk = 0.0021505 k( 233) = ( 0.1982759 0.1144746 0.4511494), wk = 0.0021505 k( 234) = ( 0.2068966 0.1194518 0.4511494), wk = 0.0021505 k( 235) = ( 0.2155172 0.1244289 0.4511494), wk = 0.0021505 k( 236) = ( 0.2241379 0.1294061 0.4511494), wk = 0.0021505 k( 237) = ( 0.2327586 0.1343833 0.4511494), wk = 0.0021505 k( 238) = ( 0.2413793 0.1393604 0.4511494), wk = 0.0021505 k( 239) = ( 0.2500000 0.1443376 0.4511494), wk = 0.0021505 k( 240) = ( 0.2586207 0.1493147 0.4511494), wk = 0.0021505 k( 241) = ( 0.2672414 0.1542919 0.4511494), wk = 0.0021505 k( 242) = ( 0.2758621 0.1592690 0.4511494), wk = 0.0021505 k( 243) = ( 0.2844828 0.1642462 0.4511494), wk = 0.0021505 k( 244) = ( 0.2931034 0.1692234 0.4511494), wk = 0.0021505 k( 245) = ( 0.3017241 0.1742005 0.4511494), wk = 0.0021505 k( 246) = ( 0.3103448 0.1791777 0.4511494), wk = 0.0021505 k( 247) = ( 0.3189655 0.1841548 0.4511494), wk = 0.0021505 k( 248) = ( 0.3275862 0.1891320 0.4511494), wk = 0.0021505 k( 249) = ( 0.3362069 0.1941091 0.4511494), wk = 0.0021505 k( 250) = ( 0.3448276 0.1990863 0.4511494), wk = 0.0021505 k( 251) = ( 0.3534483 0.2040635 0.4511494), wk = 0.0021505 k( 252) = ( 0.3620690 0.2090406 0.4511494), wk = 0.0021505 k( 253) = ( 0.3706897 0.2140178 0.4511494), wk = 0.0021505 k( 254) = ( 0.3793103 0.2189949 0.4511494), wk = 0.0021505 k( 255) = ( 0.3879310 0.2239721 0.4511494), wk = 0.0021505 k( 256) = ( 0.3965517 0.2289492 0.4511494), wk = 0.0021505 k( 257) = ( 0.4051724 0.2339264 0.4511494), wk = 0.0021505 k( 258) = ( 0.4137931 0.2389036 0.4511494), wk = 0.0021505 k( 259) = ( 0.4224138 0.2438807 0.4511494), wk = 0.0021505 k( 260) = ( 0.4310345 0.2488579 0.4511494), wk = 0.0021505 k( 261) = ( 0.4396552 0.2538350 0.4511494), wk = 0.0021505 k( 262) = ( 0.4482759 0.2588122 0.4511494), wk = 0.0021505 k( 263) = ( 0.4568966 0.2637893 0.4511494), wk = 0.0021505 k( 264) = ( 0.4655172 0.2687665 0.4511494), wk = 0.0021505 k( 265) = ( 0.4741379 0.2737437 0.4511494), wk = 0.0021505 k( 266) = ( 0.4827586 0.2787208 0.4511494), wk = 0.0021505 k( 267) = ( 0.4913793 0.2836980 0.4511494), wk = 0.0021505 k( 268) = ( 0.5000000 0.2886751 0.4511494), wk = 0.0021505 k( 269) = ( 0.5000000 0.2886751 0.4511494), wk = 0.0021505 k( 270) = ( 0.4950980 0.2971656 0.4511494), wk = 0.0021505 k( 271) = ( 0.4901961 0.3056560 0.4511494), wk = 0.0021505 k( 272) = ( 0.4852941 0.3141465 0.4511494), wk = 0.0021505 k( 273) = ( 0.4803922 0.3226369 0.4511494), wk = 0.0021505 k( 274) = ( 0.4754902 0.3311274 0.4511494), wk = 0.0021505 k( 275) = ( 0.4705882 0.3396178 0.4511494), wk = 0.0021505 k( 276) = ( 0.4656863 0.3481082 0.4511494), wk = 0.0021505 k( 277) = ( 0.4607843 0.3565987 0.4511494), wk = 0.0021505 k( 278) = ( 0.4558823 0.3650891 0.4511494), wk = 0.0021505 k( 279) = ( 0.4509804 0.3735796 0.4511494), wk = 0.0021505 k( 280) = ( 0.4460784 0.3820700 0.4511494), wk = 0.0021505 k( 281) = ( 0.4411765 0.3905605 0.4511494), wk = 0.0021505 k( 282) = ( 0.4362745 0.3990509 0.4511494), wk = 0.0021505 k( 283) = ( 0.4313726 0.4075414 0.4511494), wk = 0.0021505 k( 284) = ( 0.4264706 0.4160318 0.4511494), wk = 0.0021505 k( 285) = ( 0.4215686 0.4245223 0.4511494), wk = 0.0021505 k( 286) = ( 0.4166667 0.4330127 0.4511494), wk = 0.0021505 k( 287) = ( 0.4117647 0.4415032 0.4511494), wk = 0.0021505 k( 288) = ( 0.4068627 0.4499936 0.4511494), wk = 0.0021505 k( 289) = ( 0.4019608 0.4584840 0.4511494), wk = 0.0021505 k( 290) = ( 0.3970588 0.4669745 0.4511494), wk = 0.0021505 k( 291) = ( 0.3921569 0.4754649 0.4511494), wk = 0.0021505 k( 292) = ( 0.3872549 0.4839554 0.4511494), wk = 0.0021505 k( 293) = ( 0.3823529 0.4924458 0.4511494), wk = 0.0021505 k( 294) = ( 0.3774510 0.5009363 0.4511494), wk = 0.0021505 k( 295) = ( 0.3725490 0.5094267 0.4511494), wk = 0.0021505 k( 296) = ( 0.3676471 0.5179172 0.4511494), wk = 0.0021505 k( 297) = ( 0.3627451 0.5264076 0.4511494), wk = 0.0021505 k( 298) = ( 0.3578431 0.5348981 0.4511494), wk = 0.0021505 k( 299) = ( 0.3529412 0.5433885 0.4511494), wk = 0.0021505 k( 300) = ( 0.3480392 0.5518789 0.4511494), wk = 0.0021505 k( 301) = ( 0.3431373 0.5603694 0.4511494), wk = 0.0021505 k( 302) = ( 0.3382353 0.5688598 0.4511494), wk = 0.0021505 k( 303) = ( 0.3333333 0.5773503 0.4511494), wk = 0.0021505 k( 304) = ( 0.3333333 0.5773503 0.4511494), wk = 0.0021505 k( 305) = ( 0.3283582 0.5687331 0.4511494), wk = 0.0021505 k( 306) = ( 0.3233831 0.5601159 0.4511494), wk = 0.0021505 k( 307) = ( 0.3184080 0.5514988 0.4511494), wk = 0.0021505 k( 308) = ( 0.3134328 0.5428816 0.4511494), wk = 0.0021505 k( 309) = ( 0.3084577 0.5342644 0.4511494), wk = 0.0021505 k( 310) = ( 0.3034826 0.5256473 0.4511494), wk = 0.0021505 k( 311) = ( 0.2985075 0.5170301 0.4511494), wk = 0.0021505 k( 312) = ( 0.2935323 0.5084129 0.4511494), wk = 0.0021505 k( 313) = ( 0.2885572 0.4997957 0.4511494), wk = 0.0021505 k( 314) = ( 0.2835821 0.4911786 0.4511494), wk = 0.0021505 k( 315) = ( 0.2786070 0.4825614 0.4511494), wk = 0.0021505 k( 316) = ( 0.2736318 0.4739442 0.4511494), wk = 0.0021505 k( 317) = ( 0.2686567 0.4653271 0.4511494), wk = 0.0021505 k( 318) = ( 0.2636816 0.4567099 0.4511494), wk = 0.0021505 k( 319) = ( 0.2587065 0.4480928 0.4511494), wk = 0.0021505 k( 320) = ( 0.2537313 0.4394756 0.4511494), wk = 0.0021505 k( 321) = ( 0.2487562 0.4308584 0.4511494), wk = 0.0021505 k( 322) = ( 0.2437811 0.4222412 0.4511494), wk = 0.0021505 k( 323) = ( 0.2388060 0.4136241 0.4511494), wk = 0.0021505 k( 324) = ( 0.2338309 0.4050069 0.4511494), wk = 0.0021505 k( 325) = ( 0.2288557 0.3963897 0.4511494), wk = 0.0021505 k( 326) = ( 0.2238806 0.3877726 0.4511494), wk = 0.0021505 k( 327) = ( 0.2189055 0.3791554 0.4511494), wk = 0.0021505 k( 328) = ( 0.2139303 0.3705382 0.4511494), wk = 0.0021505 k( 329) = ( 0.2089552 0.3619211 0.4511494), wk = 0.0021505 k( 330) = ( 0.2039801 0.3533039 0.4511494), wk = 0.0021505 k( 331) = ( 0.1990050 0.3446867 0.4511494), wk = 0.0021505 k( 332) = ( 0.1940299 0.3360696 0.4511494), wk = 0.0021505 k( 333) = ( 0.1890547 0.3274524 0.4511494), wk = 0.0021505 k( 334) = ( 0.1840796 0.3188352 0.4511494), wk = 0.0021505 k( 335) = ( 0.1791045 0.3102181 0.4511494), wk = 0.0021505 k( 336) = ( 0.1741293 0.3016009 0.4511494), wk = 0.0021505 k( 337) = ( 0.1691542 0.2929837 0.4511494), wk = 0.0021505 k( 338) = ( 0.1641791 0.2843665 0.4511494), wk = 0.0021505 k( 339) = ( 0.1592040 0.2757494 0.4511494), wk = 0.0021505 k( 340) = ( 0.1542289 0.2671322 0.4511494), wk = 0.0021505 k( 341) = ( 0.1492537 0.2585150 0.4511494), wk = 0.0021505 k( 342) = ( 0.1442786 0.2498979 0.4511494), wk = 0.0021505 k( 343) = ( 0.1393035 0.2412807 0.4511494), wk = 0.0021505 k( 344) = ( 0.1343284 0.2326635 0.4511494), wk = 0.0021505 k( 345) = ( 0.1293532 0.2240464 0.4511494), wk = 0.0021505 k( 346) = ( 0.1243781 0.2154292 0.4511494), wk = 0.0021505 k( 347) = ( 0.1194030 0.2068120 0.4511494), wk = 0.0021505 k( 348) = ( 0.1144279 0.1981949 0.4511494), wk = 0.0021505 k( 349) = ( 0.1094527 0.1895777 0.4511494), wk = 0.0021505 k( 350) = ( 0.1044776 0.1809605 0.4511494), wk = 0.0021505 k( 351) = ( 0.0995025 0.1723434 0.4511494), wk = 0.0021505 k( 352) = ( 0.0945274 0.1637262 0.4511494), wk = 0.0021505 k( 353) = ( 0.0895522 0.1551090 0.4511494), wk = 0.0021505 k( 354) = ( 0.0845771 0.1464919 0.4511494), wk = 0.0021505 k( 355) = ( 0.0796020 0.1378747 0.4511494), wk = 0.0021505 k( 356) = ( 0.0746269 0.1292575 0.4511494), wk = 0.0021505 k( 357) = ( 0.0696517 0.1206404 0.4511494), wk = 0.0021505 k( 358) = ( 0.0646766 0.1120232 0.4511494), wk = 0.0021505 k( 359) = ( 0.0597015 0.1034060 0.4511494), wk = 0.0021505 k( 360) = ( 0.0547264 0.0947889 0.4511494), wk = 0.0021505 k( 361) = ( 0.0497512 0.0861717 0.4511494), wk = 0.0021505 k( 362) = ( 0.0447761 0.0775545 0.4511494), wk = 0.0021505 k( 363) = ( 0.0398010 0.0689374 0.4511494), wk = 0.0021505 k( 364) = ( 0.0348259 0.0603202 0.4511494), wk = 0.0021505 k( 365) = ( 0.0298507 0.0517030 0.4511494), wk = 0.0021505 k( 366) = ( 0.0248756 0.0430858 0.4511494), wk = 0.0021505 k( 367) = ( 0.0199005 0.0344687 0.4511494), wk = 0.0021505 k( 368) = ( 0.0149254 0.0258515 0.4511494), wk = 0.0021505 k( 369) = ( 0.0099503 0.0172343 0.4511494), wk = 0.0021505 k( 370) = ( 0.0049751 0.0086172 0.4511494), wk = 0.0021505 k( 371) = ( 0.0000000 0.0000000 0.4511494), wk = 0.0021505 k( 372) = ( 0.5000000 0.2886751 0.4511494), wk = 0.0021505 k( 373) = ( 0.5000000 0.2886751 0.4413418), wk = 0.0021505 k( 374) = ( 0.5000000 0.2886751 0.4315342), wk = 0.0021505 k( 375) = ( 0.5000000 0.2886751 0.4217266), wk = 0.0021505 k( 376) = ( 0.5000000 0.2886751 0.4119190), wk = 0.0021505 k( 377) = ( 0.5000000 0.2886751 0.4021114), wk = 0.0021505 k( 378) = ( 0.5000000 0.2886751 0.3923038), wk = 0.0021505 k( 379) = ( 0.5000000 0.2886751 0.3824962), wk = 0.0021505 k( 380) = ( 0.5000000 0.2886751 0.3726887), wk = 0.0021505 k( 381) = ( 0.5000000 0.2886751 0.3628811), wk = 0.0021505 k( 382) = ( 0.5000000 0.2886751 0.3530735), wk = 0.0021505 k( 383) = ( 0.5000000 0.2886751 0.3432659), wk = 0.0021505 k( 384) = ( 0.5000000 0.2886751 0.3334583), wk = 0.0021505 k( 385) = ( 0.5000000 0.2886751 0.3236507), wk = 0.0021505 k( 386) = ( 0.5000000 0.2886751 0.3138431), wk = 0.0021505 k( 387) = ( 0.5000000 0.2886751 0.3040355), wk = 0.0021505 k( 388) = ( 0.5000000 0.2886751 0.2942279), wk = 0.0021505 k( 389) = ( 0.5000000 0.2886751 0.2844203), wk = 0.0021505 k( 390) = ( 0.5000000 0.2886751 0.2746127), wk = 0.0021505 k( 391) = ( 0.5000000 0.2886751 0.2648051), wk = 0.0021505 k( 392) = ( 0.5000000 0.2886751 0.2549975), wk = 0.0021505 k( 393) = ( 0.5000000 0.2886751 0.2451899), wk = 0.0021505 k( 394) = ( 0.5000000 0.2886751 0.2353823), wk = 0.0021505 k( 395) = ( 0.5000000 0.2886751 0.2255747), wk = 0.0021505 k( 396) = ( 0.5000000 0.2886751 0.2157671), wk = 0.0021505 k( 397) = ( 0.5000000 0.2886751 0.2059595), wk = 0.0021505 k( 398) = ( 0.5000000 0.2886751 0.1961519), wk = 0.0021505 k( 399) = ( 0.5000000 0.2886751 0.1863443), wk = 0.0021505 k( 400) = ( 0.5000000 0.2886751 0.1765367), wk = 0.0021505 k( 401) = ( 0.5000000 0.2886751 0.1667291), wk = 0.0021505 k( 402) = ( 0.5000000 0.2886751 0.1569215), wk = 0.0021505 k( 403) = ( 0.5000000 0.2886751 0.1471139), wk = 0.0021505 k( 404) = ( 0.5000000 0.2886751 0.1373063), wk = 0.0021505 k( 405) = ( 0.5000000 0.2886751 0.1274988), wk = 0.0021505 k( 406) = ( 0.5000000 0.2886751 0.1176912), wk = 0.0021505 k( 407) = ( 0.5000000 0.2886751 0.1078836), wk = 0.0021505 k( 408) = ( 0.5000000 0.2886751 0.0980760), wk = 0.0021505 k( 409) = ( 0.5000000 0.2886751 0.0882684), wk = 0.0021505 k( 410) = ( 0.5000000 0.2886751 0.0784608), wk = 0.0021505 k( 411) = ( 0.5000000 0.2886751 0.0686532), wk = 0.0021505 k( 412) = ( 0.5000000 0.2886751 0.0588456), wk = 0.0021505 k( 413) = ( 0.5000000 0.2886751 0.0490380), wk = 0.0021505 k( 414) = ( 0.5000000 0.2886751 0.0392304), wk = 0.0021505 k( 415) = ( 0.5000000 0.2886751 0.0294228), wk = 0.0021505 k( 416) = ( 0.5000000 0.2886751 0.0196152), wk = 0.0021505 k( 417) = ( 0.5000000 0.2886751 0.0098076), wk = 0.0021505 k( 418) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0021505 k( 419) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0021505 k( 420) = ( 0.3333333 0.5773503 0.0098076), wk = 0.0021505 k( 421) = ( 0.3333333 0.5773503 0.0196152), wk = 0.0021505 k( 422) = ( 0.3333333 0.5773503 0.0294228), wk = 0.0021505 k( 423) = ( 0.3333333 0.5773503 0.0392304), wk = 0.0021505 k( 424) = ( 0.3333333 0.5773503 0.0490380), wk = 0.0021505 k( 425) = ( 0.3333333 0.5773503 0.0588456), wk = 0.0021505 k( 426) = ( 0.3333333 0.5773503 0.0686532), wk = 0.0021505 k( 427) = ( 0.3333333 0.5773503 0.0784608), wk = 0.0021505 k( 428) = ( 0.3333333 0.5773503 0.0882684), wk = 0.0021505 k( 429) = ( 0.3333333 0.5773503 0.0980760), wk = 0.0021505 k( 430) = ( 0.3333333 0.5773503 0.1078836), wk = 0.0021505 k( 431) = ( 0.3333333 0.5773503 0.1176912), wk = 0.0021505 k( 432) = ( 0.3333333 0.5773503 0.1274988), wk = 0.0021505 k( 433) = ( 0.3333333 0.5773503 0.1373063), wk = 0.0021505 k( 434) = ( 0.3333333 0.5773503 0.1471139), wk = 0.0021505 k( 435) = ( 0.3333333 0.5773503 0.1569215), wk = 0.0021505 k( 436) = ( 0.3333333 0.5773503 0.1667291), wk = 0.0021505 k( 437) = ( 0.3333333 0.5773503 0.1765367), wk = 0.0021505 k( 438) = ( 0.3333333 0.5773503 0.1863443), wk = 0.0021505 k( 439) = ( 0.3333333 0.5773503 0.1961519), wk = 0.0021505 k( 440) = ( 0.3333333 0.5773503 0.2059595), wk = 0.0021505 k( 441) = ( 0.3333333 0.5773503 0.2157671), wk = 0.0021505 k( 442) = ( 0.3333333 0.5773503 0.2255747), wk = 0.0021505 k( 443) = ( 0.3333333 0.5773503 0.2353823), wk = 0.0021505 k( 444) = ( 0.3333333 0.5773503 0.2451899), wk = 0.0021505 k( 445) = ( 0.3333333 0.5773503 0.2549975), wk = 0.0021505 k( 446) = ( 0.3333333 0.5773503 0.2648051), wk = 0.0021505 k( 447) = ( 0.3333333 0.5773503 0.2746127), wk = 0.0021505 k( 448) = ( 0.3333333 0.5773503 0.2844203), wk = 0.0021505 k( 449) = ( 0.3333333 0.5773503 0.2942279), wk = 0.0021505 k( 450) = ( 0.3333333 0.5773503 0.3040355), wk = 0.0021505 k( 451) = ( 0.3333333 0.5773503 0.3138431), wk = 0.0021505 k( 452) = ( 0.3333333 0.5773503 0.3236507), wk = 0.0021505 k( 453) = ( 0.3333333 0.5773503 0.3334583), wk = 0.0021505 k( 454) = ( 0.3333333 0.5773503 0.3432659), wk = 0.0021505 k( 455) = ( 0.3333333 0.5773503 0.3530735), wk = 0.0021505 k( 456) = ( 0.3333333 0.5773503 0.3628811), wk = 0.0021505 k( 457) = ( 0.3333333 0.5773503 0.3726887), wk = 0.0021505 k( 458) = ( 0.3333333 0.5773503 0.3824962), wk = 0.0021505 k( 459) = ( 0.3333333 0.5773503 0.3923038), wk = 0.0021505 k( 460) = ( 0.3333333 0.5773503 0.4021114), wk = 0.0021505 k( 461) = ( 0.3333333 0.5773503 0.4119190), wk = 0.0021505 k( 462) = ( 0.3333333 0.5773503 0.4217266), wk = 0.0021505 k( 463) = ( 0.3333333 0.5773503 0.4315342), wk = 0.0021505 k( 464) = ( 0.3333333 0.5773503 0.4413418), wk = 0.0021505 k( 465) = ( 0.3333333 0.5773503 0.4511494), wk = 0.0021505 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021505 k( 2) = ( 0.0086207 -0.0000000 -0.0000000), wk = 0.0021505 k( 3) = ( 0.0172414 -0.0000000 -0.0000000), wk = 0.0021505 k( 4) = ( 0.0258621 -0.0000000 -0.0000000), wk = 0.0021505 k( 5) = ( 0.0344828 -0.0000000 -0.0000000), wk = 0.0021505 k( 6) = ( 0.0431035 -0.0000000 -0.0000000), wk = 0.0021505 k( 7) = ( 0.0517241 -0.0000000 -0.0000000), wk = 0.0021505 k( 8) = ( 0.0603448 -0.0000000 -0.0000000), wk = 0.0021505 k( 9) = ( 0.0689655 -0.0000000 -0.0000000), wk = 0.0021505 k( 10) = ( 0.0775862 -0.0000000 -0.0000000), wk = 0.0021505 k( 11) = ( 0.0862069 -0.0000000 -0.0000000), wk = 0.0021505 k( 12) = ( 0.0948276 -0.0000000 -0.0000000), wk = 0.0021505 k( 13) = ( 0.1034483 -0.0000000 -0.0000000), wk = 0.0021505 k( 14) = ( 0.1120690 -0.0000000 -0.0000000), wk = 0.0021505 k( 15) = ( 0.1206897 -0.0000000 -0.0000000), wk = 0.0021505 k( 16) = ( 0.1293103 -0.0000000 -0.0000000), wk = 0.0021505 k( 17) = ( 0.1379310 -0.0000000 0.0000000), wk = 0.0021505 k( 18) = ( 0.1465517 -0.0000000 -0.0000000), wk = 0.0021505 k( 19) = ( 0.1551724 -0.0000000 0.0000000), wk = 0.0021505 k( 20) = ( 0.1637931 -0.0000000 -0.0000000), wk = 0.0021505 k( 21) = ( 0.1724138 -0.0000000 -0.0000000), wk = 0.0021505 k( 22) = ( 0.1810345 -0.0000000 -0.0000000), wk = 0.0021505 k( 23) = ( 0.1896552 -0.0000000 -0.0000000), wk = 0.0021505 k( 24) = ( 0.1982759 -0.0000000 -0.0000000), wk = 0.0021505 k( 25) = ( 0.2068966 -0.0000000 -0.0000000), wk = 0.0021505 k( 26) = ( 0.2155172 -0.0000000 -0.0000000), wk = 0.0021505 k( 27) = ( 0.2241379 -0.0000000 0.0000000), wk = 0.0021505 k( 28) = ( 0.2327586 -0.0000000 -0.0000000), wk = 0.0021505 k( 29) = ( 0.2413793 -0.0000000 -0.0000000), wk = 0.0021505 k( 30) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0021505 k( 31) = ( 0.2586207 -0.0000000 -0.0000000), wk = 0.0021505 k( 32) = ( 0.2672414 -0.0000000 0.0000000), wk = 0.0021505 k( 33) = ( 0.2758621 -0.0000000 -0.0000000), wk = 0.0021505 k( 34) = ( 0.2844828 -0.0000000 -0.0000000), wk = 0.0021505 k( 35) = ( 0.2931034 -0.0000000 -0.0000000), wk = 0.0021505 k( 36) = ( 0.3017241 -0.0000000 0.0000000), wk = 0.0021505 k( 37) = ( 0.3103448 -0.0000000 -0.0000000), wk = 0.0021505 k( 38) = ( 0.3189655 -0.0000000 -0.0000000), wk = 0.0021505 k( 39) = ( 0.3275862 -0.0000000 -0.0000000), wk = 0.0021505 k( 40) = ( 0.3362069 -0.0000000 -0.0000000), wk = 0.0021505 k( 41) = ( 0.3448276 -0.0000000 0.0000000), wk = 0.0021505 k( 42) = ( 0.3534483 -0.0000000 -0.0000000), wk = 0.0021505 k( 43) = ( 0.3620690 -0.0000000 0.0000000), wk = 0.0021505 k( 44) = ( 0.3706897 -0.0000000 -0.0000000), wk = 0.0021505 k( 45) = ( 0.3793103 -0.0000000 -0.0000000), wk = 0.0021505 k( 46) = ( 0.3879310 -0.0000000 -0.0000000), wk = 0.0021505 k( 47) = ( 0.3965517 -0.0000000 -0.0000000), wk = 0.0021505 k( 48) = ( 0.4051724 -0.0000000 0.0000000), wk = 0.0021505 k( 49) = ( 0.4137931 -0.0000000 -0.0000000), wk = 0.0021505 k( 50) = ( 0.4224138 -0.0000000 -0.0000000), wk = 0.0021505 k( 51) = ( 0.4310345 -0.0000000 -0.0000000), wk = 0.0021505 k( 52) = ( 0.4396552 -0.0000000 -0.0000000), wk = 0.0021505 k( 53) = ( 0.4482759 -0.0000000 0.0000000), wk = 0.0021505 k( 54) = ( 0.4568966 -0.0000000 -0.0000000), wk = 0.0021505 k( 55) = ( 0.4655172 -0.0000000 -0.0000000), wk = 0.0021505 k( 56) = ( 0.4741379 -0.0000000 -0.0000000), wk = 0.0021505 k( 57) = ( 0.4827586 -0.0000000 -0.0000000), wk = 0.0021505 k( 58) = ( 0.4913793 -0.0000000 0.0000000), wk = 0.0021505 k( 59) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0021505 k( 60) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0021505 k( 61) = ( 0.4950980 0.0098039 -0.0000000), wk = 0.0021505 k( 62) = ( 0.4901961 0.0196078 -0.0000000), wk = 0.0021505 k( 63) = ( 0.4852941 0.0294118 -0.0000000), wk = 0.0021505 k( 64) = ( 0.4803922 0.0392157 -0.0000000), wk = 0.0021505 k( 65) = ( 0.4754902 0.0490196 -0.0000000), wk = 0.0021505 k( 66) = ( 0.4705882 0.0588235 -0.0000000), wk = 0.0021505 k( 67) = ( 0.4656863 0.0686274 -0.0000000), wk = 0.0021505 k( 68) = ( 0.4607843 0.0784314 -0.0000000), wk = 0.0021505 k( 69) = ( 0.4558823 0.0882353 0.0000000), wk = 0.0021505 k( 70) = ( 0.4509804 0.0980392 -0.0000000), wk = 0.0021505 k( 71) = ( 0.4460784 0.1078431 -0.0000000), wk = 0.0021505 k( 72) = ( 0.4411765 0.1176471 -0.0000000), wk = 0.0021505 k( 73) = ( 0.4362745 0.1274510 0.0000000), wk = 0.0021505 k( 74) = ( 0.4313726 0.1372549 0.0000000), wk = 0.0021505 k( 75) = ( 0.4264706 0.1470588 -0.0000000), wk = 0.0021505 k( 76) = ( 0.4215686 0.1568627 -0.0000000), wk = 0.0021505 k( 77) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0021505 k( 78) = ( 0.4117647 0.1764706 -0.0000000), wk = 0.0021505 k( 79) = ( 0.4068627 0.1862745 -0.0000000), wk = 0.0021505 k( 80) = ( 0.4019608 0.1960784 -0.0000000), wk = 0.0021505 k( 81) = ( 0.3970588 0.2058823 -0.0000000), wk = 0.0021505 k( 82) = ( 0.3921569 0.2156863 -0.0000000), wk = 0.0021505 k( 83) = ( 0.3872549 0.2254902 -0.0000000), wk = 0.0021505 k( 84) = ( 0.3823529 0.2352941 -0.0000000), wk = 0.0021505 k( 85) = ( 0.3774510 0.2450980 0.0000000), wk = 0.0021505 k( 86) = ( 0.3725490 0.2549020 -0.0000000), wk = 0.0021505 k( 87) = ( 0.3676471 0.2647059 0.0000000), wk = 0.0021505 k( 88) = ( 0.3627451 0.2745098 -0.0000000), wk = 0.0021505 k( 89) = ( 0.3578431 0.2843137 0.0000000), wk = 0.0021505 k( 90) = ( 0.3529412 0.2941176 -0.0000000), wk = 0.0021505 k( 91) = ( 0.3480392 0.3039216 0.0000000), wk = 0.0021505 k( 92) = ( 0.3431373 0.3137255 -0.0000000), wk = 0.0021505 k( 93) = ( 0.3382353 0.3235294 -0.0000000), wk = 0.0021505 k( 94) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0021505 k( 95) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0021505 k( 96) = ( 0.3283582 0.3283582 -0.0000000), wk = 0.0021505 k( 97) = ( 0.3233831 0.3233831 -0.0000000), wk = 0.0021505 k( 98) = ( 0.3184080 0.3184080 -0.0000000), wk = 0.0021505 k( 99) = ( 0.3134328 0.3134328 -0.0000000), wk = 0.0021505 k( 100) = ( 0.3084577 0.3084577 -0.0000000), wk = 0.0021505 k( 101) = ( 0.3034826 0.3034826 -0.0000000), wk = 0.0021505 k( 102) = ( 0.2985075 0.2985075 0.0000000), wk = 0.0021505 k( 103) = ( 0.2935323 0.2935323 -0.0000000), wk = 0.0021505 k( 104) = ( 0.2885572 0.2885572 -0.0000000), wk = 0.0021505 k( 105) = ( 0.2835821 0.2835821 -0.0000000), wk = 0.0021505 k( 106) = ( 0.2786070 0.2786070 -0.0000000), wk = 0.0021505 k( 107) = ( 0.2736318 0.2736318 -0.0000000), wk = 0.0021505 k( 108) = ( 0.2686567 0.2686567 -0.0000000), wk = 0.0021505 k( 109) = ( 0.2636816 0.2636816 -0.0000000), wk = 0.0021505 k( 110) = ( 0.2587065 0.2587065 0.0000000), wk = 0.0021505 k( 111) = ( 0.2537313 0.2537313 0.0000000), wk = 0.0021505 k( 112) = ( 0.2487562 0.2487562 -0.0000000), wk = 0.0021505 k( 113) = ( 0.2437811 0.2437811 -0.0000000), wk = 0.0021505 k( 114) = ( 0.2388060 0.2388060 -0.0000000), wk = 0.0021505 k( 115) = ( 0.2338309 0.2338308 -0.0000000), wk = 0.0021505 k( 116) = ( 0.2288557 0.2288557 -0.0000000), wk = 0.0021505 k( 117) = ( 0.2238806 0.2238806 -0.0000000), wk = 0.0021505 k( 118) = ( 0.2189055 0.2189055 -0.0000000), wk = 0.0021505 k( 119) = ( 0.2139303 0.2139303 -0.0000000), wk = 0.0021505 k( 120) = ( 0.2089552 0.2089552 -0.0000000), wk = 0.0021505 k( 121) = ( 0.2039801 0.2039801 -0.0000000), wk = 0.0021505 k( 122) = ( 0.1990050 0.1990050 -0.0000000), wk = 0.0021505 k( 123) = ( 0.1940299 0.1940298 -0.0000000), wk = 0.0021505 k( 124) = ( 0.1890547 0.1890547 -0.0000000), wk = 0.0021505 k( 125) = ( 0.1840796 0.1840796 -0.0000000), wk = 0.0021505 k( 126) = ( 0.1791045 0.1791045 -0.0000000), wk = 0.0021505 k( 127) = ( 0.1741293 0.1741293 -0.0000000), wk = 0.0021505 k( 128) = ( 0.1691542 0.1691542 -0.0000000), wk = 0.0021505 k( 129) = ( 0.1641791 0.1641791 -0.0000000), wk = 0.0021505 k( 130) = ( 0.1592040 0.1592040 -0.0000000), wk = 0.0021505 k( 131) = ( 0.1542289 0.1542289 -0.0000000), wk = 0.0021505 k( 132) = ( 0.1492537 0.1492537 0.0000000), wk = 0.0021505 k( 133) = ( 0.1442786 0.1442786 -0.0000000), wk = 0.0021505 k( 134) = ( 0.1393035 0.1393035 -0.0000000), wk = 0.0021505 k( 135) = ( 0.1343284 0.1343284 -0.0000000), wk = 0.0021505 k( 136) = ( 0.1293532 0.1293532 -0.0000000), wk = 0.0021505 k( 137) = ( 0.1243781 0.1243781 -0.0000000), wk = 0.0021505 k( 138) = ( 0.1194030 0.1194030 -0.0000000), wk = 0.0021505 k( 139) = ( 0.1144279 0.1144279 -0.0000000), wk = 0.0021505 k( 140) = ( 0.1094527 0.1094527 -0.0000000), wk = 0.0021505 k( 141) = ( 0.1044776 0.1044776 -0.0000000), wk = 0.0021505 k( 142) = ( 0.0995025 0.0995025 -0.0000000), wk = 0.0021505 k( 143) = ( 0.0945274 0.0945274 0.0000000), wk = 0.0021505 k( 144) = ( 0.0895522 0.0895522 -0.0000000), wk = 0.0021505 k( 145) = ( 0.0845771 0.0845771 -0.0000000), wk = 0.0021505 k( 146) = ( 0.0796020 0.0796020 -0.0000000), wk = 0.0021505 k( 147) = ( 0.0746269 0.0746269 -0.0000000), wk = 0.0021505 k( 148) = ( 0.0696517 0.0696517 -0.0000000), wk = 0.0021505 k( 149) = ( 0.0646766 0.0646766 -0.0000000), wk = 0.0021505 k( 150) = ( 0.0597015 0.0597015 -0.0000000), wk = 0.0021505 k( 151) = ( 0.0547264 0.0547264 -0.0000000), wk = 0.0021505 k( 152) = ( 0.0497512 0.0497512 -0.0000000), wk = 0.0021505 k( 153) = ( 0.0447761 0.0447761 -0.0000000), wk = 0.0021505 k( 154) = ( 0.0398010 0.0398010 -0.0000000), wk = 0.0021505 k( 155) = ( 0.0348259 0.0348259 -0.0000000), wk = 0.0021505 k( 156) = ( 0.0298507 0.0298507 -0.0000000), wk = 0.0021505 k( 157) = ( 0.0248756 0.0248756 -0.0000000), wk = 0.0021505 k( 158) = ( 0.0199005 0.0199005 -0.0000000), wk = 0.0021505 k( 159) = ( 0.0149254 0.0149254 -0.0000000), wk = 0.0021505 k( 160) = ( 0.0099503 0.0099502 -0.0000000), wk = 0.0021505 k( 161) = ( 0.0049751 0.0049751 0.0000000), wk = 0.0021505 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021505 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021505 k( 164) = ( 0.0000000 0.0000000 0.0108696), wk = 0.0021505 k( 165) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0021505 k( 166) = ( 0.0000000 0.0000000 0.0326087), wk = 0.0021505 k( 167) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0021505 k( 168) = ( 0.0000000 0.0000000 0.0543478), wk = 0.0021505 k( 169) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0021505 k( 170) = ( 0.0000000 0.0000000 0.0760870), wk = 0.0021505 k( 171) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0021505 k( 172) = ( 0.0000000 0.0000000 0.0978261), wk = 0.0021505 k( 173) = ( 0.0000000 0.0000000 0.1086957), wk = 0.0021505 k( 174) = ( 0.0000000 0.0000000 0.1195652), wk = 0.0021505 k( 175) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0021505 k( 176) = ( 0.0000000 0.0000000 0.1413043), wk = 0.0021505 k( 177) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0021505 k( 178) = ( 0.0000000 0.0000000 0.1630435), wk = 0.0021505 k( 179) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0021505 k( 180) = ( 0.0000000 0.0000000 0.1847826), wk = 0.0021505 k( 181) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0021505 k( 182) = ( 0.0000000 0.0000000 0.2065217), wk = 0.0021505 k( 183) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0021505 k( 184) = ( 0.0000000 0.0000000 0.2282609), wk = 0.0021505 k( 185) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0021505 k( 186) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0021505 k( 187) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0021505 k( 188) = ( 0.0000000 0.0000000 0.2717391), wk = 0.0021505 k( 189) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0021505 k( 190) = ( 0.0000000 0.0000000 0.2934783), wk = 0.0021505 k( 191) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0021505 k( 192) = ( 0.0000000 0.0000000 0.3152174), wk = 0.0021505 k( 193) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0021505 k( 194) = ( 0.0000000 0.0000000 0.3369565), wk = 0.0021505 k( 195) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0021505 k( 196) = ( 0.0000000 0.0000000 0.3586956), wk = 0.0021505 k( 197) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0021505 k( 198) = ( 0.0000000 0.0000000 0.3804348), wk = 0.0021505 k( 199) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0021505 k( 200) = ( 0.0000000 0.0000000 0.4021739), wk = 0.0021505 k( 201) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0021505 k( 202) = ( 0.0000000 0.0000000 0.4239130), wk = 0.0021505 k( 203) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0021505 k( 204) = ( 0.0000000 0.0000000 0.4456522), wk = 0.0021505 k( 205) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0021505 k( 206) = ( 0.0000000 0.0000000 0.4673913), wk = 0.0021505 k( 207) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0021505 k( 208) = ( 0.0000000 0.0000000 0.4891304), wk = 0.0021505 k( 209) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021505 k( 210) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021505 k( 211) = ( 0.0086207 -0.0000000 0.5000000), wk = 0.0021505 k( 212) = ( 0.0172414 -0.0000000 0.5000000), wk = 0.0021505 k( 213) = ( 0.0258621 -0.0000000 0.5000000), wk = 0.0021505 k( 214) = ( 0.0344828 -0.0000000 0.5000000), wk = 0.0021505 k( 215) = ( 0.0431035 -0.0000000 0.5000000), wk = 0.0021505 k( 216) = ( 0.0517241 -0.0000000 0.5000000), wk = 0.0021505 k( 217) = ( 0.0603448 -0.0000000 0.5000000), wk = 0.0021505 k( 218) = ( 0.0689655 -0.0000000 0.5000000), wk = 0.0021505 k( 219) = ( 0.0775862 -0.0000000 0.5000000), wk = 0.0021505 k( 220) = ( 0.0862069 -0.0000000 0.5000000), wk = 0.0021505 k( 221) = ( 0.0948276 -0.0000000 0.5000000), wk = 0.0021505 k( 222) = ( 0.1034483 -0.0000000 0.5000000), wk = 0.0021505 k( 223) = ( 0.1120690 -0.0000000 0.5000000), wk = 0.0021505 k( 224) = ( 0.1206897 -0.0000000 0.5000000), wk = 0.0021505 k( 225) = ( 0.1293103 -0.0000000 0.5000000), wk = 0.0021505 k( 226) = ( 0.1379310 -0.0000000 0.5000000), wk = 0.0021505 k( 227) = ( 0.1465517 -0.0000000 0.5000000), wk = 0.0021505 k( 228) = ( 0.1551724 -0.0000000 0.5000000), wk = 0.0021505 k( 229) = ( 0.1637931 -0.0000000 0.5000000), wk = 0.0021505 k( 230) = ( 0.1724138 -0.0000000 0.5000000), wk = 0.0021505 k( 231) = ( 0.1810345 -0.0000000 0.5000000), wk = 0.0021505 k( 232) = ( 0.1896552 -0.0000000 0.5000000), wk = 0.0021505 k( 233) = ( 0.1982759 -0.0000000 0.5000000), wk = 0.0021505 k( 234) = ( 0.2068966 -0.0000000 0.5000000), wk = 0.0021505 k( 235) = ( 0.2155172 -0.0000000 0.5000000), wk = 0.0021505 k( 236) = ( 0.2241379 -0.0000000 0.5000000), wk = 0.0021505 k( 237) = ( 0.2327586 -0.0000000 0.5000000), wk = 0.0021505 k( 238) = ( 0.2413793 -0.0000000 0.5000000), wk = 0.0021505 k( 239) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0021505 k( 240) = ( 0.2586207 -0.0000000 0.5000000), wk = 0.0021505 k( 241) = ( 0.2672414 -0.0000000 0.5000000), wk = 0.0021505 k( 242) = ( 0.2758621 -0.0000000 0.5000000), wk = 0.0021505 k( 243) = ( 0.2844828 -0.0000000 0.5000000), wk = 0.0021505 k( 244) = ( 0.2931034 -0.0000000 0.5000000), wk = 0.0021505 k( 245) = ( 0.3017241 -0.0000000 0.5000000), wk = 0.0021505 k( 246) = ( 0.3103448 -0.0000000 0.5000000), wk = 0.0021505 k( 247) = ( 0.3189655 -0.0000000 0.5000000), wk = 0.0021505 k( 248) = ( 0.3275862 -0.0000000 0.5000000), wk = 0.0021505 k( 249) = ( 0.3362069 -0.0000000 0.5000000), wk = 0.0021505 k( 250) = ( 0.3448276 -0.0000000 0.5000000), wk = 0.0021505 k( 251) = ( 0.3534483 -0.0000000 0.5000000), wk = 0.0021505 k( 252) = ( 0.3620690 -0.0000000 0.5000000), wk = 0.0021505 k( 253) = ( 0.3706897 -0.0000000 0.5000000), wk = 0.0021505 k( 254) = ( 0.3793103 -0.0000000 0.5000000), wk = 0.0021505 k( 255) = ( 0.3879310 -0.0000000 0.5000000), wk = 0.0021505 k( 256) = ( 0.3965517 -0.0000000 0.5000000), wk = 0.0021505 k( 257) = ( 0.4051724 -0.0000000 0.5000000), wk = 0.0021505 k( 258) = ( 0.4137931 -0.0000000 0.5000000), wk = 0.0021505 k( 259) = ( 0.4224138 -0.0000000 0.5000000), wk = 0.0021505 k( 260) = ( 0.4310345 -0.0000000 0.5000000), wk = 0.0021505 k( 261) = ( 0.4396552 -0.0000000 0.5000000), wk = 0.0021505 k( 262) = ( 0.4482759 -0.0000000 0.5000000), wk = 0.0021505 k( 263) = ( 0.4568966 -0.0000000 0.5000000), wk = 0.0021505 k( 264) = ( 0.4655172 -0.0000000 0.5000000), wk = 0.0021505 k( 265) = ( 0.4741379 -0.0000000 0.5000000), wk = 0.0021505 k( 266) = ( 0.4827586 -0.0000000 0.5000000), wk = 0.0021505 k( 267) = ( 0.4913793 -0.0000000 0.5000000), wk = 0.0021505 k( 268) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0021505 k( 269) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0021505 k( 270) = ( 0.4950980 0.0098039 0.5000000), wk = 0.0021505 k( 271) = ( 0.4901961 0.0196078 0.5000000), wk = 0.0021505 k( 272) = ( 0.4852941 0.0294118 0.5000000), wk = 0.0021505 k( 273) = ( 0.4803922 0.0392157 0.5000000), wk = 0.0021505 k( 274) = ( 0.4754902 0.0490196 0.5000000), wk = 0.0021505 k( 275) = ( 0.4705882 0.0588235 0.5000000), wk = 0.0021505 k( 276) = ( 0.4656863 0.0686274 0.5000000), wk = 0.0021505 k( 277) = ( 0.4607843 0.0784314 0.5000000), wk = 0.0021505 k( 278) = ( 0.4558823 0.0882353 0.5000000), wk = 0.0021505 k( 279) = ( 0.4509804 0.0980392 0.5000000), wk = 0.0021505 k( 280) = ( 0.4460784 0.1078431 0.5000000), wk = 0.0021505 k( 281) = ( 0.4411765 0.1176471 0.5000000), wk = 0.0021505 k( 282) = ( 0.4362745 0.1274510 0.5000000), wk = 0.0021505 k( 283) = ( 0.4313726 0.1372549 0.5000000), wk = 0.0021505 k( 284) = ( 0.4264706 0.1470588 0.5000000), wk = 0.0021505 k( 285) = ( 0.4215686 0.1568627 0.5000000), wk = 0.0021505 k( 286) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0021505 k( 287) = ( 0.4117647 0.1764706 0.5000000), wk = 0.0021505 k( 288) = ( 0.4068627 0.1862745 0.5000000), wk = 0.0021505 k( 289) = ( 0.4019608 0.1960784 0.5000000), wk = 0.0021505 k( 290) = ( 0.3970588 0.2058823 0.5000000), wk = 0.0021505 k( 291) = ( 0.3921569 0.2156863 0.5000000), wk = 0.0021505 k( 292) = ( 0.3872549 0.2254902 0.5000000), wk = 0.0021505 k( 293) = ( 0.3823529 0.2352941 0.5000000), wk = 0.0021505 k( 294) = ( 0.3774510 0.2450980 0.5000000), wk = 0.0021505 k( 295) = ( 0.3725490 0.2549020 0.5000000), wk = 0.0021505 k( 296) = ( 0.3676471 0.2647059 0.5000000), wk = 0.0021505 k( 297) = ( 0.3627451 0.2745098 0.5000000), wk = 0.0021505 k( 298) = ( 0.3578431 0.2843137 0.5000000), wk = 0.0021505 k( 299) = ( 0.3529412 0.2941176 0.5000000), wk = 0.0021505 k( 300) = ( 0.3480392 0.3039216 0.5000000), wk = 0.0021505 k( 301) = ( 0.3431373 0.3137255 0.5000000), wk = 0.0021505 k( 302) = ( 0.3382353 0.3235294 0.5000000), wk = 0.0021505 k( 303) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0021505 k( 304) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0021505 k( 305) = ( 0.3283582 0.3283582 0.5000000), wk = 0.0021505 k( 306) = ( 0.3233831 0.3233831 0.5000000), wk = 0.0021505 k( 307) = ( 0.3184080 0.3184080 0.5000000), wk = 0.0021505 k( 308) = ( 0.3134328 0.3134328 0.5000000), wk = 0.0021505 k( 309) = ( 0.3084577 0.3084577 0.5000000), wk = 0.0021505 k( 310) = ( 0.3034826 0.3034826 0.5000000), wk = 0.0021505 k( 311) = ( 0.2985075 0.2985075 0.5000000), wk = 0.0021505 k( 312) = ( 0.2935323 0.2935323 0.5000000), wk = 0.0021505 k( 313) = ( 0.2885572 0.2885572 0.5000000), wk = 0.0021505 k( 314) = ( 0.2835821 0.2835821 0.5000000), wk = 0.0021505 k( 315) = ( 0.2786070 0.2786070 0.5000000), wk = 0.0021505 k( 316) = ( 0.2736318 0.2736318 0.5000000), wk = 0.0021505 k( 317) = ( 0.2686567 0.2686567 0.5000000), wk = 0.0021505 k( 318) = ( 0.2636816 0.2636816 0.5000000), wk = 0.0021505 k( 319) = ( 0.2587065 0.2587065 0.5000000), wk = 0.0021505 k( 320) = ( 0.2537313 0.2537313 0.5000000), wk = 0.0021505 k( 321) = ( 0.2487562 0.2487562 0.5000000), wk = 0.0021505 k( 322) = ( 0.2437811 0.2437811 0.5000000), wk = 0.0021505 k( 323) = ( 0.2388060 0.2388060 0.5000000), wk = 0.0021505 k( 324) = ( 0.2338309 0.2338308 0.5000000), wk = 0.0021505 k( 325) = ( 0.2288557 0.2288557 0.5000000), wk = 0.0021505 k( 326) = ( 0.2238806 0.2238806 0.5000000), wk = 0.0021505 k( 327) = ( 0.2189055 0.2189055 0.5000000), wk = 0.0021505 k( 328) = ( 0.2139303 0.2139303 0.5000000), wk = 0.0021505 k( 329) = ( 0.2089552 0.2089552 0.5000000), wk = 0.0021505 k( 330) = ( 0.2039801 0.2039801 0.5000000), wk = 0.0021505 k( 331) = ( 0.1990050 0.1990050 0.5000000), wk = 0.0021505 k( 332) = ( 0.1940299 0.1940298 0.5000000), wk = 0.0021505 k( 333) = ( 0.1890547 0.1890547 0.5000000), wk = 0.0021505 k( 334) = ( 0.1840796 0.1840796 0.5000000), wk = 0.0021505 k( 335) = ( 0.1791045 0.1791045 0.5000000), wk = 0.0021505 k( 336) = ( 0.1741293 0.1741293 0.5000000), wk = 0.0021505 k( 337) = ( 0.1691542 0.1691542 0.5000000), wk = 0.0021505 k( 338) = ( 0.1641791 0.1641791 0.5000000), wk = 0.0021505 k( 339) = ( 0.1592040 0.1592040 0.5000000), wk = 0.0021505 k( 340) = ( 0.1542289 0.1542289 0.5000000), wk = 0.0021505 k( 341) = ( 0.1492537 0.1492537 0.5000000), wk = 0.0021505 k( 342) = ( 0.1442786 0.1442786 0.5000000), wk = 0.0021505 k( 343) = ( 0.1393035 0.1393035 0.5000000), wk = 0.0021505 k( 344) = ( 0.1343284 0.1343284 0.5000000), wk = 0.0021505 k( 345) = ( 0.1293532 0.1293532 0.5000000), wk = 0.0021505 k( 346) = ( 0.1243781 0.1243781 0.5000000), wk = 0.0021505 k( 347) = ( 0.1194030 0.1194030 0.5000000), wk = 0.0021505 k( 348) = ( 0.1144279 0.1144279 0.5000000), wk = 0.0021505 k( 349) = ( 0.1094527 0.1094527 0.5000000), wk = 0.0021505 k( 350) = ( 0.1044776 0.1044776 0.5000000), wk = 0.0021505 k( 351) = ( 0.0995025 0.0995025 0.5000000), wk = 0.0021505 k( 352) = ( 0.0945274 0.0945274 0.5000000), wk = 0.0021505 k( 353) = ( 0.0895522 0.0895522 0.5000000), wk = 0.0021505 k( 354) = ( 0.0845771 0.0845771 0.5000000), wk = 0.0021505 k( 355) = ( 0.0796020 0.0796020 0.5000000), wk = 0.0021505 k( 356) = ( 0.0746269 0.0746269 0.5000000), wk = 0.0021505 k( 357) = ( 0.0696517 0.0696517 0.5000000), wk = 0.0021505 k( 358) = ( 0.0646766 0.0646766 0.5000000), wk = 0.0021505 k( 359) = ( 0.0597015 0.0597015 0.5000000), wk = 0.0021505 k( 360) = ( 0.0547264 0.0547264 0.5000000), wk = 0.0021505 k( 361) = ( 0.0497512 0.0497512 0.5000000), wk = 0.0021505 k( 362) = ( 0.0447761 0.0447761 0.5000000), wk = 0.0021505 k( 363) = ( 0.0398010 0.0398010 0.5000000), wk = 0.0021505 k( 364) = ( 0.0348259 0.0348259 0.5000000), wk = 0.0021505 k( 365) = ( 0.0298507 0.0298507 0.5000000), wk = 0.0021505 k( 366) = ( 0.0248756 0.0248756 0.5000000), wk = 0.0021505 k( 367) = ( 0.0199005 0.0199005 0.5000000), wk = 0.0021505 k( 368) = ( 0.0149254 0.0149254 0.5000000), wk = 0.0021505 k( 369) = ( 0.0099503 0.0099502 0.5000000), wk = 0.0021505 k( 370) = ( 0.0049751 0.0049751 0.5000000), wk = 0.0021505 k( 371) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021505 k( 372) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0021505 k( 373) = ( 0.5000000 -0.0000000 0.4891304), wk = 0.0021505 k( 374) = ( 0.5000000 -0.0000000 0.4782609), wk = 0.0021505 k( 375) = ( 0.5000000 -0.0000000 0.4673913), wk = 0.0021505 k( 376) = ( 0.5000000 -0.0000000 0.4565217), wk = 0.0021505 k( 377) = ( 0.5000000 -0.0000000 0.4456522), wk = 0.0021505 k( 378) = ( 0.5000000 -0.0000000 0.4347826), wk = 0.0021505 k( 379) = ( 0.5000000 -0.0000000 0.4239130), wk = 0.0021505 k( 380) = ( 0.5000000 -0.0000000 0.4130435), wk = 0.0021505 k( 381) = ( 0.5000000 -0.0000000 0.4021739), wk = 0.0021505 k( 382) = ( 0.5000000 -0.0000000 0.3913044), wk = 0.0021505 k( 383) = ( 0.5000000 -0.0000000 0.3804348), wk = 0.0021505 k( 384) = ( 0.5000000 -0.0000000 0.3695652), wk = 0.0021505 k( 385) = ( 0.5000000 -0.0000000 0.3586956), wk = 0.0021505 k( 386) = ( 0.5000000 -0.0000000 0.3478261), wk = 0.0021505 k( 387) = ( 0.5000000 -0.0000000 0.3369565), wk = 0.0021505 k( 388) = ( 0.5000000 -0.0000000 0.3260870), wk = 0.0021505 k( 389) = ( 0.5000000 -0.0000000 0.3152174), wk = 0.0021505 k( 390) = ( 0.5000000 -0.0000000 0.3043478), wk = 0.0021505 k( 391) = ( 0.5000000 -0.0000000 0.2934783), wk = 0.0021505 k( 392) = ( 0.5000000 -0.0000000 0.2826087), wk = 0.0021505 k( 393) = ( 0.5000000 -0.0000000 0.2717391), wk = 0.0021505 k( 394) = ( 0.5000000 -0.0000000 0.2608696), wk = 0.0021505 k( 395) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0021505 k( 396) = ( 0.5000000 -0.0000000 0.2391304), wk = 0.0021505 k( 397) = ( 0.5000000 -0.0000000 0.2282609), wk = 0.0021505 k( 398) = ( 0.5000000 -0.0000000 0.2173913), wk = 0.0021505 k( 399) = ( 0.5000000 -0.0000000 0.2065217), wk = 0.0021505 k( 400) = ( 0.5000000 -0.0000000 0.1956522), wk = 0.0021505 k( 401) = ( 0.5000000 -0.0000000 0.1847826), wk = 0.0021505 k( 402) = ( 0.5000000 -0.0000000 0.1739130), wk = 0.0021505 k( 403) = ( 0.5000000 -0.0000000 0.1630435), wk = 0.0021505 k( 404) = ( 0.5000000 -0.0000000 0.1521739), wk = 0.0021505 k( 405) = ( 0.5000000 -0.0000000 0.1413043), wk = 0.0021505 k( 406) = ( 0.5000000 -0.0000000 0.1304348), wk = 0.0021505 k( 407) = ( 0.5000000 -0.0000000 0.1195652), wk = 0.0021505 k( 408) = ( 0.5000000 -0.0000000 0.1086957), wk = 0.0021505 k( 409) = ( 0.5000000 -0.0000000 0.0978261), wk = 0.0021505 k( 410) = ( 0.5000000 -0.0000000 0.0869565), wk = 0.0021505 k( 411) = ( 0.5000000 -0.0000000 0.0760870), wk = 0.0021505 k( 412) = ( 0.5000000 -0.0000000 0.0652174), wk = 0.0021505 k( 413) = ( 0.5000000 -0.0000000 0.0543478), wk = 0.0021505 k( 414) = ( 0.5000000 -0.0000000 0.0434783), wk = 0.0021505 k( 415) = ( 0.5000000 -0.0000000 0.0326087), wk = 0.0021505 k( 416) = ( 0.5000000 -0.0000000 0.0217391), wk = 0.0021505 k( 417) = ( 0.5000000 -0.0000000 0.0108696), wk = 0.0021505 k( 418) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0021505 k( 419) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0021505 k( 420) = ( 0.3333333 0.3333333 0.0108696), wk = 0.0021505 k( 421) = ( 0.3333333 0.3333333 0.0217391), wk = 0.0021505 k( 422) = ( 0.3333333 0.3333333 0.0326087), wk = 0.0021505 k( 423) = ( 0.3333333 0.3333333 0.0434783), wk = 0.0021505 k( 424) = ( 0.3333333 0.3333333 0.0543478), wk = 0.0021505 k( 425) = ( 0.3333333 0.3333333 0.0652174), wk = 0.0021505 k( 426) = ( 0.3333333 0.3333333 0.0760870), wk = 0.0021505 k( 427) = ( 0.3333333 0.3333333 0.0869565), wk = 0.0021505 k( 428) = ( 0.3333333 0.3333333 0.0978261), wk = 0.0021505 k( 429) = ( 0.3333333 0.3333333 0.1086957), wk = 0.0021505 k( 430) = ( 0.3333333 0.3333333 0.1195652), wk = 0.0021505 k( 431) = ( 0.3333333 0.3333333 0.1304348), wk = 0.0021505 k( 432) = ( 0.3333333 0.3333333 0.1413043), wk = 0.0021505 k( 433) = ( 0.3333333 0.3333333 0.1521739), wk = 0.0021505 k( 434) = ( 0.3333333 0.3333333 0.1630435), wk = 0.0021505 k( 435) = ( 0.3333333 0.3333333 0.1739130), wk = 0.0021505 k( 436) = ( 0.3333333 0.3333333 0.1847826), wk = 0.0021505 k( 437) = ( 0.3333333 0.3333333 0.1956522), wk = 0.0021505 k( 438) = ( 0.3333333 0.3333333 0.2065217), wk = 0.0021505 k( 439) = ( 0.3333333 0.3333333 0.2173913), wk = 0.0021505 k( 440) = ( 0.3333333 0.3333333 0.2282609), wk = 0.0021505 k( 441) = ( 0.3333333 0.3333333 0.2391304), wk = 0.0021505 k( 442) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0021505 k( 443) = ( 0.3333333 0.3333333 0.2608696), wk = 0.0021505 k( 444) = ( 0.3333333 0.3333333 0.2717391), wk = 0.0021505 k( 445) = ( 0.3333333 0.3333333 0.2826087), wk = 0.0021505 k( 446) = ( 0.3333333 0.3333333 0.2934783), wk = 0.0021505 k( 447) = ( 0.3333333 0.3333333 0.3043478), wk = 0.0021505 k( 448) = ( 0.3333333 0.3333333 0.3152174), wk = 0.0021505 k( 449) = ( 0.3333333 0.3333333 0.3260870), wk = 0.0021505 k( 450) = ( 0.3333333 0.3333333 0.3369565), wk = 0.0021505 k( 451) = ( 0.3333333 0.3333333 0.3478261), wk = 0.0021505 k( 452) = ( 0.3333333 0.3333333 0.3586956), wk = 0.0021505 k( 453) = ( 0.3333333 0.3333333 0.3695652), wk = 0.0021505 k( 454) = ( 0.3333333 0.3333333 0.3804348), wk = 0.0021505 k( 455) = ( 0.3333333 0.3333333 0.3913044), wk = 0.0021505 k( 456) = ( 0.3333333 0.3333333 0.4021739), wk = 0.0021505 k( 457) = ( 0.3333333 0.3333333 0.4130435), wk = 0.0021505 k( 458) = ( 0.3333333 0.3333333 0.4239130), wk = 0.0021505 k( 459) = ( 0.3333333 0.3333333 0.4347826), wk = 0.0021505 k( 460) = ( 0.3333333 0.3333333 0.4456522), wk = 0.0021505 k( 461) = ( 0.3333333 0.3333333 0.4565217), wk = 0.0021505 k( 462) = ( 0.3333333 0.3333333 0.4673913), wk = 0.0021505 k( 463) = ( 0.3333333 0.3333333 0.4782609), wk = 0.0021505 k( 464) = ( 0.3333333 0.3333333 0.4891304), wk = 0.0021505 k( 465) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0021505 Dense grid: 19789 G-vectors FFT dimensions: ( 36, 36, 40) Smooth grid: 8999 G-vectors FFT dimensions: ( 27, 27, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 70, 26) NL pseudopotentials 0.03 Mb ( 35, 62) Each V/rho on FFT grid 0.04 Mb ( 2592) Each G-vector array 0.00 Mb ( 549) G-vector shells 0.00 Mb ( 274) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.11 Mb ( 70, 104) Each subspace H/S matrix 0.01 Mb ( 26, 26) Each matrix 0.05 Mb ( 62, 2, 26) The potential is recalculated from file : ./HfB2.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.6 secs Computing kpt #: 2 total cpu time spent up to now is 1.8 secs Computing kpt #: 3 total cpu time spent up to now is 1.9 secs Computing kpt #: 4 total cpu time spent up to now is 2.0 secs Computing kpt #: 5 total cpu time spent up to now is 2.0 secs Computing kpt #: 6 total cpu time spent up to now is 2.1 secs Computing kpt #: 7 total cpu time spent up to now is 2.2 secs Computing kpt #: 8 total cpu time spent up to now is 2.3 secs Computing kpt #: 9 total cpu time spent up to now is 2.4 secs Computing kpt #: 10 total cpu time spent up to now is 2.4 secs Computing kpt #: 11 total cpu time spent up to now is 2.5 secs Computing kpt #: 12 total cpu time spent up to now is 2.6 secs Computing kpt #: 13 total cpu time spent up to now is 2.7 secs Computing kpt #: 14 total cpu time spent up to now is 2.7 secs Computing kpt #: 15 total cpu time spent up to now is 2.8 secs Computing kpt #: 16 total cpu time spent up to now is 2.9 secs Computing kpt #: 17 total cpu time spent up to now is 3.0 secs Computing kpt #: 18 total cpu time spent up to now is 3.0 secs Computing kpt #: 19 total cpu time spent up to now is 3.1 secs Computing kpt #: 20 total cpu time spent up to now is 3.2 secs Computing kpt #: 21 total cpu time spent up to now is 3.3 secs Computing kpt #: 22 total cpu time spent up to now is 3.3 secs Computing kpt #: 23 total cpu time spent up to now is 3.4 secs Computing kpt #: 24 total cpu time spent up to now is 3.5 secs Computing kpt #: 25 total cpu time spent up to now is 3.6 secs Computing kpt #: 26 total cpu time spent up to now is 3.6 secs Computing kpt #: 27 total cpu time spent up to now is 3.7 secs Computing kpt #: 28 total cpu time spent up to now is 3.8 secs Computing kpt #: 29 total cpu time spent up to now is 3.9 secs Computing kpt #: 30 total cpu time spent up to now is 3.9 secs Computing kpt #: 31 total cpu time spent up to now is 4.0 secs Computing kpt #: 32 total cpu time spent up to now is 4.1 secs Computing kpt #: 33 total cpu time spent up to now is 4.2 secs Computing kpt #: 34 total cpu time spent up to now is 4.2 secs Computing kpt #: 35 total cpu time spent up to now is 4.3 secs Computing kpt #: 36 total cpu time spent up to now is 4.4 secs Computing kpt #: 37 total cpu time spent up to now is 4.5 secs Computing kpt #: 38 total cpu time spent up to now is 4.5 secs Computing kpt #: 39 total cpu time spent up to now is 4.6 secs Computing kpt #: 40 total cpu time spent up to now is 4.7 secs Computing kpt #: 41 total cpu time spent up to now is 4.7 secs Computing kpt #: 42 total cpu time spent up to now is 4.9 secs Computing kpt #: 43 total cpu time spent up to now is 5.0 secs Computing kpt #: 44 total cpu time spent up to now is 5.0 secs Computing kpt #: 45 total cpu time spent up to now is 5.1 secs Computing kpt #: 46 total cpu time spent up to now is 5.2 secs Computing kpt #: 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kpt #: 63 total cpu time spent up to now is 6.7 secs Computing kpt #: 64 total cpu time spent up to now is 6.8 secs Computing kpt #: 65 total cpu time spent up to now is 6.9 secs Computing kpt #: 66 total cpu time spent up to now is 7.0 secs Computing kpt #: 67 total cpu time spent up to now is 7.0 secs Computing kpt #: 68 total cpu time spent up to now is 7.1 secs Computing kpt #: 69 total cpu time spent up to now is 7.2 secs Computing kpt #: 70 total cpu time spent up to now is 7.3 secs Computing kpt #: 71 total cpu time spent up to now is 7.3 secs Computing kpt #: 72 total cpu time spent up to now is 7.4 secs Computing kpt #: 73 total cpu time spent up to now is 7.5 secs Computing kpt #: 74 total cpu time spent up to now is 7.6 secs Computing kpt #: 75 total cpu time spent up to now is 7.6 secs Computing kpt #: 76 total cpu time spent up to now is 7.7 secs Computing kpt #: 77 total cpu time spent up to now is 7.8 secs Computing kpt #: 78 total cpu time spent up to now is 7.9 secs Computing kpt #: 79 total cpu time spent up to now is 7.9 secs Computing kpt #: 80 total cpu time spent up to now is 8.0 secs Computing kpt #: 81 total cpu time spent up to now is 8.1 secs Computing kpt #: 82 total cpu time spent up to now is 8.2 secs Computing kpt #: 83 total cpu time spent up to now is 8.2 secs Computing kpt #: 84 total cpu time spent up to now is 8.3 secs Computing kpt #: 85 total cpu time spent up to now is 8.4 secs Computing kpt #: 86 total cpu time spent up to now is 8.5 secs Computing kpt #: 87 total cpu time spent up to now is 8.6 secs Computing kpt #: 88 total cpu time spent up to now is 8.6 secs Computing kpt #: 89 total cpu time spent up to now is 8.7 secs Computing kpt #: 90 total cpu time spent up to now is 8.8 secs Computing kpt #: 91 total cpu time spent up to now is 8.9 secs Computing kpt #: 92 total cpu time spent up to now is 9.0 secs Computing kpt #: 93 total cpu time spent up to now is 9.0 secs Computing kpt #: 94 total cpu time spent up to now is 9.1 secs Computing kpt #: 95 total cpu time spent up to now is 9.2 secs Computing kpt #: 96 total cpu time spent up to now is 9.3 secs Computing kpt #: 97 total cpu time spent up to now is 9.4 secs Computing kpt #: 98 total cpu time spent up to now is 9.5 secs Computing kpt #: 99 total cpu time spent up to now is 9.5 secs Computing kpt #: 100 total cpu time spent up to now is 9.6 secs Computing kpt #: 101 total cpu time spent up to now is 9.7 secs Computing kpt #: 102 total cpu time spent up to now is 9.8 secs Computing kpt #: 103 total cpu time spent up to now is 9.9 secs Computing kpt #: 104 total cpu time spent up to now is 9.9 secs Computing kpt #: 105 total cpu time spent up to now is 10.0 secs Computing kpt #: 106 total cpu time spent up to now is 10.1 secs Computing kpt #: 107 total cpu time spent up to now is 10.2 secs Computing kpt #: 108 total cpu time spent up to now is 10.3 secs Computing kpt #: 109 total cpu time spent up to now is 10.4 secs Computing kpt #: 110 total cpu 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12.4 secs Computing kpt #: 126 total cpu time spent up to now is 12.5 secs Computing kpt #: 127 total cpu time spent up to now is 12.6 secs Computing kpt #: 128 total cpu time spent up to now is 12.7 secs Computing kpt #: 129 total cpu time spent up to now is 12.8 secs Computing kpt #: 130 total cpu time spent up to now is 12.8 secs Computing kpt #: 131 total cpu time spent up to now is 12.9 secs Computing kpt #: 132 total cpu time spent up to now is 13.0 secs Computing kpt #: 133 total cpu time spent up to now is 13.1 secs Computing kpt #: 134 total cpu time spent up to now is 13.2 secs Computing kpt #: 135 total cpu time spent up to now is 13.2 secs Computing kpt #: 136 total cpu time spent up to now is 13.3 secs Computing kpt #: 137 total cpu time spent up to now is 13.4 secs Computing kpt #: 138 total cpu time spent up to now is 13.5 secs Computing kpt #: 139 total cpu time spent up to now is 13.5 secs Computing kpt #: 140 total cpu time spent up to now is 13.6 secs Computing kpt 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spent up to now is 14.8 secs Computing kpt #: 157 total cpu time spent up to now is 14.9 secs Computing kpt #: 158 total cpu time spent up to now is 15.0 secs Computing kpt #: 159 total cpu time spent up to now is 15.1 secs Computing kpt #: 160 total cpu time spent up to now is 15.2 secs Computing kpt #: 161 total cpu time spent up to now is 15.3 secs Computing kpt #: 162 total cpu time spent up to now is 15.4 secs Computing kpt #: 163 total cpu time spent up to now is 15.6 secs Computing kpt #: 164 total cpu time spent up to now is 15.8 secs Computing kpt #: 165 total cpu time spent up to now is 15.9 secs Computing kpt #: 166 total cpu time spent up to now is 16.1 secs Computing kpt #: 167 total cpu time spent up to now is 16.2 secs Computing kpt #: 168 total cpu time spent up to now is 16.2 secs Computing kpt #: 169 total cpu time spent up to now is 16.3 secs Computing kpt #: 170 total cpu time spent up to now is 16.4 secs Computing kpt #: 171 total cpu time spent up to now is 16.5 secs Computing kpt #: 172 total cpu time spent up to now is 16.5 secs Computing kpt #: 173 total cpu time spent up to now is 16.6 secs Computing kpt #: 174 total cpu time spent up to now is 16.7 secs Computing kpt #: 175 total cpu time spent up to now is 16.8 secs Computing kpt #: 176 total cpu time spent up to now is 16.8 secs Computing kpt #: 177 total cpu time spent up to now is 16.9 secs Computing kpt #: 178 total cpu time spent up to now is 17.0 secs Computing kpt #: 179 total cpu time spent up to now is 17.1 secs Computing kpt #: 180 total cpu time spent up to now is 17.1 secs Computing kpt #: 181 total cpu time spent up to now is 17.2 secs Computing kpt #: 182 total cpu time spent up to now is 17.3 secs Computing kpt #: 183 total cpu time spent up to now is 17.4 secs Computing kpt #: 184 total cpu time spent up to now is 17.4 secs Computing kpt #: 185 total cpu time spent up to now is 17.5 secs Computing kpt #: 186 total cpu time spent up to now is 17.6 secs Computing kpt #: 187 total cpu time spent up to now is 17.6 secs Computing kpt #: 188 total cpu time spent up to now is 17.7 secs Computing kpt #: 189 total cpu time spent up to now is 17.8 secs Computing kpt #: 190 total cpu time spent up to now is 17.9 secs Computing kpt #: 191 total cpu time spent up to now is 17.9 secs Computing kpt #: 192 total cpu time spent up to now is 18.0 secs Computing kpt #: 193 total cpu time spent up to now is 18.1 secs Computing kpt #: 194 total cpu time spent up to now is 18.1 secs Computing kpt #: 195 total cpu time spent up to now is 18.2 secs Computing kpt #: 196 total cpu time spent up to now is 18.3 secs Computing kpt #: 197 total cpu time spent up to now is 18.3 secs Computing kpt #: 198 total cpu time spent up to now is 18.4 secs Computing kpt #: 199 total cpu time spent up to now is 18.5 secs Computing kpt #: 200 total cpu time spent up to now is 18.6 secs Computing kpt #: 201 total cpu time spent up to now is 18.6 secs Computing kpt #: 202 total cpu time spent up to now is 18.7 secs Computing kpt #: 203 total cpu time spent up to now is 18.8 secs Computing kpt #: 204 total cpu time spent up to now is 18.8 secs Computing kpt #: 205 total cpu time spent up to now is 18.9 secs Computing kpt #: 206 total cpu time spent up to now is 19.0 secs Computing kpt #: 207 total cpu time spent up to now is 19.0 secs Computing kpt #: 208 total cpu time spent up to now is 19.1 secs Computing kpt #: 209 total cpu time spent up to now is 19.2 secs Computing kpt #: 210 total cpu time spent up to now is 19.2 secs Computing kpt #: 211 total cpu time spent up to now is 19.3 secs Computing kpt #: 212 total cpu time spent up to now is 19.4 secs Computing kpt #: 213 total cpu time spent up to now is 19.5 secs Computing kpt #: 214 total cpu time spent up to now is 19.5 secs Computing kpt #: 215 total cpu time spent up to now is 19.6 secs Computing kpt #: 216 total cpu time spent up to now is 19.7 secs Computing kpt #: 217 total cpu time spent up to now is 19.7 secs Computing kpt #: 218 total cpu time spent up to now is 19.8 secs Computing kpt #: 219 total cpu time spent up to now is 19.9 secs Computing kpt #: 220 total cpu time spent up to now is 20.0 secs Computing kpt #: 221 total cpu time spent up to now is 20.0 secs Computing kpt #: 222 total cpu time spent up to now is 20.1 secs Computing kpt #: 223 total cpu time spent up to now is 20.2 secs Computing kpt #: 224 total cpu time spent up to now is 20.2 secs Computing kpt #: 225 total cpu time spent up to now is 20.3 secs Computing kpt #: 226 total cpu time spent up to now is 20.4 secs Computing kpt #: 227 total cpu time spent up to now is 20.4 secs Computing kpt #: 228 total cpu time spent up to now is 20.5 secs Computing kpt #: 229 total cpu time spent up to now is 20.6 secs Computing kpt #: 230 total cpu time spent up to now is 20.7 secs Computing kpt #: 231 total cpu time spent up to now is 20.7 secs Computing kpt #: 232 total cpu time spent up to now is 20.8 secs Computing kpt #: 233 total cpu time spent up to now is 20.9 secs Computing kpt #: 234 total cpu time spent up to now is 20.9 secs Computing kpt #: 235 total cpu time spent up to now is 21.0 secs Computing kpt #: 236 total cpu time spent up to now is 21.1 secs Computing kpt #: 237 total cpu time spent up to now is 21.2 secs Computing kpt #: 238 total cpu time spent up to now is 21.2 secs Computing kpt #: 239 total cpu time spent up to now is 21.3 secs Computing kpt #: 240 total cpu time spent up to now is 21.4 secs Computing kpt #: 241 total cpu time spent up to now is 21.4 secs Computing kpt #: 242 total cpu time spent up to now is 21.5 secs Computing kpt #: 243 total cpu time spent up to now is 21.6 secs Computing kpt #: 244 total cpu time spent up to now is 21.7 secs Computing kpt #: 245 total cpu time spent up to now is 21.7 secs Computing kpt #: 246 total cpu time spent up to now is 21.8 secs Computing kpt #: 247 total cpu time spent up to now is 21.9 secs Computing kpt #: 248 total cpu time spent up to now is 22.0 secs Computing kpt #: 249 total cpu time spent up to now is 22.0 secs Computing kpt #: 250 total cpu time spent up to now is 22.1 secs Computing kpt #: 251 total cpu time spent up to now is 22.2 secs Computing kpt #: 252 total cpu time spent up to now is 22.3 secs Computing kpt #: 253 total cpu time spent up to now is 22.4 secs Computing kpt #: 254 total cpu time spent up to now is 22.4 secs Computing kpt #: 255 total cpu time spent up to now is 22.5 secs Computing kpt #: 256 total cpu time spent up to now is 22.6 secs Computing kpt #: 257 total cpu time spent up to now is 22.7 secs Computing kpt #: 258 total cpu time spent up to now is 22.8 secs Computing kpt #: 259 total cpu time spent up to now is 22.9 secs Computing kpt #: 260 total cpu time spent up to now is 23.0 secs Computing kpt #: 261 total cpu time spent up to now is 23.2 secs Computing kpt #: 262 total cpu time spent up to now is 23.3 secs Computing kpt #: 263 total cpu time spent up to now is 23.4 secs Computing kpt #: 264 total cpu time spent up to now is 23.5 secs Computing kpt #: 265 total cpu time spent up to now is 23.7 secs Computing kpt #: 266 total cpu time spent up to now is 23.8 secs Computing kpt #: 267 total cpu time spent up to now is 23.9 secs Computing kpt #: 268 total cpu time spent up to now is 24.0 secs Computing kpt #: 269 total cpu time spent up to now is 24.1 secs Computing kpt #: 270 total cpu time spent up to now is 24.3 secs Computing kpt #: 271 total cpu time spent up to now is 24.4 secs Computing kpt #: 272 total cpu time spent up to now is 24.5 secs Computing kpt #: 273 total cpu time spent up to now is 24.6 secs Computing kpt #: 274 total cpu time spent up to now is 24.7 secs Computing kpt #: 275 total cpu time spent up to now is 24.8 secs Computing kpt #: 276 total cpu time spent up to now is 24.9 secs Computing kpt #: 277 total cpu time spent up to now is 25.0 secs Computing kpt #: 278 total cpu time spent up to now is 25.1 secs Computing kpt #: 279 total cpu time spent up to now is 25.2 secs Computing kpt #: 280 total cpu time spent up to now is 25.4 secs Computing kpt #: 281 total cpu time spent up to now is 25.5 secs Computing kpt #: 282 total cpu time spent up to now is 25.6 secs Computing kpt #: 283 total cpu time spent up to now is 25.7 secs Computing kpt #: 284 total cpu time spent up to now is 25.9 secs Computing kpt #: 285 total cpu time spent up to now is 26.0 secs Computing kpt #: 286 total cpu time spent up to now is 26.1 secs Computing kpt #: 287 total cpu time spent up to now is 26.2 secs Computing kpt #: 288 total cpu time spent up to now is 26.4 secs Computing kpt #: 289 total cpu time spent up to now is 26.5 secs Computing kpt #: 290 total cpu time spent up to now is 26.6 secs Computing kpt #: 291 total cpu time spent up to now is 26.7 secs Computing kpt #: 292 total cpu time spent up to now is 26.8 secs Computing kpt #: 293 total cpu time spent up to now is 26.9 secs Computing kpt #: 294 total cpu time spent up to now is 27.0 secs Computing kpt #: 295 total cpu time spent up to now is 27.1 secs Computing kpt #: 296 total cpu time spent up to now is 27.2 secs Computing kpt #: 297 total cpu time spent up to now is 27.4 secs Computing kpt #: 298 total cpu time spent up to now is 27.5 secs Computing kpt #: 299 total cpu time spent up to now is 27.6 secs Computing kpt #: 300 total cpu time spent up to now is 27.7 secs Computing kpt #: 301 total cpu time spent up to now is 27.8 secs Computing kpt #: 302 total cpu time spent up to now is 27.9 secs Computing kpt #: 303 total cpu time spent up to now is 28.0 secs Computing kpt #: 304 total cpu time spent up to now is 28.1 secs Computing kpt #: 305 total cpu time spent up to now is 28.3 secs Computing kpt #: 306 total cpu time spent up to now is 28.4 secs Computing kpt #: 307 total cpu time spent up to now is 28.5 secs Computing kpt #: 308 total cpu time spent up to now is 28.6 secs Computing kpt #: 309 total cpu time spent up to now is 28.7 secs Computing kpt #: 310 total cpu time spent up to now is 28.8 secs Computing kpt #: 311 total cpu time spent up to now is 28.9 secs Computing kpt #: 312 total cpu time spent up to now is 29.0 secs Computing kpt #: 313 total cpu time spent up to now is 29.1 secs Computing kpt #: 314 total cpu time spent up to now is 29.2 secs Computing kpt #: 315 total cpu time spent up to now is 29.3 secs Computing kpt #: 316 total cpu time spent up to now is 29.4 secs Computing kpt #: 317 total cpu time spent up to now is 29.6 secs Computing kpt #: 318 total cpu time spent up to now is 29.7 secs Computing kpt #: 319 total cpu time spent up to now is 29.8 secs Computing kpt #: 320 total cpu time spent up to now is 29.9 secs Computing kpt #: 321 total cpu time spent up to now is 30.0 secs Computing kpt #: 322 total cpu time spent up to now is 30.1 secs Computing kpt #: 323 total cpu time spent up to now is 30.2 secs Computing kpt #: 324 total cpu time spent up to now is 30.3 secs Computing kpt #: 325 total cpu time spent up to now is 30.4 secs Computing kpt #: 326 total cpu time spent up to now is 30.5 secs Computing kpt #: 327 total cpu time spent up to now is 30.5 secs Computing kpt #: 328 total cpu time spent up to now is 30.6 secs Computing kpt #: 329 total cpu time spent up to now is 30.7 secs Computing kpt #: 330 total cpu time spent up to now is 30.8 secs Computing kpt #: 331 total cpu time spent up to now is 30.9 secs Computing kpt #: 332 total cpu time spent up to now is 30.9 secs Computing kpt #: 333 total cpu time spent up to now is 31.0 secs Computing kpt #: 334 total cpu time spent up to now is 31.1 secs Computing kpt #: 335 total cpu time spent up to now is 31.2 secs Computing kpt #: 336 total cpu time spent up to now is 31.2 secs Computing kpt #: 337 total cpu time spent up to now is 31.3 secs Computing kpt #: 338 total cpu time spent up to now is 31.4 secs Computing kpt #: 339 total cpu time spent up to now is 31.5 secs Computing kpt #: 340 total cpu time spent up to now is 31.5 secs Computing kpt #: 341 total cpu time spent up to now is 31.6 secs Computing kpt #: 342 total cpu time spent up to now is 31.7 secs Computing kpt #: 343 total cpu time spent up to now is 31.8 secs Computing kpt #: 344 total cpu time spent up to now is 31.8 secs Computing kpt #: 345 total cpu time spent up to now is 31.9 secs Computing kpt #: 346 total cpu time spent up to now is 32.0 secs Computing kpt #: 347 total cpu time spent up to now is 32.1 secs Computing kpt #: 348 total cpu time spent up to now is 32.1 secs Computing kpt #: 349 total cpu time spent up to now is 32.2 secs Computing kpt #: 350 total cpu time spent up to now is 32.3 secs Computing kpt #: 351 total cpu time spent up to now is 32.4 secs Computing kpt #: 352 total cpu time spent up to now is 32.4 secs Computing kpt #: 353 total cpu time spent up to now is 32.5 secs Computing kpt #: 354 total cpu time spent up to now is 32.6 secs Computing kpt #: 355 total cpu time spent up to now is 32.6 secs Computing kpt #: 356 total cpu time spent up to now is 32.7 secs Computing kpt #: 357 total cpu time spent up to now is 32.8 secs Computing kpt #: 358 total cpu time spent up to now is 32.8 secs Computing kpt #: 359 total cpu time spent up to now is 32.9 secs Computing kpt #: 360 total cpu time spent up to now is 33.0 secs Computing kpt #: 361 total cpu time spent up to now is 33.1 secs Computing kpt #: 362 total cpu time spent up to now is 33.1 secs Computing kpt #: 363 total cpu time spent up to now is 33.2 secs Computing kpt #: 364 total cpu time spent up to now is 33.3 secs Computing kpt #: 365 total cpu time spent up to now is 33.3 secs Computing kpt #: 366 total cpu time spent up to now is 33.4 secs Computing kpt #: 367 total cpu time spent up to now is 33.5 secs Computing kpt #: 368 total cpu time spent up to now is 33.5 secs Computing kpt #: 369 total cpu time spent up to now is 33.6 secs Computing kpt #: 370 total cpu time spent up to now is 33.7 secs Computing kpt #: 371 total cpu time spent up to now is 33.8 secs Computing kpt #: 372 total cpu time spent up to now is 33.9 secs Computing kpt #: 373 total cpu time spent up to now is 34.0 secs Computing kpt #: 374 total cpu time spent up to now is 34.1 secs Computing kpt #: 375 total cpu time spent up to now is 34.2 secs Computing kpt #: 376 total cpu time spent up to now is 34.4 secs Computing kpt #: 377 total cpu time spent up to now is 34.5 secs Computing kpt #: 378 total cpu time spent up to now is 34.6 secs Computing kpt #: 379 total cpu time spent up to now is 34.7 secs Computing kpt #: 380 total cpu time spent up to now is 34.8 secs Computing kpt #: 381 total cpu time spent up to now is 34.9 secs Computing kpt #: 382 total cpu time spent up to now is 35.0 secs Computing kpt #: 383 total cpu time spent up to now is 35.1 secs Computing kpt #: 384 total cpu time spent up to now is 35.2 secs Computing kpt #: 385 total cpu time spent up to now is 35.3 secs Computing kpt #: 386 total cpu time spent up to now is 35.4 secs Computing kpt #: 387 total cpu time spent up to now is 35.5 secs Computing kpt #: 388 total cpu time spent up to now is 35.6 secs Computing kpt #: 389 total cpu time spent up to now is 35.7 secs Computing kpt #: 390 total cpu time spent up to now is 35.8 secs Computing kpt #: 391 total cpu time spent up to now is 36.0 secs Computing kpt #: 392 total cpu time spent up to now is 36.1 secs Computing kpt #: 393 total cpu time spent up to now is 36.2 secs Computing kpt #: 394 total cpu time spent up to now is 36.3 secs Computing kpt #: 395 total cpu time spent up to now is 36.4 secs Computing kpt #: 396 total cpu time spent up to now is 36.6 secs Computing kpt #: 397 total cpu time spent up to now is 36.7 secs Computing kpt #: 398 total cpu time spent up to now is 36.8 secs Computing kpt #: 399 total cpu time spent up to now is 36.9 secs Computing kpt #: 400 total cpu time spent up to now is 37.1 secs Computing kpt #: 401 total cpu time spent up to now is 37.2 secs Computing kpt #: 402 total cpu time spent up to now is 37.3 secs Computing kpt #: 403 total cpu time spent up to now is 37.4 secs Computing kpt #: 404 total cpu time spent up to now is 37.5 secs Computing kpt #: 405 total cpu time spent up to now is 37.7 secs Computing kpt #: 406 total cpu time spent up to now is 37.8 secs Computing kpt #: 407 total cpu time spent up to now is 38.0 secs Computing kpt #: 408 total cpu time spent up to now is 38.1 secs Computing kpt #: 409 total cpu time spent up to now is 38.3 secs Computing kpt #: 410 total cpu time spent up to now is 38.3 secs Computing kpt #: 411 total cpu time spent up to now is 38.4 secs Computing kpt #: 412 total cpu time spent up to now is 38.5 secs Computing kpt #: 413 total cpu time spent up to now is 38.6 secs Computing kpt #: 414 total cpu time spent up to now is 38.7 secs Computing kpt #: 415 total cpu time spent up to now is 38.8 secs Computing kpt #: 416 total cpu time spent up to now is 38.9 secs Computing kpt #: 417 total cpu time spent up to now is 39.0 secs Computing kpt #: 418 total cpu time spent up to now is 39.0 secs Computing kpt #: 419 total cpu time spent up to now is 39.1 secs Computing kpt #: 420 total cpu time spent up to now is 39.2 secs Computing kpt #: 421 total cpu time spent up to now is 39.3 secs Computing kpt #: 422 total cpu time spent up to now is 39.4 secs Computing kpt #: 423 total cpu time spent up to now is 39.4 secs Computing kpt #: 424 total cpu time spent up to now is 39.5 secs Computing kpt #: 425 total cpu time spent up to now is 39.6 secs Computing kpt #: 426 total cpu time spent up to now is 39.7 secs Computing kpt #: 427 total cpu time spent up to now is 39.8 secs Computing kpt #: 428 total cpu time spent up to now is 39.9 secs Computing kpt #: 429 total cpu time spent up to now is 40.0 secs Computing kpt #: 430 total cpu time spent up to now is 40.1 secs Computing kpt #: 431 total cpu time spent up to now is 40.2 secs Computing kpt #: 432 total cpu time spent up to now is 40.3 secs Computing kpt #: 433 total cpu time spent up to now is 40.4 secs Computing kpt #: 434 total cpu time spent up to now is 40.5 secs Computing kpt #: 435 total cpu time spent up to now is 40.6 secs Computing kpt #: 436 total cpu time spent up to now is 40.7 secs Computing kpt #: 437 total cpu time spent up to now is 40.8 secs Computing kpt #: 438 total cpu time spent up to now is 40.9 secs Computing kpt #: 439 total cpu time spent up to now is 41.0 secs Computing kpt #: 440 total cpu time spent up to now is 41.1 secs Computing kpt #: 441 total cpu time spent up to now is 41.2 secs Computing kpt #: 442 total cpu time spent up to now is 41.3 secs Computing kpt #: 443 total cpu time spent up to now is 41.4 secs Computing kpt #: 444 total cpu time spent up to now is 41.5 secs Computing kpt #: 445 total cpu time spent up to now is 41.5 secs Computing kpt #: 446 total cpu time spent up to now is 41.6 secs Computing kpt #: 447 total cpu time spent up to now is 41.7 secs Computing kpt #: 448 total cpu time spent up to now is 41.8 secs Computing kpt #: 449 total cpu time spent up to now is 41.9 secs Computing kpt #: 450 total cpu time spent up to now is 41.9 secs Computing kpt #: 451 total cpu time spent up to now is 42.0 secs Computing kpt #: 452 total cpu time spent up to now is 42.1 secs Computing kpt #: 453 total cpu time spent up to now is 42.2 secs Computing kpt #: 454 total cpu time spent up to now is 42.3 secs Computing kpt #: 455 total cpu time spent up to now is 42.3 secs Computing kpt #: 456 total cpu time spent up to now is 42.4 secs Computing kpt #: 457 total cpu time spent up to now is 42.5 secs Computing kpt #: 458 total cpu time spent up to now is 42.6 secs Computing kpt #: 459 total cpu time spent up to now is 42.7 secs Computing kpt #: 460 total cpu time spent up to now is 42.8 secs Computing kpt #: 461 total cpu time spent up to now is 42.9 secs Computing kpt #: 462 total cpu time spent up to now is 43.0 secs Computing kpt #: 463 total cpu time spent up to now is 43.1 secs Computing kpt #: 464 total cpu time spent up to now is 43.2 secs Computing kpt #: 465 total cpu time spent up to now is 43.3 secs ethr = 5.56E-08, avg # of iterations = 13.8 total cpu time spent up to now is 43.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1143 PWs) bands (ev): -45.0222 -45.0222 -19.2733 -19.2733 -11.7037 -11.7037 -11.3203 -11.3203 2.7753 2.7753 13.5474 13.5474 13.5777 13.5777 13.6772 13.6772 13.6836 13.6836 20.4698 20.4698 20.6294 20.6294 21.1612 21.1612 21.2641 21.2641 k = 0.0086 0.0050-0.0000 ( 1143 PWs) bands (ev): -45.0221 -45.0221 -19.2734 -19.2734 -11.7038 -11.7038 -11.3207 -11.3207 2.7769 2.7769 13.5489 13.5489 13.5747 13.5747 13.6748 13.6748 13.6826 13.6826 20.4703 20.4703 20.6258 20.6258 21.0980 21.0980 21.2685 21.2686 k = 0.0172 0.0100-0.0000 ( 1143 PWs) bands (ev): -45.0220 -45.0220 -19.2737 -19.2737 -11.7040 -11.7040 -11.3221 -11.3221 2.7818 2.7818 13.5531 13.5531 13.5655 13.5655 13.6680 13.6680 13.6799 13.6799 20.4715 20.4715 20.6137 20.6137 21.0069 21.0069 21.1954 21.1954 k = 0.0259 0.0149-0.0000 ( 1143 PWs) bands (ev): -45.0218 -45.0218 -19.2743 -19.2743 -11.7044 -11.7044 -11.3244 -11.3244 2.7899 2.7899 13.5457 13.5457 13.5628 13.5628 13.6584 13.6584 13.6757 13.6757 20.4722 20.4722 20.5898 20.5898 20.9227 20.9227 21.0953 21.0953 k = 0.0345 0.0199-0.0000 ( 1143 PWs) bands (ev): -45.0216 -45.0216 -19.2751 -19.2751 -11.7049 -11.7049 -11.3276 -11.3276 2.8012 2.8012 13.5185 13.5185 13.5729 13.5729 13.6474 13.6474 13.6705 13.6705 20.4684 20.4684 20.5511 20.5511 20.8531 20.8531 20.9969 20.9969 k = 0.0431 0.0249-0.0000 ( 1143 PWs) bands (ev): -45.0213 -45.0213 -19.2761 -19.2761 -11.7056 -11.7056 -11.3317 -11.3317 2.8157 2.8157 13.4805 13.4805 13.5856 13.5856 13.6359 13.6359 13.6650 13.6650 20.4413 20.4413 20.5111 20.5111 20.7986 20.7986 20.9104 20.9104 k = 0.0517 0.0299-0.0000 ( 1143 PWs) bands (ev): -45.0209 -45.0209 -19.2773 -19.2773 -11.7065 -11.7065 -11.3367 -11.3367 2.8334 2.8334 13.4323 13.4323 13.5970 13.5970 13.6267 13.6267 13.6602 13.6602 20.3664 20.3664 20.4952 20.4952 20.7444 20.7444 20.8511 20.8511 k = 0.0603 0.0348-0.0000 ( 1143 PWs) bands (ev): -45.0204 -45.0204 -19.2788 -19.2788 -11.7076 -11.7076 -11.3425 -11.3425 2.8543 2.8543 13.3747 13.3747 13.5943 13.5943 13.6307 13.6307 13.6578 13.6578 20.2661 20.2661 20.4862 20.4862 20.6788 20.6788 20.8267 20.8267 k = 0.0690 0.0398-0.0000 ( 1143 PWs) bands (ev): -45.0199 -45.0199 -19.2804 -19.2804 -11.7088 -11.7088 -11.3491 -11.3491 2.8784 2.8784 13.3085 13.3085 13.5789 13.5789 13.6387 13.6387 13.6649 13.6649 20.1546 20.1546 20.4737 20.4737 20.6117 20.6117 20.8239 20.8239 k = 0.0776 0.0448-0.0000 ( 1139 PWs) bands (ev): -45.0193 -45.0193 -19.2822 -19.2822 -11.7102 -11.7102 -11.3563 -11.3563 2.9055 2.9055 13.2345 13.2345 13.5590 13.5590 13.6379 13.6379 13.6860 13.6860 20.0372 20.0372 20.4525 20.4525 20.5536 20.5536 20.8324 20.8324 k = 0.0862 0.0498-0.0000 ( 1139 PWs) bands (ev): -45.0186 -45.0186 -19.2843 -19.2843 -11.7118 -11.7118 -11.3644 -11.3644 2.9358 2.9358 13.1534 13.1534 13.5365 13.5365 13.6340 13.6340 13.7132 13.7132 19.9169 19.9169 20.4186 20.4186 20.5103 20.5103 20.8473 20.8473 k = 0.0948 0.0547-0.0000 ( 1139 PWs) bands (ev): -45.0179 -45.0179 -19.2866 -19.2866 -11.7137 -11.7137 -11.3731 -11.3731 2.9691 2.9691 13.0660 13.0660 13.5118 13.5118 13.6291 13.6291 13.7437 13.7437 19.7957 19.7957 20.3749 20.3749 20.4798 20.4798 20.8656 20.8656 k = 0.1034 0.0597-0.0000 ( 1137 PWs) bands (ev): -45.0171 -45.0171 -19.2890 -19.2890 -11.7158 -11.7158 -11.3824 -11.3824 3.0053 3.0053 12.9727 12.9727 13.4853 13.4853 13.6236 13.6236 13.7767 13.7767 19.6749 19.6749 20.3292 20.3292 20.4546 20.4546 20.8851 20.8851 k = 0.1121 0.0647-0.0000 ( 1135 PWs) bands (ev): -45.0163 -45.0163 -19.2916 -19.2916 -11.7181 -11.7181 -11.3922 -11.3922 3.0446 3.0446 12.8743 12.8743 13.4571 13.4571 13.6174 13.6174 13.8117 13.8117 19.5559 19.5559 20.2861 20.2861 20.4307 20.4307 20.9037 20.9037 k = 0.1207 0.0697-0.0000 ( 1131 PWs) bands (ev): -45.0154 -45.0154 -19.2943 -19.2943 -11.7207 -11.7207 -11.4024 -11.4024 3.0868 3.0868 12.7712 12.7712 13.4275 13.4275 13.6106 13.6106 13.8484 13.8484 19.4394 19.4394 20.2472 20.2472 20.4066 20.4066 20.9193 20.9193 k = 0.1293 0.0747-0.0000 ( 1135 PWs) bands (ev): -45.0144 -45.0144 -19.2974 -19.2974 -11.7237 -11.7237 -11.4132 -11.4132 3.1318 3.1318 12.6639 12.6639 13.3967 13.3967 13.6030 13.6030 13.8864 13.8864 19.3264 19.3264 20.2131 20.2131 20.3822 20.3822 20.9302 20.9302 k = 0.1379 0.0796-0.0000 ( 1135 PWs) bands (ev): -45.0134 -45.0134 -19.3006 -19.3006 -11.7270 -11.7270 -11.4243 -11.4243 3.1796 3.1796 12.5529 12.5529 13.3648 13.3648 13.5947 13.5947 13.9252 13.9252 19.2178 19.2178 20.1838 20.1838 20.3577 20.3577 20.9346 20.9346 k = 0.1466 0.0846-0.0000 ( 1135 PWs) bands (ev): -45.0124 -45.0124 -19.3039 -19.3039 -11.7307 -11.7307 -11.4355 -11.4355 3.2302 3.2302 12.4385 12.4385 13.3319 13.3319 13.5856 13.5856 13.9645 13.9645 19.1142 19.1142 20.1590 20.1590 20.3335 20.3335 20.9309 20.9309 k = 0.1552 0.0896-0.0000 ( 1133 PWs) bands (ev): -45.0113 -45.0113 -19.3074 -19.3074 -11.7347 -11.7347 -11.4469 -11.4469 3.2836 3.2836 12.3212 12.3212 13.2983 13.2983 13.5757 13.5757 14.0038 14.0038 19.0165 19.0165 20.1380 20.1380 20.3106 20.3106 20.9177 20.9177 k = 0.1638 0.0946-0.0000 ( 1127 PWs) bands (ev): -45.0101 -45.0101 -19.3108 -19.3108 -11.7392 -11.7392 -11.4583 -11.4583 3.3396 3.3396 12.2014 12.2014 13.2642 13.2642 13.5650 13.5650 14.0427 14.0427 18.9253 18.9253 20.1196 20.1196 20.2901 20.2901 20.8943 20.8943 k = 0.1724 0.0995-0.0000 ( 1127 PWs) bands (ev): -45.0090 -45.0090 -19.3146 -19.3146 -11.7442 -11.7442 -11.4698 -11.4698 3.3982 3.3982 12.0793 12.0793 13.2295 13.2295 13.5534 13.5534 14.0805 14.0805 18.8415 18.8415 20.1025 20.1025 20.2736 20.2736 20.8604 20.8604 k = 0.1810 0.1045-0.0000 ( 1131 PWs) bands (ev): -45.0078 -45.0078 -19.3185 -19.3185 -11.7498 -11.7498 -11.4812 -11.4812 3.4594 3.4594 11.9552 11.9552 13.1946 13.1946 13.5409 13.5409 14.1167 14.1167 18.7658 18.7658 20.0846 20.0846 20.2632 20.2632 20.8162 20.8162 k = 0.1897 0.1095-0.0000 ( 1129 PWs) bands (ev): -45.0066 -45.0066 -19.3224 -19.3224 -11.7558 -11.7558 -11.4922 -11.4922 3.5230 3.5230 11.8293 11.8293 13.1595 13.1595 13.5276 13.5276 14.1508 14.1508 18.6989 18.6989 20.0644 20.0644 20.2602 20.2602 20.7623 20.7623 k = 0.1983 0.1145-0.0000 ( 1133 PWs) bands (ev): -45.0053 -45.0053 -19.3266 -19.3266 -11.7625 -11.7625 -11.5031 -11.5031 3.5891 3.5891 11.7020 11.7020 13.1244 13.1244 13.5135 13.5135 14.1822 14.1822 18.6416 18.6416 20.0412 20.0412 20.2655 20.2655 20.6998 20.6998 k = 0.2069 0.1195-0.0000 ( 1125 PWs) bands (ev): -45.0040 -45.0040 -19.3305 -19.3305 -11.7697 -11.7697 -11.5134 -11.5134 3.6576 3.6576 11.5733 11.5733 13.0894 13.0894 13.4987 13.4987 14.2103 14.2103 18.5946 18.5946 20.0150 20.0150 20.2786 20.2786 20.6304 20.6304 k = 0.2155 0.1244-0.0000 ( 1121 PWs) bands (ev): -45.0027 -45.0027 -19.3346 -19.3346 -11.7775 -11.7775 -11.5232 -11.5232 3.7284 3.7284 11.4436 11.4436 13.0545 13.0545 13.4830 13.4830 14.2346 14.2346 18.5584 18.5584 19.9865 19.9865 20.2981 20.2981 20.5560 20.5560 k = 0.2241 0.1294-0.0000 ( 1121 PWs) bands (ev): -45.0014 -45.0014 -19.3389 -19.3389 -11.7861 -11.7861 -11.5326 -11.5326 3.8015 3.8015 11.3130 11.3130 13.0200 13.0200 13.4667 13.4667 14.2547 14.2547 18.5336 18.5336 19.9563 19.9563 20.3200 20.3200 20.4811 20.4811 k = 0.2328 0.1344-0.0000 ( 1121 PWs) bands (ev): -45.0000 -45.0000 -19.3432 -19.3432 -11.7953 -11.7953 -11.5415 -11.5415 3.8767 3.8767 11.1815 11.1815 12.9859 12.9859 13.4498 13.4498 14.2701 14.2701 18.5208 18.5208 19.9248 19.9248 20.3246 20.3246 20.4262 20.4262 k = 0.2414 0.1394-0.0000 ( 1121 PWs) bands (ev): -44.9987 -44.9987 -19.3475 -19.3475 -11.8051 -11.8051 -11.5497 -11.5497 3.9542 3.9542 11.0495 11.0495 12.9522 12.9522 13.4323 13.4323 14.2806 14.2806 18.5202 18.5202 19.8925 19.8925 20.2699 20.2699 20.4339 20.4339 k = 0.2500 0.1443-0.0000 ( 1121 PWs) bands (ev): -44.9974 -44.9974 -19.3519 -19.3519 -11.8154 -11.8154 -11.5573 -11.5573 4.0337 4.0337 10.9169 10.9169 12.9191 12.9191 13.4142 13.4142 14.2860 14.2860 18.5320 18.5320 19.8597 19.8597 20.1873 20.1873 20.4734 20.4734 k = 0.2586 0.1493-0.0000 ( 1121 PWs) bands (ev): -44.9960 -44.9960 -19.3562 -19.3562 -11.8263 -11.8263 -11.5644 -11.5644 4.1153 4.1153 10.7839 10.7839 12.8867 12.8867 13.3958 13.3958 14.2862 14.2862 18.5564 18.5564 19.8265 19.8265 20.0988 20.0988 20.5232 20.5232 k = 0.2672 0.1543-0.0000 ( 1119 PWs) bands (ev): -44.9947 -44.9947 -19.3605 -19.3605 -11.8376 -11.8376 -11.5707 -11.5707 4.1988 4.1988 10.6506 10.6506 12.8550 12.8550 13.3770 13.3770 14.2814 14.2814 18.5931 18.5931 19.7929 19.7929 20.0090 20.0090 20.5793 20.5793 k = 0.2759 0.1593-0.0000 ( 1121 PWs) bands (ev): -44.9933 -44.9933 -19.3649 -19.3649 -11.8493 -11.8493 -11.5766 -11.5766 4.2843 4.2843 10.5170 10.5170 12.8241 12.8241 13.3580 13.3580 14.2717 14.2717 18.6421 18.6421 19.7586 19.7586 19.9201 19.9201 20.6406 20.6406 k = 0.2845 0.1642-0.0000 ( 1125 PWs) bands (ev): -44.9920 -44.9920 -19.3693 -19.3693 -11.8614 -11.8614 -11.5819 -11.5819 4.3716 4.3716 10.3834 10.3834 12.7940 12.7940 13.3388 13.3388 14.2574 14.2574 18.7026 18.7026 19.7221 19.7221 19.8346 19.8346 20.7063 20.7063 k = 0.2931 0.1692-0.0000 ( 1121 PWs) bands (ev): -44.9907 -44.9907 -19.3735 -19.3735 -11.8734 -11.8734 -11.5867 -11.5867 4.4608 4.4608 10.2497 10.2497 12.7649 12.7649 13.3196 13.3196 14.2390 14.2390 18.7743 18.7743 19.6791 19.6791 19.7580 19.7580 20.7759 20.7759 k = 0.3017 0.1742-0.0000 ( 1125 PWs) bands (ev): -44.9894 -44.9894 -19.3778 -19.3778 -11.8858 -11.8858 -11.5911 -11.5911 4.5517 4.5517 10.1160 10.1160 12.7366 12.7366 13.3003 13.3003 14.2169 14.2169 18.8559 18.8559 19.6207 19.6207 19.7002 19.7002 20.8490 20.8490 k = 0.3103 0.1792-0.0000 ( 1121 PWs) bands (ev): -44.9882 -44.9882 -19.3819 -19.3819 -11.8981 -11.8981 -11.5949 -11.5949 4.6443 4.6443 9.9825 9.9825 12.7094 12.7094 13.2811 13.2811 14.1916 14.1916 18.9458 18.9458 19.5502 19.5502 19.6596 19.6596 20.9252 20.9252 k = 0.3190 0.1842-0.0000 ( 1121 PWs) bands (ev): -44.9869 -44.9869 -19.3859 -19.3859 -11.9103 -11.9103 -11.5985 -11.5985 4.7386 4.7386 9.8491 9.8491 12.6833 12.6833 13.2622 13.2622 14.1636 14.1636 19.0402 19.0402 19.4809 19.4809 19.6264 19.6264 21.0040 21.0040 k = 0.3276 0.1891-0.0000 ( 1125 PWs) bands (ev): -44.9857 -44.9857 -19.3900 -19.3900 -11.9226 -11.9226 -11.6017 -11.6017 4.8345 4.8345 9.7159 9.7159 12.6582 12.6582 13.2435 13.2435 14.1335 14.1335 19.1283 19.1283 19.4277 19.4277 19.5966 19.5966 21.0850 21.0850 k = 0.3362 0.1941-0.0000 ( 1130 PWs) bands (ev): -44.9846 -44.9846 -19.3940 -19.3940 -11.9347 -11.9347 -11.6046 -11.6046 4.9318 4.9318 9.5830 9.5830 12.6342 12.6342 13.2251 13.2251 14.1018 14.1018 19.1759 19.1759 19.4252 19.4252 19.5693 19.5693 21.1677 21.1677 k = 0.3448 0.1991-0.0000 ( 1122 PWs) bands (ev): -44.9834 -44.9834 -19.3975 -19.3975 -11.9462 -11.9462 -11.6071 -11.6071 5.0307 5.0307 9.4505 9.4505 12.6113 12.6113 13.2072 13.2072 14.0690 14.0690 19.1556 19.1556 19.4955 19.4955 19.5494 19.5494 21.2517 21.2517 k = 0.3534 0.2041-0.0000 ( 1122 PWs) bands (ev): -44.9823 -44.9823 -19.4011 -19.4011 -11.9576 -11.9576 -11.6094 -11.6094 5.1309 5.1309 9.3183 9.3183 12.5896 12.5896 13.1898 13.1898 14.0356 14.0356 19.1030 19.1030 19.5108 19.5108 19.6288 19.6288 21.3363 21.3363 k = 0.3621 0.2090-0.0000 ( 1122 PWs) bands (ev): -44.9813 -44.9813 -19.4046 -19.4046 -11.9687 -11.9687 -11.6115 -11.6115 5.2325 5.2325 9.1867 9.1867 12.5690 12.5690 13.1730 13.1730 14.0021 14.0021 19.0424 19.0424 19.4889 19.4889 19.7650 19.7650 21.4211 21.4211 k = 0.3707 0.2140-0.0000 ( 1126 PWs) bands (ev): -44.9803 -44.9803 -19.4080 -19.4080 -11.9793 -11.9793 -11.6135 -11.6135 5.3353 5.3353 9.0557 9.0557 12.5496 12.5496 13.1569 13.1569 13.9688 13.9688 18.9812 18.9812 19.4668 19.4668 19.9133 19.9133 21.5056 21.5056 k = 0.3793 0.2190-0.0000 ( 1126 PWs) bands (ev): -44.9793 -44.9793 -19.4112 -19.4112 -11.9894 -11.9894 -11.6151 -11.6151 5.4393 5.4393 8.9253 8.9253 12.5315 12.5315 13.1415 13.1415 13.9361 13.9361 18.9216 18.9216 19.4456 19.4456 20.0697 20.0697 21.5890 21.5890 k = 0.3879 0.2240-0.0000 ( 1128 PWs) bands (ev): -44.9784 -44.9784 -19.4142 -19.4142 -11.9991 -11.9991 -11.6166 -11.6166 5.5444 5.5444 8.7957 8.7957 12.5145 12.5145 13.1269 13.1269 13.9044 13.9044 18.8649 18.8649 19.4257 19.4257 20.2323 20.2323 21.6709 21.6709 k = 0.3966 0.2289-0.0000 ( 1122 PWs) bands (ev): -44.9776 -44.9776 -19.4169 -19.4169 -12.0080 -12.0080 -11.6178 -11.6178 5.6504 5.6504 8.6670 8.6670 12.4988 12.4988 13.1131 13.1131 13.8740 13.8740 18.8114 18.8114 19.4071 19.4071 20.4001 20.4001 21.7506 21.7506 k = 0.4052 0.2339-0.0000 ( 1118 PWs) bands (ev): -44.9768 -44.9768 -19.4194 -19.4194 -12.0164 -12.0164 -11.6190 -11.6190 5.7573 5.7573 8.5393 8.5393 12.4843 12.4843 13.1003 13.1003 13.8451 13.8451 18.7615 18.7615 19.3898 19.3898 20.5718 20.5718 21.8274 21.8274 k = 0.4138 0.2389-0.0000 ( 1118 PWs) bands (ev): -44.9760 -44.9760 -19.4218 -19.4218 -12.0242 -12.0242 -11.6200 -11.6200 5.8647 5.8647 8.4128 8.4128 12.4711 12.4711 13.0884 13.0884 13.8180 13.8180 18.7156 18.7156 19.3739 19.3739 20.7464 20.7464 21.9008 21.9008 k = 0.4224 0.2439-0.0000 ( 1118 PWs) bands (ev): -44.9754 -44.9754 -19.4240 -19.4240 -12.0314 -12.0314 -11.6209 -11.6209 5.9725 5.9725 8.2877 8.2877 12.4591 12.4591 13.0775 13.0775 13.7929 13.7929 18.6736 18.6736 19.3595 19.3595 20.9226 20.9226 21.9703 21.9703 k = 0.4310 0.2489-0.0000 ( 1118 PWs) bands (ev): -44.9748 -44.9748 -19.4260 -19.4260 -12.0379 -12.0379 -11.6217 -11.6217 6.0803 6.0803 8.1644 8.1644 12.4484 12.4484 13.0676 13.0676 13.7700 13.7700 18.6358 18.6358 19.3465 19.3465 21.0989 21.0989 22.0354 22.0354 k = 0.4397 0.2538-0.0000 ( 1122 PWs) bands (ev): -44.9742 -44.9742 -19.4279 -19.4279 -12.0437 -12.0437 -11.6224 -11.6224 6.1876 6.1876 8.0434 8.0434 12.4389 12.4389 13.0588 13.0588 13.7494 13.7494 18.6022 18.6022 19.3350 19.3350 21.2732 21.2732 22.0961 22.0961 k = 0.4483 0.2588-0.0000 ( 1116 PWs) bands (ev): -44.9738 -44.9738 -19.4293 -19.4293 -12.0487 -12.0487 -11.6230 -11.6230 6.2938 6.2938 7.9255 7.9255 12.4307 12.4307 13.0511 13.0511 13.7314 13.7314 18.5730 18.5730 19.3249 19.3249 21.4425 21.4425 22.1525 22.1525 k = 0.4569 0.2638-0.0000 ( 1116 PWs) bands (ev): -44.9734 -44.9734 -19.4306 -19.4306 -12.0530 -12.0530 -11.6235 -11.6235 6.3977 6.3977 7.8116 7.8116 12.4237 12.4237 13.0446 13.0446 13.7159 13.7159 18.5482 18.5482 19.3164 19.3164 21.6025 21.6025 22.2056 22.2056 k = 0.4655 0.2688-0.0000 ( 1118 PWs) bands (ev): -44.9730 -44.9730 -19.4317 -19.4317 -12.0565 -12.0565 -11.6239 -11.6239 6.4973 6.4973 7.7038 7.7038 12.4180 12.4180 13.0392 13.0392 13.7031 13.7031 18.5278 18.5278 19.3095 19.3095 21.7468 21.7468 22.2571 22.2571 k = 0.4741 0.2737-0.0000 ( 1118 PWs) bands (ev): -44.9728 -44.9728 -19.4326 -19.4326 -12.0593 -12.0593 -11.6242 -11.6242 6.5893 6.5893 7.6054 7.6054 12.4136 12.4136 13.0350 13.0350 13.6930 13.6930 18.5119 18.5119 19.3040 19.3040 21.8670 21.8670 22.3087 22.3087 k = 0.4828 0.2787-0.0000 ( 1112 PWs) bands (ev): -44.9726 -44.9726 -19.4331 -19.4331 -12.0612 -12.0612 -11.6243 -11.6243 6.6680 6.6680 7.5223 7.5223 12.4104 12.4104 13.0320 13.0320 13.6858 13.6858 18.5005 18.5005 19.3001 19.3001 21.9549 21.9549 22.3591 22.3591 k = 0.4914 0.2837-0.0000 ( 1114 PWs) bands (ev): -44.9725 -44.9725 -19.4335 -19.4335 -12.0624 -12.0624 -11.6245 -11.6245 6.7236 6.7236 7.4639 7.4639 12.4085 12.4085 13.0302 13.0302 13.6815 13.6815 18.4937 18.4937 19.2978 19.2978 22.0067 22.0067 22.3997 22.3997 k = 0.5000 0.2887-0.0000 ( 1114 PWs) bands (ev): -44.9725 -44.9725 -19.4336 -19.4336 -12.0628 -12.0628 -11.6245 -11.6245 6.7443 6.7443 7.4424 7.4424 12.4079 12.4079 13.0296 13.0296 13.6800 13.6800 18.4914 18.4914 19.2970 19.2970 22.0234 22.0234 22.4157 22.4157 k = 0.5000 0.2887-0.0000 ( 1114 PWs) bands (ev): -44.9725 -44.9725 -19.4336 -19.4336 -12.0628 -12.0628 -11.6245 -11.6245 6.7443 6.7443 7.4424 7.4424 12.4079 12.4079 13.0296 13.0296 13.6800 13.6800 18.4914 18.4914 19.2970 19.2970 22.0234 22.0234 22.4157 22.4157 k = 0.4951 0.2972-0.0000 ( 1114 PWs) bands (ev): -44.9724 -44.9724 -19.4336 -19.4336 -12.0627 -12.0627 -11.6248 -11.6248 6.7460 6.7460 7.4431 7.4431 12.4092 12.4092 13.0018 13.0018 13.7074 13.7074 18.4469 18.4469 19.3441 19.3441 22.0091 22.0091 22.3330 22.3330 k = 0.4902 0.3057-0.0000 ( 1114 PWs) bands (ev): -44.9724 -44.9724 -19.4337 -19.4337 -12.0623 -12.0623 -11.6258 -11.6258 6.7510 6.7510 7.4451 7.4451 12.4132 12.4132 12.9289 12.9289 13.7789 13.7789 18.3353 18.3353 19.4633 19.4633 21.9561 21.9561 22.2304 22.2304 k = 0.4853 0.3141-0.0000 ( 1116 PWs) bands (ev): -44.9724 -44.9724 -19.4339 -19.4339 -12.0617 -12.0617 -11.6275 -11.6275 6.7595 6.7595 7.4484 7.4484 12.4197 12.4197 12.8290 12.8290 13.8766 13.8766 18.1896 18.1896 19.6216 19.6216 21.8528 21.8528 22.1691 22.1691 k = 0.4804 0.3226-0.0000 ( 1116 PWs) bands (ev): -44.9723 -44.9723 -19.4341 -19.4341 -12.0607 -12.0607 -11.6297 -11.6297 6.7713 6.7713 7.4532 7.4532 12.4289 12.4289 12.7142 12.7142 13.9884 13.9884 18.0286 18.0286 19.8003 19.8003 21.7169 21.7169 22.1370 22.1370 k = 0.4755 0.3311-0.0000 ( 1112 PWs) bands (ev): -44.9722 -44.9722 -19.4343 -19.4343 -12.0596 -12.0596 -11.6325 -11.6325 6.7865 6.7865 7.4592 7.4592 12.4405 12.4405 12.5910 12.5910 14.1081 14.1081 17.8609 17.8609 19.9906 19.9906 21.5685 21.5685 22.1151 22.1151 k = 0.4706 0.3396-0.0000 ( 1120 PWs) bands (ev): -44.9720 -44.9720 -19.4348 -19.4348 -12.0583 -12.0583 -11.6362 -11.6362 6.8050 6.8050 7.4666 7.4666 12.4482 12.4482 12.4689 12.4689 14.2327 14.2327 17.6907 17.6907 20.1884 20.1884 21.4162 21.4162 22.0945 22.0945 k = 0.4657 0.3481-0.0000 ( 1116 PWs) bands (ev): -44.9719 -44.9719 -19.4351 -19.4351 -12.0565 -12.0565 -11.6402 -11.6402 6.8267 6.8267 7.4754 7.4754 12.3281 12.3281 12.4736 12.4736 14.3605 14.3605 17.5202 17.5202 20.3916 20.3916 21.2636 21.2636 22.0713 22.0713 k = 0.4608 0.3566-0.0000 ( 1118 PWs) bands (ev): -44.9717 -44.9717 -19.4356 -19.4356 -12.0546 -12.0546 -11.6450 -11.6450 6.8517 6.8517 7.4856 7.4856 12.1932 12.1932 12.4930 12.4930 14.4906 14.4906 17.3504 17.3504 20.5986 20.5986 21.1123 21.1123 22.0434 22.0434 k = 0.4559 0.3651-0.0000 ( 1118 PWs) bands (ev): -44.9715 -44.9715 -19.4361 -19.4361 -12.0525 -12.0525 -11.6501 -11.6501 6.8798 6.8798 7.4971 7.4971 12.0561 12.0561 12.5154 12.5154 14.6227 14.6227 17.1821 17.1821 20.8078 20.8078 20.9639 20.9639 22.0097 22.0097 k = 0.4510 0.3736-0.0000 ( 1122 PWs) bands (ev): -44.9714 -44.9714 -19.4367 -19.4367 -12.0502 -12.0502 -11.6559 -11.6559 6.9111 6.9111 7.5100 7.5100 11.9172 11.9172 12.5404 12.5404 14.7566 14.7566 17.0159 17.0159 20.8125 20.8125 21.0249 21.0249 21.9692 21.9692 k = 0.4461 0.3821-0.0000 ( 1122 PWs) bands (ev): -44.9711 -44.9711 -19.4373 -19.4373 -12.0477 -12.0477 -11.6620 -11.6620 6.9454 6.9454 7.5244 7.5244 11.7770 11.7770 12.5681 12.5681 14.8920 14.8920 16.8520 16.8520 20.6684 20.6684 21.2395 21.2395 21.9217 21.9217 k = 0.4412 0.3906-0.0000 ( 1122 PWs) bands (ev): -44.9709 -44.9709 -19.4379 -19.4379 -12.0450 -12.0450 -11.6685 -11.6685 6.9827 6.9827 7.5402 7.5402 11.6357 11.6357 12.5984 12.5984 15.0289 15.0289 16.6908 16.6908 20.5262 20.5262 21.4563 21.4563 21.8676 21.8676 k = 0.4363 0.3991-0.0000 ( 1122 PWs) bands (ev): -44.9707 -44.9707 -19.4386 -19.4386 -12.0420 -12.0420 -11.6755 -11.6755 7.0228 7.0228 7.5575 7.5575 11.4934 11.4934 12.6314 12.6314 15.1672 15.1672 16.5326 16.5326 20.3867 20.3867 21.6697 21.6697 21.8115 21.8115 k = 0.4314 0.4075-0.0000 ( 1128 PWs) bands (ev): -44.9704 -44.9704 -19.4394 -19.4394 -12.0391 -12.0391 -11.6828 -11.6828 7.0658 7.0658 7.5763 7.5763 11.3504 11.3504 12.6670 12.6670 15.3068 15.3068 16.3777 16.3777 20.2500 20.2500 21.7245 21.7245 21.9085 21.9085 k = 0.4265 0.4160-0.0000 ( 1132 PWs) bands (ev): -44.9702 -44.9702 -19.4403 -19.4403 -12.0359 -12.0359 -11.6904 -11.6904 7.1114 7.1114 7.5967 7.5967 11.2068 11.2068 12.7052 12.7052 15.4471 15.4471 16.2268 16.2268 20.1163 20.1163 21.6526 21.6526 22.1270 22.1270 k = 0.4216 0.4245-0.0000 ( 1136 PWs) bands (ev): -44.9699 -44.9699 -19.4411 -19.4411 -12.0326 -12.0326 -11.6982 -11.6982 7.1596 7.1596 7.6186 7.6186 11.0627 11.0627 12.7460 12.7460 15.5862 15.5862 16.0820 16.0820 19.9857 19.9857 21.5711 21.5711 22.3502 22.3502 k = 0.4167 0.4330-0.0000 ( 1136 PWs) bands (ev): -44.9696 -44.9696 -19.4419 -19.4419 -12.0291 -12.0291 -11.7062 -11.7062 7.2102 7.2102 7.6423 7.6423 10.9183 10.9183 12.7894 12.7894 15.7129 15.7129 15.9545 15.9545 19.8583 19.8583 21.4834 21.4834 22.5748 22.5748 k = 0.4118 0.4415-0.0000 ( 1136 PWs) bands (ev): -44.9693 -44.9693 -19.4426 -19.4426 -12.0255 -12.0255 -11.7142 -11.7142 7.2630 7.2630 7.6677 7.6677 10.7737 10.7737 12.8354 12.8354 15.7313 15.7313 15.9404 15.9404 19.7340 19.7340 21.3905 21.3905 22.8002 22.8002 k = 0.4069 0.4500-0.0000 ( 1136 PWs) bands (ev): -44.9690 -44.9690 -19.4434 -19.4434 -12.0219 -12.0219 -11.7223 -11.7223 7.3178 7.3178 7.6950 7.6950 10.6291 10.6291 12.8840 12.8840 15.6172 15.6172 16.0639 16.0639 19.6131 19.6131 21.2932 21.2932 23.0261 23.0261 k = 0.4020 0.4585-0.0000 ( 1136 PWs) bands (ev): -44.9688 -44.9688 -19.4442 -19.4442 -12.0183 -12.0183 -11.7303 -11.7303 7.3743 7.3743 7.7245 7.7245 10.4845 10.4845 12.9352 12.9352 15.4860 15.4860 16.2096 16.2096 19.4954 19.4954 21.1921 21.1921 23.2519 23.2519 k = 0.3971 0.4670-0.0000 ( 1140 PWs) bands (ev): -44.9685 -44.9685 -19.4451 -19.4451 -12.0147 -12.0147 -11.7384 -11.7384 7.4321 7.4321 7.7563 7.7563 10.3401 10.3401 12.9890 12.9890 15.3544 15.3544 16.3609 16.3609 19.3811 19.3811 21.0879 21.0879 23.4773 23.4773 k = 0.3922 0.4755-0.0000 ( 1140 PWs) bands (ev): -44.9682 -44.9682 -19.4458 -19.4458 -12.0112 -12.0112 -11.7461 -11.7461 7.4910 7.4910 7.7907 7.7907 10.1960 10.1960 13.0454 13.0454 15.2247 15.2247 16.5151 16.5151 19.2702 19.2702 20.9814 20.9814 23.7017 23.7017 k = 0.3873 0.4840-0.0000 ( 1136 PWs) bands (ev): -44.9679 -44.9679 -19.4465 -19.4465 -12.0076 -12.0076 -11.7536 -11.7536 7.5501 7.5501 7.8282 7.8282 10.0526 10.0526 13.1043 13.1043 15.0978 15.0978 16.6713 16.6713 19.1627 19.1627 20.8731 20.8731 23.9247 23.9247 k = 0.3824 0.4924-0.0000 ( 1132 PWs) bands (ev): -44.9677 -44.9677 -19.4471 -19.4471 -12.0042 -12.0042 -11.7608 -11.7608 7.6090 7.6090 7.8693 7.8693 9.9098 9.9098 13.1657 13.1657 14.9740 14.9740 16.8288 16.8288 19.0588 19.0588 20.7639 20.7639 24.1454 24.1454 k = 0.3775 0.5009-0.0000 ( 1132 PWs) bands (ev): -44.9674 -44.9674 -19.4478 -19.4478 -12.0010 -12.0010 -11.7676 -11.7676 7.6667 7.6667 7.9145 7.9145 9.7681 9.7681 13.2297 13.2297 14.8534 14.8534 16.9871 16.9871 18.9585 18.9585 20.6547 20.6547 24.3630 24.3630 k = 0.3725 0.5094-0.0000 ( 1128 PWs) bands (ev): -44.9672 -44.9672 -19.4483 -19.4483 -11.9979 -11.9979 -11.7739 -11.7739 7.7226 7.7226 7.9643 7.9643 9.6276 9.6276 13.2963 13.2963 14.7362 14.7362 17.1455 17.1455 18.8618 18.8618 20.5463 20.5463 24.5765 24.5765 k = 0.3676 0.5179-0.0000 ( 1122 PWs) bands (ev): -44.9670 -44.9670 -19.4488 -19.4488 -11.9952 -11.9952 -11.7796 -11.7796 7.7759 7.7759 8.0189 8.0189 9.4889 9.4889 13.3653 13.3653 14.6224 14.6224 17.3029 17.3029 18.7688 18.7688 20.4400 20.4400 24.7845 24.7845 k = 0.3627 0.5264-0.0000 ( 1118 PWs) bands (ev): -44.9668 -44.9668 -19.4492 -19.4492 -11.9927 -11.9927 -11.7847 -11.7847 7.8264 7.8264 8.0781 8.0781 9.3527 9.3527 13.4368 13.4368 14.5120 14.5120 17.4581 17.4581 18.6797 18.6797 20.3371 20.3371 24.9852 24.9852 k = 0.3578 0.5349-0.0000 ( 1118 PWs) bands (ev): -44.9666 -44.9666 -19.4497 -19.4497 -11.9906 -11.9906 -11.7892 -11.7892 7.8739 7.8739 8.1408 8.1408 9.2198 9.2198 13.5107 13.5107 14.4051 14.4051 17.6091 17.6091 18.5947 18.5947 20.2397 20.2397 25.1764 25.1764 k = 0.3529 0.5434-0.0000 ( 1118 PWs) bands (ev): -44.9665 -44.9665 -19.4501 -19.4501 -11.9890 -11.9890 -11.7929 -11.7929 7.9182 7.9182 8.2056 8.2056 9.0922 9.0922 13.5870 13.5870 14.3019 14.3019 17.7534 17.7534 18.5141 18.5141 20.1501 20.1501 25.3551 25.3551 k = 0.3480 0.5519-0.0000 ( 1122 PWs) bands (ev): -44.9664 -44.9664 -19.4505 -19.4505 -11.9877 -11.9877 -11.7959 -11.7959 7.9590 7.9590 8.2693 8.2693 8.9732 8.9732 13.6655 13.6655 14.2025 14.2025 17.8869 17.8869 18.4388 18.4388 20.0716 20.0716 25.5173 25.5173 k = 0.3431 0.5604-0.0000 ( 1120 PWs) bands (ev): -44.9663 -44.9663 -19.4507 -19.4507 -11.9868 -11.9868 -11.7980 -11.7980 7.9949 7.9949 8.3270 8.3270 8.8695 8.8695 13.7459 13.7459 14.1072 14.1072 18.0031 18.0031 18.3710 18.3710 20.0087 20.0087 25.6569 25.6569 k = 0.3382 0.5689-0.0000 ( 1120 PWs) bands (ev): -44.9662 -44.9662 -19.4509 -19.4509 -11.9863 -11.9863 -11.7992 -11.7992 8.0223 8.0223 8.3683 8.3683 8.7945 8.7945 13.8263 13.8263 14.0178 14.0178 18.0901 18.0901 18.3175 18.3175 19.9666 19.9666 25.7621 25.7621 k = 0.3333 0.5774-0.0000 ( 1128 PWs) bands (ev): -44.9662 -44.9662 -19.4511 -19.4511 -11.9863 -11.9863 -11.7997 -11.7997 8.0340 8.0340 8.3821 8.3821 8.7670 8.7670 13.8829 13.8829 13.9582 13.9582 18.1237 18.1237 18.2962 18.2962 19.9513 19.9513 25.8047 25.8047 k = 0.3333 0.5774-0.0000 ( 1128 PWs) bands (ev): -44.9662 -44.9662 -19.4511 -19.4511 -11.9863 -11.9863 -11.7997 -11.7997 8.0340 8.0340 8.3821 8.3821 8.7670 8.7670 13.8829 13.8829 13.9582 13.9582 18.1237 18.1237 18.2962 18.2962 19.9513 19.9513 25.8047 25.8047 k = 0.3284 0.5687-0.0000 ( 1124 PWs) bands (ev): -44.9663 -44.9663 -19.4509 -19.4509 -11.9864 -11.9864 -11.7993 -11.7993 8.0173 8.0173 8.3763 8.3763 8.7916 8.7916 13.8256 13.8256 14.0185 14.0185 18.0990 18.0990 18.3068 18.3068 19.9684 19.9684 25.7701 25.7701 k = 0.3234 0.5601-0.0000 ( 1124 PWs) bands (ev): -44.9663 -44.9663 -19.4508 -19.4508 -11.9867 -11.9867 -11.7981 -11.7981 7.9625 7.9625 8.3782 8.3782 8.8509 8.8509 13.7457 13.7457 14.1076 14.1076 18.0512 18.0512 18.3110 18.3110 20.0208 20.0208 25.7003 25.7003 k = 0.3184 0.5515-0.0000 ( 1124 PWs) bands (ev): -44.9664 -44.9664 -19.4505 -19.4505 -11.9873 -11.9873 -11.7962 -11.7962 7.8756 7.8756 8.3986 8.3986 8.9280 8.9280 13.6671 13.6671 14.2016 14.2016 17.9989 17.9989 18.2918 18.2918 20.1067 20.1067 25.6201 25.6201 k = 0.3134 0.5429-0.0000 ( 1130 PWs) bands (ev): -44.9666 -44.9666 -19.4502 -19.4502 -11.9880 -11.9880 -11.7937 -11.7937 7.7693 7.7693 8.4330 8.4330 9.0147 9.0147 13.5915 13.5915 14.2986 14.2986 17.9471 17.9471 18.2488 18.2488 20.2214 20.2214 25.5360 25.5360 k = 0.3085 0.5343-0.0000 ( 1126 PWs) bands (ev): -44.9667 -44.9667 -19.4495 -19.4495 -11.9885 -11.9885 -11.7905 -11.7905 7.6527 7.6527 8.4761 8.4761 9.1073 9.1073 13.5192 13.5192 14.3984 14.3984 17.8972 17.8972 18.1865 18.1865 20.3588 20.3588 25.4500 25.4500 k = 0.3035 0.5256-0.0000 ( 1130 PWs) bands (ev): -44.9670 -44.9670 -19.4489 -19.4489 -11.9891 -11.9891 -11.7870 -11.7870 7.5308 7.5308 8.5247 8.5247 9.2039 9.2039 13.4505 13.4505 14.5006 14.5006 17.8493 17.8493 18.1101 18.1101 20.5130 20.5130 25.3632 25.3632 k = 0.2985 0.5170-0.0000 ( 1130 PWs) bands (ev): -44.9672 -44.9672 -19.4481 -19.4481 -11.9895 -11.9895 -11.7828 -11.7828 7.4062 7.4062 8.5772 8.5772 9.3036 9.3036 13.3854 13.3854 14.6052 14.6052 17.8030 17.8030 18.0244 18.0244 20.6793 20.6793 25.2759 25.2759 k = 0.2935 0.5084-0.0000 ( 1134 PWs) bands (ev): -44.9676 -44.9676 -19.4472 -19.4472 -11.9897 -11.9897 -11.7784 -11.7784 7.2802 7.2802 8.6327 8.6327 9.4058 9.4058 13.3238 13.3238 14.7122 14.7122 17.7564 17.7564 17.9347 17.9347 20.8538 20.8538 25.1885 25.1885 k = 0.2886 0.4998-0.0000 ( 1134 PWs) bands (ev): -44.9679 -44.9679 -19.4461 -19.4461 -11.9895 -11.9895 -11.7735 -11.7735 7.1538 7.1538 8.6908 8.6908 9.5100 9.5100 13.2658 13.2658 14.8215 14.8215 17.7042 17.7042 17.8486 17.8486 21.0334 21.0334 25.1011 25.1011 k = 0.2836 0.4912-0.0000 ( 1136 PWs) bands (ev): -44.9684 -44.9684 -19.4448 -19.4448 -11.9891 -11.9891 -11.7684 -11.7684 7.0276 7.0276 8.7511 8.7511 9.6160 9.6160 13.2114 13.2114 14.9331 14.9331 17.6366 17.6366 17.7778 17.7778 21.2158 21.2158 25.0139 25.0139 k = 0.2786 0.4826-0.0000 ( 1136 PWs) bands (ev): -44.9688 -44.9688 -19.4434 -19.4434 -11.9881 -11.9881 -11.7631 -11.7631 6.9018 6.9018 8.8135 8.8135 9.7236 9.7236 13.1606 13.1606 15.0469 15.0469 17.5486 17.5486 17.7285 17.7285 21.3988 21.3988 24.9269 24.9269 k = 0.2736 0.4739-0.0000 ( 1136 PWs) bands (ev): -44.9694 -44.9694 -19.4418 -19.4418 -11.9868 -11.9868 -11.7575 -11.7575 6.7767 6.7767 8.8780 8.8780 9.8327 9.8327 13.1133 13.1133 15.1628 15.1628 17.4474 17.4474 17.6944 17.6944 21.5803 21.5803 24.8403 24.8403 k = 0.2687 0.4653-0.0000 ( 1139 PWs) bands (ev): -44.9699 -44.9699 -19.4401 -19.4401 -11.9850 -11.9850 -11.7519 -11.7519 6.6526 6.6526 8.9443 8.9443 9.9430 9.9430 13.0695 13.0695 15.2808 15.2808 17.3401 17.3401 17.6692 17.6692 21.7587 21.7587 24.7540 24.7540 k = 0.2637 0.4567-0.0000 ( 1135 PWs) bands (ev): -44.9705 -44.9705 -19.4380 -19.4380 -11.9826 -11.9826 -11.7459 -11.7459 6.5294 6.5294 9.0125 9.0125 10.0545 10.0545 13.0293 13.0293 15.4008 15.4008 17.2301 17.2301 17.6502 17.6502 21.9318 21.9318 24.6675 24.6675 k = 0.2587 0.4481-0.0000 ( 1127 PWs) bands (ev): -44.9712 -44.9712 -19.4357 -19.4357 -11.9796 -11.9796 -11.7398 -11.7398 6.4075 6.4075 9.0825 9.0825 10.1669 10.1669 12.9925 12.9925 15.5226 15.5226 17.1190 17.1190 17.6362 17.6362 22.0977 22.0977 24.5781 24.5781 k = 0.2537 0.4395-0.0000 ( 1119 PWs) bands (ev): -44.9719 -44.9719 -19.4333 -19.4333 -11.9761 -11.9761 -11.7337 -11.7337 6.2867 6.2867 9.1544 9.1544 10.2803 10.2803 12.9591 12.9591 15.6461 15.6461 17.0077 17.0077 17.6266 17.6266 22.2541 22.2541 24.4471 24.4471 k = 0.2488 0.4309-0.0000 ( 1119 PWs) bands (ev): -44.9727 -44.9727 -19.4309 -19.4309 -11.9722 -11.9722 -11.7275 -11.7275 6.1673 6.1673 9.2280 9.2280 10.3945 10.3945 12.9291 12.9291 15.7710 15.7710 16.8971 16.8971 17.6213 17.6213 22.3981 22.3981 24.2582 24.2582 k = 0.2438 0.4222-0.0000 ( 1123 PWs) bands (ev): -44.9735 -44.9735 -19.4284 -19.4284 -11.9677 -11.9677 -11.7214 -11.7214 6.0492 6.0492 9.3035 9.3035 10.5093 10.5093 12.9025 12.9025 15.8968 15.8968 16.7879 16.7879 17.6199 17.6199 22.5258 22.5258 24.0652 24.0652 k = 0.2388 0.4136-0.0000 ( 1123 PWs) bands (ev): -44.9744 -44.9744 -19.4257 -19.4257 -11.9627 -11.9627 -11.7151 -11.7151 5.9325 5.9325 9.3807 9.3807 10.6246 10.6246 12.8792 12.8792 16.0223 16.0223 16.6816 16.6816 17.6225 17.6225 22.6315 22.6315 23.8797 23.8797 k = 0.2338 0.4050-0.0000 ( 1123 PWs) bands (ev): -44.9753 -44.9753 -19.4228 -19.4228 -11.9572 -11.9572 -11.7087 -11.7087 5.8173 5.8173 9.4597 9.4597 10.7403 10.7403 12.8592 12.8592 16.1441 16.1441 16.5817 16.5817 17.6289 17.6289 22.7058 22.7058 23.7124 23.7124 k = 0.2289 0.3964-0.0000 ( 1123 PWs) bands (ev): -44.9762 -44.9762 -19.4197 -19.4197 -11.9511 -11.9511 -11.7024 -11.7024 5.7036 5.7036 9.5405 9.5405 10.8564 10.8564 12.8424 12.8424 16.2465 16.2465 16.5038 16.5038 17.6391 17.6391 22.7336 22.7336 23.5791 23.5791 k = 0.2239 0.3878-0.0000 ( 1121 PWs) bands (ev): -44.9772 -44.9772 -19.4165 -19.4165 -11.9445 -11.9445 -11.6959 -11.6959 5.5915 5.5915 9.6231 9.6231 10.9725 10.9725 12.8288 12.8288 16.2670 16.2670 16.5108 16.5108 17.6530 17.6530 22.6992 22.6992 23.4960 23.4960 k = 0.2189 0.3792-0.0000 ( 1123 PWs) bands (ev): -44.9783 -44.9783 -19.4132 -19.4132 -11.9375 -11.9375 -11.6894 -11.6894 5.4810 5.4810 9.7074 9.7074 11.0886 11.0886 12.8183 12.8183 16.1969 16.1969 16.6111 16.6111 17.6706 17.6706 22.6020 22.6020 23.4640 23.4640 k = 0.2139 0.3705-0.0000 ( 1123 PWs) bands (ev): -44.9793 -44.9793 -19.4098 -19.4098 -11.9300 -11.9300 -11.6828 -11.6828 5.3721 5.3721 9.7935 9.7935 11.2046 11.2046 12.8108 12.8108 16.1033 16.1033 16.7378 16.7378 17.6920 17.6920 22.4609 22.4609 23.4640 23.4640 k = 0.2090 0.3619-0.0000 ( 1127 PWs) bands (ev): -44.9805 -44.9805 -19.4063 -19.4063 -11.9221 -11.9221 -11.6762 -11.6762 5.2648 5.2648 9.8813 9.8813 11.3202 11.3202 12.8063 12.8063 16.0048 16.0048 16.8720 16.8720 17.7169 17.7169 22.2966 22.2966 23.4738 23.4738 k = 0.2040 0.3533-0.0000 ( 1127 PWs) bands (ev): -44.9816 -44.9816 -19.4026 -19.4026 -11.9138 -11.9138 -11.6694 -11.6694 5.1592 5.1592 9.9709 9.9709 11.4352 11.4352 12.8048 12.8048 15.9055 15.9055 17.0096 17.0096 17.7455 17.7455 22.1218 22.1218 23.4656 23.4656 k = 0.1990 0.3447-0.0000 ( 1127 PWs) bands (ev): -44.9828 -44.9828 -19.3988 -19.3988 -11.9051 -11.9051 -11.6626 -11.6626 5.0554 5.0554 10.0621 10.0621 11.5496 11.5496 12.8061 12.8061 15.8067 15.8067 17.1493 17.1493 17.7778 17.7778 21.9436 21.9436 23.3932 23.3932 k = 0.1940 0.3361-0.0000 ( 1127 PWs) bands (ev): -44.9840 -44.9840 -19.3948 -19.3948 -11.8962 -11.8962 -11.6556 -11.6556 4.9534 4.9534 10.1551 10.1551 11.6629 11.6629 12.8103 12.8103 15.7091 15.7091 17.2901 17.2901 17.8139 17.8139 21.7660 21.7660 23.2861 23.2861 k = 0.1891 0.3275-0.0000 ( 1127 PWs) bands (ev): -44.9853 -44.9853 -19.3908 -19.3908 -11.8869 -11.8869 -11.6485 -11.6485 4.8531 4.8531 10.2497 10.2497 11.7751 11.7751 12.8171 12.8171 15.6127 15.6127 17.4315 17.4315 17.8538 17.8538 21.5912 21.5912 23.1730 23.1730 k = 0.1841 0.3188-0.0000 ( 1127 PWs) bands (ev): -44.9866 -44.9866 -19.3867 -19.3867 -11.8775 -11.8775 -11.6411 -11.6411 4.7547 4.7547 10.3460 10.3460 11.8859 11.8859 12.8267 12.8267 15.5179 15.5179 17.5728 17.5728 17.8980 17.8980 21.4209 21.4209 23.0593 23.0593 k = 0.1791 0.3102-0.0000 ( 1127 PWs) bands (ev): -44.9879 -44.9879 -19.3825 -19.3825 -11.8680 -11.8680 -11.6336 -11.6336 4.6581 4.6581 10.4438 10.4438 11.9950 11.9950 12.8388 12.8388 15.4248 15.4248 17.7125 17.7125 17.9475 17.9475 21.2562 21.2562 22.9464 22.9464 k = 0.1741 0.3016-0.0000 ( 1127 PWs) bands (ev): -44.9892 -44.9892 -19.3783 -19.3783 -11.8584 -11.8584 -11.6259 -11.6259 4.5635 4.5635 10.5432 10.5432 12.1021 12.1021 12.8534 12.8534 15.3333 15.3333 17.8473 17.8473 18.0055 18.0055 21.0979 21.0979 22.8349 22.8349 k = 0.1692 0.2930-0.0000 ( 1127 PWs) bands (ev): -44.9905 -44.9905 -19.3740 -19.3740 -11.8487 -11.8487 -11.6179 -11.6179 4.4708 4.4708 10.6442 10.6442 12.2069 12.2069 12.8705 12.8705 15.2437 15.2437 17.9662 17.9662 18.0825 18.0825 20.9468 20.9468 22.7250 22.7250 k = 0.1642 0.2844-0.0000 ( 1127 PWs) bands (ev): -44.9918 -44.9918 -19.3697 -19.3697 -11.8391 -11.8391 -11.6096 -11.6096 4.3800 4.3800 10.7465 10.7465 12.3090 12.3090 12.8901 12.8901 15.1558 15.1558 18.0551 18.0551 18.1923 18.1923 20.8035 20.8035 22.6170 22.6170 k = 0.1592 0.2757-0.0000 ( 1125 PWs) bands (ev): -44.9932 -44.9932 -19.3652 -19.3652 -11.8296 -11.8296 -11.6009 -11.6009 4.2913 4.2913 10.8502 10.8502 12.4082 12.4082 12.9120 12.9120 15.0699 15.0699 18.1255 18.1255 18.3230 18.3230 20.6686 20.6686 22.5110 22.5110 k = 0.1542 0.2671-0.0000 ( 1125 PWs) bands (ev): -44.9946 -44.9946 -19.3609 -19.3609 -11.8203 -11.8203 -11.5920 -11.5920 4.2046 4.2046 10.9553 10.9553 12.5039 12.5039 12.9363 12.9363 14.9858 14.9858 18.1916 18.1916 18.4599 18.4599 20.5425 20.5425 22.4070 22.4070 k = 0.1493 0.2585-0.0000 ( 1125 PWs) bands (ev): -44.9959 -44.9959 -19.3565 -19.3565 -11.8113 -11.8113 -11.5827 -11.5827 4.1200 4.1200 11.0615 11.0615 12.5957 12.5957 12.9631 12.9631 14.9036 14.9036 18.2581 18.2581 18.5981 18.5981 20.4258 20.4258 22.3052 22.3052 k = 0.1443 0.2499-0.0000 ( 1125 PWs) bands (ev): -44.9973 -44.9973 -19.3521 -19.3521 -11.8025 -11.8025 -11.5731 -11.5731 4.0375 4.0375 11.1689 11.1689 12.6831 12.6831 12.9925 12.9925 14.8234 14.8234 18.3263 18.3263 18.7356 18.7356 20.3189 20.3189 22.2055 22.2055 k = 0.1393 0.2413-0.0000 ( 1125 PWs) bands (ev): -44.9986 -44.9986 -19.3477 -19.3477 -11.7941 -11.7941 -11.5630 -11.5630 3.9572 3.9572 11.2773 11.2773 12.7654 12.7654 13.0246 13.0246 14.7452 14.7452 18.3967 18.3967 18.8714 18.8714 20.2222 20.2222 22.1082 22.1082 k = 0.1343 0.2327-0.0000 ( 1125 PWs) bands (ev): -45.0000 -45.0000 -19.3433 -19.3433 -11.7861 -11.7861 -11.5526 -11.5526 3.8792 3.8792 11.3866 11.3866 12.8418 12.8418 13.0599 13.0599 14.6690 14.6690 18.4695 18.4695 19.0047 19.0047 20.1362 20.1362 22.0132 22.0132 k = 0.1294 0.2240-0.0000 ( 1129 PWs) bands (ev): -45.0014 -45.0014 -19.3391 -19.3391 -11.7785 -11.7785 -11.5419 -11.5419 3.8033 3.8033 11.4966 11.4966 12.9116 12.9116 13.0987 13.0987 14.5948 14.5948 18.5447 18.5447 19.1350 19.1350 20.0611 20.0611 21.9206 21.9206 k = 0.1244 0.2154-0.0000 ( 1129 PWs) bands (ev): -45.0027 -45.0027 -19.3348 -19.3348 -11.7714 -11.7714 -11.5308 -11.5308 3.7298 3.7298 11.6073 11.6073 12.9743 12.9743 13.1412 13.1412 14.5227 14.5227 18.6223 18.6223 19.2614 19.2614 19.9974 19.9974 21.8305 21.8305 k = 0.1194 0.2068-0.0000 ( 1133 PWs) bands (ev): -45.0040 -45.0040 -19.3307 -19.3307 -11.7648 -11.7648 -11.5194 -11.5194 3.6586 3.6586 11.7183 11.7183 13.0300 13.0300 13.1868 13.1868 14.4528 14.4528 18.7022 18.7022 19.3832 19.3832 19.9454 19.9454 21.7429 21.7429 k = 0.1144 0.1982-0.0000 ( 1129 PWs) bands (ev): -45.0053 -45.0053 -19.3265 -19.3265 -11.7585 -11.7585 -11.5077 -11.5077 3.5898 3.5898 11.8297 11.8297 13.0796 13.0796 13.2344 13.2344 14.3849 14.3849 18.7844 18.7844 19.4995 19.4995 19.9058 19.9058 21.6581 21.6581 k = 0.1095 0.1896-0.0000 ( 1129 PWs) bands (ev): -45.0065 -45.0065 -19.3224 -19.3224 -11.7527 -11.7527 -11.4958 -11.4958 3.5235 3.5235 11.9410 11.9410 13.1246 13.1246 13.2822 13.2822 14.3193 14.3193 18.8688 18.8688 19.6088 19.6088 19.8794 19.8794 21.5759 21.5759 k = 0.1045 0.1810-0.0000 ( 1137 PWs) bands (ev): -45.0078 -45.0078 -19.3186 -19.3186 -11.7475 -11.7475 -11.4840 -11.4840 3.4596 3.4596 12.0522 12.0522 13.1664 13.1664 13.3286 13.3286 14.2559 14.2559 18.9552 18.9552 19.7074 19.7074 19.8695 19.8695 21.4966 21.4966 k = 0.0995 0.1723-0.0000 ( 1137 PWs) bands (ev): -45.0090 -45.0090 -19.3148 -19.3148 -11.7425 -11.7425 -11.4720 -11.4720 3.3983 3.3983 12.1629 12.1629 13.2059 13.2059 13.3724 13.3724 14.1949 14.1949 19.0436 19.0436 19.7830 19.7830 19.8877 19.8877 21.4203 21.4203 k = 0.0945 0.1637-0.0000 ( 1137 PWs) bands (ev): -45.0102 -45.0102 -19.3110 -19.3110 -11.7380 -11.7380 -11.4600 -11.4600 3.3396 3.3396 12.2728 12.2728 13.2438 13.2438 13.4130 13.4130 14.1361 14.1361 19.1337 19.1337 19.8221 19.8221 19.9473 19.9473 21.3471 21.3471 k = 0.0896 0.1551-0.0000 ( 1137 PWs) bands (ev): -45.0113 -45.0113 -19.3074 -19.3074 -11.7338 -11.7338 -11.4481 -11.4481 3.2835 3.2835 12.3816 12.3816 13.2804 13.2804 13.4500 13.4500 14.0798 14.0798 19.2254 19.2254 19.8488 19.8488 20.0235 20.0235 21.2771 21.2771 k = 0.0846 0.1465-0.0000 ( 1141 PWs) bands (ev): -45.0124 -45.0124 -19.3041 -19.3041 -11.7301 -11.7301 -11.4364 -11.4364 3.2301 3.2301 12.4890 12.4890 13.3158 13.3158 13.4832 13.4832 14.0259 14.0259 19.3186 19.3186 19.8802 19.8802 20.0986 20.0986 21.2105 21.2105 k = 0.0796 0.1379-0.0000 ( 1141 PWs) bands (ev): -45.0134 -45.0134 -19.3007 -19.3007 -11.7266 -11.7266 -11.4249 -11.4249 3.1795 3.1795 12.5946 12.5946 13.3501 13.3501 13.5126 13.5126 13.9746 13.9746 19.4130 19.4130 19.9202 19.9202 20.1684 20.1684 21.1475 21.1475 k = 0.0746 0.1293-0.0000 ( 1133 PWs) bands (ev): -45.0144 -45.0144 -19.2974 -19.2974 -11.7233 -11.7233 -11.4135 -11.4135 3.1316 3.1316 12.6979 12.6979 13.3833 13.3833 13.5384 13.5384 13.9260 13.9260 19.5086 19.5086 19.9696 19.9696 20.2316 20.2316 21.0883 21.0883 k = 0.0697 0.1206-0.0000 ( 1135 PWs) bands (ev): -45.0154 -45.0154 -19.2944 -19.2944 -11.7205 -11.7205 -11.4027 -11.4027 3.0866 3.0866 12.7985 12.7985 13.4151 13.4151 13.5607 13.5607 13.8800 13.8800 19.6051 19.6051 20.0281 20.0281 20.2879 20.2879 21.0332 21.0332 k = 0.0647 0.1120-0.0000 ( 1139 PWs) bands (ev): -45.0163 -45.0163 -19.2917 -19.2917 -11.7180 -11.7180 -11.3924 -11.3924 3.0444 3.0444 12.8959 12.8959 13.4455 13.4455 13.5800 13.5800 13.8369 13.8369 19.7025 19.7025 20.0954 20.0954 20.3373 20.3373 20.9825 20.9825 k = 0.0597 0.1034-0.0000 ( 1141 PWs) bands (ev): -45.0171 -45.0171 -19.2891 -19.2891 -11.7157 -11.7157 -11.3825 -11.3825 3.0052 3.0052 12.9894 12.9894 13.4743 13.4743 13.5964 13.5964 13.7966 13.7966 19.8007 19.8007 20.1706 20.1706 20.3799 20.3799 20.9367 20.9367 k = 0.0547 0.0948-0.0000 ( 1141 PWs) bands (ev): -45.0179 -45.0179 -19.2866 -19.2866 -11.7137 -11.7137 -11.3732 -11.3732 2.9689 2.9689 13.0786 13.0786 13.5013 13.5013 13.6104 13.6104 13.7594 13.7594 19.8996 19.8996 20.2528 20.2528 20.4160 20.4160 20.8963 20.8963 k = 0.0498 0.0862-0.0000 ( 1141 PWs) bands (ev): -45.0186 -45.0186 -19.2843 -19.2843 -11.7118 -11.7118 -11.3644 -11.3644 2.9356 2.9356 13.1628 13.1628 13.5262 13.5262 13.6223 13.6223 13.7254 13.7254 19.9988 19.9988 20.3404 20.3404 20.4467 20.4467 20.8620 20.8620 k = 0.0448 0.0776-0.0000 ( 1141 PWs) bands (ev): -45.0193 -45.0193 -19.2823 -19.2823 -11.7102 -11.7102 -11.3564 -11.3564 2.9054 2.9054 13.2412 13.2412 13.5487 13.5487 13.6324 13.6324 13.6949 13.6949 20.0979 20.0979 20.4266 20.4266 20.4777 20.4777 20.8349 20.8349 k = 0.0398 0.0689-0.0000 ( 1137 PWs) bands (ev): -45.0199 -45.0199 -19.2803 -19.2803 -11.7087 -11.7087 -11.3489 -11.3489 2.8783 2.8783 13.3132 13.3132 13.5681 13.5681 13.6413 13.6413 13.6684 13.6684 20.1959 20.1959 20.4724 20.4724 20.5478 20.5478 20.8160 20.8160 k = 0.0348 0.0603-0.0000 ( 1137 PWs) bands (ev): -45.0204 -45.0204 -19.2786 -19.2786 -11.7075 -11.7075 -11.3423 -11.3423 2.8543 2.8543 13.3778 13.3778 13.5828 13.5828 13.6477 13.6477 13.6493 13.6493 20.2907 20.2907 20.4879 20.4879 20.6466 20.6466 20.8073 20.8073 k = 0.0299 0.0517-0.0000 ( 1141 PWs) bands (ev): -45.0209 -45.0209 -19.2773 -19.2773 -11.7065 -11.7065 -11.3366 -11.3366 2.8334 2.8334 13.4343 13.4343 13.5884 13.5884 13.6370 13.6370 13.6566 13.6566 20.3777 20.3777 20.4979 20.4979 20.7490 20.7490 20.8132 20.8132 k = 0.0249 0.0431-0.0000 ( 1145 PWs) bands (ev): -45.0213 -45.0213 -19.2761 -19.2761 -11.7057 -11.7057 -11.3318 -11.3318 2.8157 2.8157 13.4817 13.4817 13.5825 13.5825 13.6394 13.6394 13.6636 13.6636 20.4435 20.4435 20.5146 20.5146 20.8191 20.8191 20.8704 20.8704 k = 0.0199 0.0345-0.0000 ( 1143 PWs) bands (ev): -45.0216 -45.0216 -19.2751 -19.2751 -11.7049 -11.7049 -11.3276 -11.3276 2.8012 2.8012 13.5192 13.5192 13.5719 13.5719 13.6483 13.6483 13.6700 13.6700 20.4684 20.4684 20.5528 20.5528 20.8627 20.8627 20.9765 20.9765 k = 0.0149 0.0259-0.0000 ( 1143 PWs) bands (ev): -45.0218 -45.0218 -19.2743 -19.2743 -11.7044 -11.7044 -11.3244 -11.3244 2.7899 2.7899 13.5461 13.5461 13.5623 13.5623 13.6586 13.6586 13.6756 13.6756 20.4722 20.4722 20.5901 20.5901 20.9262 20.9262 21.0861 21.0861 k = 0.0100 0.0172-0.0000 ( 1143 PWs) bands (ev): -45.0220 -45.0220 -19.2737 -19.2737 -11.7040 -11.7040 -11.3221 -11.3221 2.7818 2.7818 13.5531 13.5531 13.5655 13.5655 13.6681 13.6681 13.6799 13.6799 20.4715 20.4715 20.6137 20.6137 21.0077 21.0078 21.1918 21.1918 k = 0.0050 0.0086-0.0000 ( 1143 PWs) bands (ev): -45.0221 -45.0221 -19.2734 -19.2734 -11.7038 -11.7038 -11.3207 -11.3207 2.7769 2.7769 13.5489 13.5489 13.5747 13.5747 13.6748 13.6748 13.6827 13.6827 20.4703 20.4703 20.6258 20.6258 21.0980 21.0980 21.2679 21.2679 k = 0.0000 0.0000 0.0000 ( 1143 PWs) bands (ev): -45.0222 -45.0222 -19.2733 -19.2733 -11.7037 -11.7037 -11.3203 -11.3203 2.7753 2.7753 13.5474 13.5474 13.5777 13.5777 13.6772 13.6772 13.6836 13.6836 20.4698 20.4698 20.6294 20.6294 21.1612 21.1612 21.2641 21.2641 k = 0.0000 0.0000 0.0000 ( 1143 PWs) bands (ev): -45.0222 -45.0222 -19.2733 -19.2733 -11.7037 -11.7037 -11.3203 -11.3203 2.7753 2.7753 13.5474 13.5474 13.5777 13.5777 13.6772 13.6772 13.6836 13.6836 20.4698 20.4698 20.6294 20.6294 21.1612 21.1612 21.2641 21.2641 k = 0.0000 0.0000 0.0098 ( 1143 PWs) bands (ev): -45.0222 -45.0222 -19.2733 -19.2733 -11.7040 -11.7040 -11.3202 -11.3202 2.7772 2.7772 13.4635 13.4635 13.5789 13.5789 13.6784 13.6784 13.7668 13.7668 20.4373 20.4373 20.6039 20.6039 21.1420 21.1420 21.2832 21.2833 k = 0.0000 0.0000 0.0196 ( 1143 PWs) bands (ev): -45.0221 -45.0221 -19.2735 -19.2735 -11.7048 -11.7048 -11.3201 -11.3201 2.7829 2.7829 13.3347 13.3347 13.5824 13.5824 13.6818 13.6818 13.8936 13.8936 20.3529 20.3529 20.5332 20.5332 21.1025 21.1025 21.2835 21.2835 k = 0.0000 0.0000 0.0294 ( 1143 PWs) bands (ev): -45.0221 -45.0221 -19.2737 -19.2737 -11.7063 -11.7063 -11.3200 -11.3200 2.7924 2.7924 13.2003 13.2003 13.5882 13.5882 13.6875 13.6875 14.0247 14.0247 20.2391 20.2391 20.4306 20.4306 21.0599 21.0599 21.2839 21.2839 k = 0.0000 0.0000 0.0392 ( 1143 PWs) bands (ev): -45.0220 -45.0220 -19.2741 -19.2741 -11.7083 -11.7083 -11.3198 -11.3198 2.8057 2.8057 13.0639 13.0639 13.5963 13.5963 13.6954 13.6954 14.1566 14.1566 20.1110 20.1110 20.3091 20.3091 21.0161 21.0161 21.2845 21.2845 k = 0.0000 0.0000 0.0490 ( 1143 PWs) bands (ev): -45.0220 -45.0220 -19.2745 -19.2745 -11.7109 -11.7109 -11.3195 -11.3195 2.8228 2.8228 12.9262 12.9262 13.6067 13.6067 13.7056 13.7056 14.2885 14.2885 19.9764 19.9764 20.1775 20.1775 20.9693 20.9693 21.2853 21.2940 k = 0.0000 0.0000 0.0588 ( 1143 PWs) bands (ev): -45.0219 -45.0219 -19.2751 -19.2751 -11.7140 -11.7140 -11.3191 -11.3191 2.8436 2.8436 12.7877 12.7877 13.6194 13.6194 13.7181 13.7181 14.4202 14.4202 19.8393 19.8393 20.0410 20.0410 20.9178 20.9178 21.2465 21.2465 k = 0.0000 0.0000 0.0687 ( 1143 PWs) bands (ev): -45.0218 -45.0218 -19.2758 -19.2758 -11.7176 -11.7176 -11.3187 -11.3187 2.8681 2.8681 12.6483 12.6483 13.6344 13.6344 13.7328 13.7328 14.5516 14.5516 19.7019 19.7019 19.9025 19.9025 20.8607 20.8607 21.1914 21.1914 k = 0.0000 0.0000 0.0785 ( 1143 PWs) bands (ev): -45.0216 -45.0216 -19.2765 -19.2765 -11.7217 -11.7217 -11.3183 -11.3183 2.8962 2.8962 12.5083 12.5083 13.6517 13.6517 13.7497 13.7497 14.6828 14.6828 19.5655 19.5655 19.7640 19.7640 20.7977 20.7977 21.1289 21.1289 k = 0.0000 0.0000 0.0883 ( 1149 PWs) bands (ev): -45.0215 -45.0215 -19.2775 -19.2775 -11.7265 -11.7265 -11.3178 -11.3178 2.9279 2.9279 12.3677 12.3677 13.6712 13.6712 13.7688 13.7688 14.8136 14.8136 19.4307 19.4307 19.6265 19.6265 20.7287 20.7287 21.0596 21.0596 k = 0.0000 0.0000 0.0981 ( 1155 PWs) bands (ev): -45.0214 -45.0214 -19.2786 -19.2786 -11.7317 -11.7317 -11.3173 -11.3173 2.9632 2.9632 12.2266 12.2266 13.6930 13.6930 13.7902 13.7902 14.9442 14.9442 19.2982 19.2982 19.4906 19.4906 20.6540 20.6540 20.9839 20.9839 k = 0.0000 0.0000 0.1079 ( 1155 PWs) bands (ev): -45.0212 -45.0212 -19.2796 -19.2796 -11.7372 -11.7372 -11.3167 -11.3167 3.0019 3.0019 12.0851 12.0851 13.7171 13.7171 13.8137 13.8137 15.0747 15.0747 19.1682 19.1682 19.3570 19.3570 20.5738 20.5738 20.9024 20.9024 k = 0.0000 0.0000 0.1177 ( 1155 PWs) bands (ev): -45.0210 -45.0210 -19.2807 -19.2807 -11.7431 -11.7431 -11.3160 -11.3160 3.0441 3.0441 11.9432 11.9432 13.7433 13.7433 13.8394 13.8394 15.2050 15.2050 19.0410 19.0410 19.2260 19.2260 20.4886 20.4886 20.8155 20.8155 k = 0.0000 0.0000 0.1275 ( 1143 PWs) bands (ev): -45.0208 -45.0208 -19.2815 -19.2815 -11.7491 -11.7491 -11.3153 -11.3153 3.0895 3.0895 11.8010 11.8010 13.7718 13.7718 13.8672 13.8672 15.3353 15.3353 18.9168 18.9168 19.0977 19.0977 20.3987 20.3987 20.7237 20.7237 k = 0.0000 0.0000 0.1373 ( 1137 PWs) bands (ev): -45.0206 -45.0206 -19.2826 -19.2826 -11.7556 -11.7556 -11.3145 -11.3145 3.1383 3.1383 11.6587 11.6587 13.8025 13.8025 13.8971 13.8971 15.4654 15.4654 18.7958 18.7958 18.9724 18.9724 20.3045 20.3045 20.6276 20.6276 k = 0.0000 0.0000 0.1471 ( 1137 PWs) bands (ev): -45.0204 -45.0204 -19.2839 -19.2839 -11.7625 -11.7625 -11.3137 -11.3137 3.1901 3.1901 11.5162 11.5162 13.8353 13.8353 13.9291 13.9291 15.5956 15.5956 18.6781 18.6781 18.8502 18.8502 20.2064 20.2064 20.5275 20.5275 k = 0.0000 0.0000 0.1569 ( 1137 PWs) bands (ev): -45.0202 -45.0202 -19.2853 -19.2853 -11.7697 -11.7697 -11.3129 -11.3129 3.2450 3.2450 11.3738 11.3738 13.8702 13.8702 13.9632 13.9632 15.7257 15.7257 18.5638 18.5638 18.7313 18.7313 20.1049 20.1049 20.4240 20.4240 k = 0.0000 0.0000 0.1667 ( 1137 PWs) bands (ev): -45.0200 -45.0200 -19.2867 -19.2867 -11.7772 -11.7772 -11.3120 -11.3120 3.3029 3.3029 11.2314 11.2314 13.9072 13.9072 13.9992 13.9992 15.8557 15.8557 18.4530 18.4530 18.6157 18.6157 20.0004 20.0004 20.3175 20.3175 k = 0.0000 0.0000 0.1765 ( 1137 PWs) bands (ev): -45.0197 -45.0197 -19.2881 -19.2881 -11.7848 -11.7848 -11.3112 -11.3112 3.3636 3.3636 11.0893 11.0893 13.9463 13.9463 14.0372 14.0372 15.9856 15.9856 18.3458 18.3458 18.5036 18.5036 19.8933 19.8933 20.2085 20.2085 k = 0.0000 0.0000 0.1863 ( 1137 PWs) bands (ev): -45.0195 -45.0195 -19.2896 -19.2896 -11.7926 -11.7926 -11.3103 -11.3103 3.4270 3.4270 10.9475 10.9475 13.9873 13.9873 14.0771 14.0771 16.1154 16.1154 18.2424 18.2424 18.3949 18.3949 19.7840 19.7840 20.0974 20.0974 k = 0.0000 0.0000 0.1962 ( 1143 PWs) bands (ev): -45.0193 -45.0193 -19.2912 -19.2912 -11.8007 -11.8007 -11.3094 -11.3094 3.4929 3.4929 10.8062 10.8062 14.0304 14.0304 14.1188 14.1188 16.2449 16.2449 18.1429 18.1429 18.2897 18.2897 19.6728 19.6728 19.9846 19.9846 k = 0.0000 0.0000 0.2060 ( 1143 PWs) bands (ev): -45.0190 -45.0190 -19.2928 -19.2928 -11.8087 -11.8087 -11.3084 -11.3084 3.5613 3.5613 10.6654 10.6654 14.0753 14.0753 14.1624 14.1624 16.3739 16.3739 18.0474 18.0474 18.1882 18.1882 19.5602 19.5602 19.8705 19.8705 k = 0.0000 0.0000 0.2158 ( 1143 PWs) bands (ev): -45.0188 -45.0188 -19.2943 -19.2943 -11.8168 -11.8168 -11.3075 -11.3075 3.6320 3.6320 10.5254 10.5254 14.1221 14.1221 14.2076 14.2076 16.5022 16.5022 17.9563 17.9563 18.0903 18.0903 19.4465 19.4465 19.7555 19.7555 k = 0.0000 0.0000 0.2256 ( 1143 PWs) bands (ev): -45.0186 -45.0186 -19.2959 -19.2959 -11.8249 -11.8249 -11.3066 -11.3066 3.7049 3.7049 10.3863 10.3863 14.1707 14.1707 14.2545 14.2545 16.6293 16.6293 17.8699 17.8699 17.9960 17.9960 19.3320 19.3320 19.6399 19.6399 k = 0.0000 0.0000 0.2354 ( 1142 PWs) bands (ev): -45.0183 -45.0183 -19.2974 -19.2974 -11.8329 -11.8329 -11.3056 -11.3056 3.7797 3.7797 10.2482 10.2482 14.2210 14.2210 14.3029 14.3029 16.7543 16.7543 17.7889 17.7889 17.9055 17.9055 19.2171 19.2171 19.5241 19.5241 k = 0.0000 0.0000 0.2452 ( 1136 PWs) bands (ev): -45.0180 -45.0180 -19.2988 -19.2988 -11.8408 -11.8408 -11.3046 -11.3046 3.8562 3.8562 10.1113 10.1113 14.2729 14.2729 14.3528 14.3528 16.8761 16.8761 17.7144 17.7144 17.8187 17.8187 19.1021 19.1021 19.4084 19.4084 k = 0.0000 0.0000 0.2550 ( 1136 PWs) bands (ev): -45.0178 -45.0178 -19.3004 -19.3004 -11.8487 -11.8487 -11.3036 -11.3036 3.9343 3.9343 9.9758 9.9758 14.3263 14.3263 14.4040 14.4040 16.9919 16.9919 17.6490 17.6490 17.7357 17.7357 18.9874 18.9874 19.2932 19.2932 k = 0.0000 0.0000 0.2648 ( 1136 PWs) bands (ev): -45.0176 -45.0176 -19.3019 -19.3019 -11.8564 -11.8564 -11.3027 -11.3027 4.0137 4.0137 9.8419 9.8419 14.3811 14.3811 14.4563 14.4563 17.0962 17.0962 17.5981 17.5981 17.6564 17.6564 18.8733 18.8733 19.1789 19.1789 k = 0.0000 0.0000 0.2746 ( 1136 PWs) bands (ev): -45.0173 -45.0173 -19.3034 -19.3034 -11.8640 -11.8640 -11.3018 -11.3018 4.0942 4.0942 9.7099 9.7099 14.4371 14.4371 14.5097 14.5097 17.1767 17.1767 17.5736 17.5736 17.5809 17.5809 18.7601 18.7601 19.0657 19.0657 k = 0.0000 0.0000 0.2844 ( 1136 PWs) bands (ev): -45.0171 -45.0171 -19.3048 -19.3048 -11.8713 -11.8713 -11.3010 -11.3010 4.1755 4.1755 9.5800 9.5800 14.4943 14.4943 14.5639 14.5639 17.2153 17.2153 17.5093 17.5093 17.5932 17.5932 18.6481 18.6481 18.9540 18.9540 k = 0.0000 0.0000 0.2942 ( 1136 PWs) bands (ev): -45.0169 -45.0169 -19.3063 -19.3063 -11.8784 -11.8784 -11.3001 -11.3001 4.2574 4.2574 9.4524 9.4524 14.5523 14.5523 14.6188 14.6188 17.2100 17.2100 17.4414 17.4414 17.6588 17.6588 18.5378 18.5378 18.8442 18.8442 k = 0.0000 0.0000 0.3040 ( 1136 PWs) bands (ev): -45.0167 -45.0167 -19.3076 -19.3076 -11.8853 -11.8853 -11.2993 -11.2993 4.3393 4.3393 9.3276 9.3276 14.6111 14.6111 14.6741 14.6741 17.1796 17.1796 17.3774 17.3774 17.7510 17.7510 18.4294 18.4294 18.7367 18.7367 k = 0.0000 0.0000 0.3138 ( 1124 PWs) bands (ev): -45.0164 -45.0164 -19.3087 -19.3087 -11.8917 -11.8917 -11.2982 -11.2982 4.4211 4.4211 9.2059 9.2059 14.6703 14.6703 14.7296 14.7296 17.1395 17.1395 17.3172 17.3172 17.8540 17.8540 18.3235 18.3235 18.6319 18.6319 k = 0.0000 0.0000 0.3237 ( 1124 PWs) bands (ev): -45.0162 -45.0162 -19.3099 -19.3099 -11.8979 -11.8979 -11.2974 -11.2974 4.5022 4.5022 9.0877 9.0877 14.7297 14.7297 14.7848 14.7848 17.0966 17.0966 17.2609 17.2609 17.9603 17.9603 18.2204 18.2204 18.5301 18.5301 k = 0.0000 0.0000 0.3335 ( 1136 PWs) bands (ev): -45.0161 -45.0161 -19.3114 -19.3114 -11.9040 -11.9040 -11.2969 -11.2969 4.5821 4.5821 8.9734 8.9734 14.7889 14.7889 14.8396 14.8396 17.0541 17.0541 17.2083 17.2083 18.0661 18.0661 18.1206 18.1206 18.4320 18.4320 k = 0.0000 0.0000 0.3433 ( 1136 PWs) bands (ev): -45.0159 -45.0159 -19.3125 -19.3125 -11.9095 -11.9095 -11.2962 -11.2962 4.6604 4.6604 8.8637 8.8637 14.8475 14.8475 14.8934 14.8934 17.0135 17.0135 17.1596 17.1596 18.0246 18.0246 18.1694 18.1694 18.3378 18.3378 k = 0.0000 0.0000 0.3531 ( 1136 PWs) bands (ev): -45.0157 -45.0157 -19.3135 -19.3135 -11.9146 -11.9146 -11.2956 -11.2956 4.7363 4.7363 8.7591 8.7591 14.9050 14.9050 14.9459 14.9459 16.9755 16.9755 17.1147 17.1147 17.9331 17.9331 18.2483 18.2483 18.2685 18.2685 k = 0.0000 0.0000 0.3629 ( 1136 PWs) bands (ev): -45.0156 -45.0156 -19.3145 -19.3145 -11.9193 -11.9193 -11.2951 -11.2951 4.8091 4.8091 8.6603 8.6603 14.9610 14.9610 14.9964 14.9964 16.9406 16.9406 17.0735 17.0735 17.8466 17.8466 18.1641 18.1641 18.3624 18.3624 k = 0.0000 0.0000 0.3727 ( 1142 PWs) bands (ev): -45.0155 -45.0155 -19.3155 -19.3155 -11.9235 -11.9235 -11.2948 -11.2948 4.8783 4.8783 8.5681 8.5681 15.0146 15.0146 15.0444 15.0444 16.9090 16.9090 17.0362 17.0362 17.7659 17.7659 18.0856 18.0856 18.4499 18.4499 k = 0.0000 0.0000 0.3825 ( 1142 PWs) bands (ev): -45.0153 -45.0153 -19.3162 -19.3162 -11.9273 -11.9273 -11.2943 -11.2943 4.9426 4.9426 8.4834 8.4834 15.0652 15.0652 15.0893 15.0893 16.8809 16.8809 17.0027 17.0027 17.6918 17.6918 18.0138 18.0138 18.5301 18.5301 k = 0.0000 0.0000 0.3923 ( 1142 PWs) bands (ev): -45.0152 -45.0152 -19.3169 -19.3169 -11.9306 -11.9306 -11.2939 -11.2939 5.0013 5.0013 8.4071 8.4071 15.1120 15.1120 15.1303 15.1303 16.8564 16.8564 16.9731 16.9731 17.6251 17.6251 17.9493 17.9493 18.6019 18.6019 k = 0.0000 0.0000 0.4021 ( 1142 PWs) bands (ev): -45.0151 -45.0151 -19.3175 -19.3175 -11.9335 -11.9335 -11.2936 -11.2936 5.0534 5.0534 8.3401 8.3401 15.1540 15.1540 15.1668 15.1668 16.8355 16.8355 16.9476 16.9476 17.5668 17.5668 17.8930 17.8930 18.6644 18.6644 k = 0.0000 0.0000 0.4119 ( 1142 PWs) bands (ev): -45.0151 -45.0151 -19.3180 -19.3180 -11.9358 -11.9358 -11.2933 -11.2933 5.0978 5.0978 8.2835 8.2835 15.1902 15.1902 15.1979 15.1979 16.8184 16.8184 16.9261 16.9261 17.5176 17.5176 17.8455 17.8455 18.7169 18.7169 k = 0.0000 0.0000 0.4217 ( 1142 PWs) bands (ev): -45.0150 -45.0150 -19.3184 -19.3184 -11.9376 -11.9376 -11.2931 -11.2931 5.1335 5.1335 8.2383 8.2383 15.2197 15.2197 15.2230 15.2230 16.8051 16.8051 16.9091 16.9091 17.4784 17.4784 17.8076 17.8076 18.7586 18.7586 k = 0.0000 0.0000 0.4315 ( 1142 PWs) bands (ev): -45.0150 -45.0150 -19.3187 -19.3187 -11.9389 -11.9389 -11.2929 -11.2929 5.1598 5.1598 8.2053 8.2053 15.2414 15.2414 15.2416 15.2416 16.7956 16.7956 16.8966 16.8966 17.4498 17.4498 17.7801 17.7801 18.7889 18.7889 k = 0.0000 0.0000 0.4413 ( 1142 PWs) bands (ev): -45.0149 -45.0149 -19.3188 -19.3188 -11.9397 -11.9397 -11.2928 -11.2928 5.1758 5.1758 8.1852 8.1852 15.2527 15.2527 15.2550 15.2550 16.7898 16.7898 16.8890 16.8890 17.4325 17.4325 17.7633 17.7633 18.8072 18.8072 k = 0.0000 0.0000 0.4511 ( 1142 PWs) bands (ev): -45.0149 -45.0149 -19.3189 -19.3189 -11.9400 -11.9400 -11.2928 -11.2928 5.1812 5.1812 8.1784 8.1784 15.2565 15.2565 15.2595 15.2595 16.7879 16.7879 16.8865 16.8865 17.4266 17.4266 17.7577 17.7577 18.8133 18.8133 k = 0.0000 0.0000 0.4511 ( 1142 PWs) bands (ev): -45.0149 -45.0149 -19.3189 -19.3189 -11.9400 -11.9400 -11.2928 -11.2928 5.1812 5.1812 8.1784 8.1784 15.2565 15.2565 15.2595 15.2595 16.7879 16.7879 16.8865 16.8865 17.4266 17.4266 17.7577 17.7577 18.8133 18.8133 k = 0.0086 0.0050 0.4511 ( 1142 PWs) bands (ev): -45.0149 -45.0149 -19.3190 -19.3190 -11.9400 -11.9400 -11.2932 -11.2932 5.1816 5.1816 8.1808 8.1808 15.2421 15.2421 15.2459 15.2459 16.8022 16.8022 16.8987 16.8987 17.4249 17.4249 17.7543 17.7543 18.8147 18.8147 k = 0.0172 0.0100 0.4511 ( 1142 PWs) bands (ev): -45.0148 -45.0148 -19.3193 -19.3193 -11.9401 -11.9401 -11.2945 -11.2945 5.1827 5.1827 8.1880 8.1880 15.1972 15.1972 15.2093 15.2093 16.8434 16.8434 16.9335 16.9335 17.4191 17.4191 17.7455 17.7455 18.8186 18.8186 k = 0.0259 0.0149 0.4511 ( 1146 PWs) bands (ev): -45.0146 -45.0146 -19.3199 -19.3199 -11.9404 -11.9404 -11.2968 -11.2968 5.1844 5.1844 8.2000 8.2000 15.1260 15.1260 15.1529 15.1529 16.9074 16.9074 16.9864 16.9864 17.4085 17.4085 17.7345 17.7345 18.8253 18.8253 k = 0.0345 0.0199 0.4511 ( 1142 PWs) bands (ev): -45.0144 -45.0144 -19.3205 -19.3205 -11.9406 -11.9406 -11.2998 -11.2998 5.1870 5.1870 8.2168 8.2168 15.0341 15.0341 15.0804 15.0804 16.9884 16.9884 17.0496 17.0496 17.3939 17.3939 17.7261 17.7261 18.8345 18.8345 k = 0.0431 0.0249 0.4511 ( 1144 PWs) bands (ev): -45.0140 -45.0140 -19.3215 -19.3215 -11.9410 -11.9410 -11.3038 -11.3038 5.1902 5.1902 8.2383 8.2383 14.9261 14.9261 14.9958 14.9958 17.0768 17.0768 17.1118 17.1118 17.3846 17.3846 17.7249 17.7249 18.8465 18.8465 k = 0.0517 0.0299 0.4511 ( 1144 PWs) bands (ev): -45.0137 -45.0137 -19.3226 -19.3226 -11.9414 -11.9414 -11.3085 -11.3085 5.1942 5.1942 8.2644 8.2644 14.8057 14.8057 14.9025 14.9025 17.1183 17.1183 17.1934 17.1934 17.4061 17.4061 17.7337 17.7337 18.8612 18.8612 k = 0.0603 0.0348 0.4511 ( 1144 PWs) bands (ev): -45.0132 -45.0132 -19.3239 -19.3239 -11.9420 -11.9420 -11.3141 -11.3141 5.1989 5.1989 8.2953 8.2953 14.6761 14.6761 14.8031 14.8031 17.0894 17.0894 17.2972 17.2972 17.4743 17.4743 17.7538 17.7538 18.8785 18.8785 k = 0.0690 0.0398 0.4511 ( 1148 PWs) bands (ev): -45.0127 -45.0127 -19.3255 -19.3255 -11.9427 -11.9427 -11.3205 -11.3205 5.2043 5.2043 8.3307 8.3307 14.5395 14.5395 14.6996 14.6996 17.0232 17.0232 17.4034 17.4034 17.5713 17.5713 17.7867 17.7867 18.8986 18.8986 k = 0.0776 0.0448 0.4511 ( 1152 PWs) bands (ev): -45.0121 -45.0121 -19.3273 -19.3273 -11.9435 -11.9435 -11.3277 -11.3277 5.2105 5.2105 8.3706 8.3706 14.3975 14.3975 14.5936 14.5936 16.9375 16.9375 17.5084 17.5084 17.6765 17.6765 17.8375 17.8375 18.9214 18.9214 k = 0.0862 0.0498 0.4511 ( 1148 PWs) bands (ev): -45.0114 -45.0114 -19.3291 -19.3291 -11.9442 -11.9442 -11.3354 -11.3354 5.2174 5.2174 8.4149 8.4149 14.2515 14.2515 14.4860 14.4860 16.8402 16.8402 17.6103 17.6103 17.7709 17.7709 17.9181 17.9181 18.9469 18.9469 k = 0.0948 0.0547 0.4511 ( 1140 PWs) bands (ev): -45.0107 -45.0107 -19.3309 -19.3309 -11.9450 -11.9450 -11.3438 -11.3438 5.2251 5.2251 8.4636 8.4636 14.1024 14.1024 14.3779 14.3779 16.7354 16.7354 17.7073 17.7073 17.8475 17.8475 18.0325 18.0325 18.9753 18.9753 k = 0.1034 0.0597 0.4511 ( 1140 PWs) bands (ev): -45.0099 -45.0099 -19.3331 -19.3331 -11.9461 -11.9461 -11.3529 -11.3529 5.2336 5.2336 8.5166 8.5166 13.9510 13.9510 14.2697 14.2697 16.6255 16.6255 17.7973 17.7973 17.9192 17.9192 18.1671 18.1671 19.0067 19.0067 k = 0.1121 0.0647 0.4511 ( 1136 PWs) bands (ev): -45.0091 -45.0091 -19.3354 -19.3354 -11.9472 -11.9472 -11.3625 -11.3625 5.2429 5.2429 8.5737 8.5737 13.7980 13.7980 14.1619 14.1619 16.5122 16.5122 17.8792 17.8792 17.9956 17.9956 18.3113 18.3113 19.0411 19.0411 k = 0.1207 0.0697 0.4511 ( 1136 PWs) bands (ev): -45.0082 -45.0082 -19.3380 -19.3380 -11.9485 -11.9485 -11.3728 -11.3728 5.2530 5.2530 8.6348 8.6348 13.6439 13.6439 14.0550 14.0550 16.3967 16.3967 17.9546 17.9546 18.0781 18.0781 18.4606 18.4606 19.0790 19.0790 k = 0.1293 0.0747 0.4511 ( 1132 PWs) bands (ev): -45.0073 -45.0073 -19.3406 -19.3406 -11.9498 -11.9498 -11.3835 -11.3835 5.2638 5.2638 8.6999 8.6999 13.4890 13.4890 13.9493 13.9493 16.2800 16.2800 18.0269 18.0269 18.1641 18.1641 18.6123 18.6123 19.1211 19.1211 k = 0.1379 0.0796 0.4511 ( 1124 PWs) bands (ev): -45.0062 -45.0062 -19.3433 -19.3433 -11.9514 -11.9514 -11.3945 -11.3945 5.2755 5.2755 8.7687 8.7687 13.3339 13.3339 13.8449 13.8449 16.1627 16.1627 18.0992 18.0992 18.2512 18.2512 18.7637 18.7637 19.1688 19.1688 k = 0.1466 0.0846 0.4511 ( 1128 PWs) bands (ev): -45.0052 -45.0052 -19.3464 -19.3464 -11.9532 -11.9532 -11.4060 -11.4060 5.2880 5.2880 8.8412 8.8412 13.1788 13.1788 13.7420 13.7420 16.0455 16.0455 18.1731 18.1731 18.3379 18.3379 18.9109 18.9109 19.2253 19.2253 k = 0.1552 0.0896 0.4511 ( 1128 PWs) bands (ev): -45.0041 -45.0041 -19.3495 -19.3495 -11.9551 -11.9551 -11.4179 -11.4179 5.3014 5.3014 8.9171 8.9171 13.0240 13.0240 13.6408 13.6408 15.9290 15.9290 18.2492 18.2492 18.4235 18.4235 19.0461 19.0461 19.2980 19.2980 k = 0.1638 0.0946 0.4511 ( 1128 PWs) bands (ev): -45.0030 -45.0030 -19.3528 -19.3528 -11.9572 -11.9572 -11.4301 -11.4301 5.3155 5.3155 8.9964 8.9964 12.8697 12.8697 13.5415 13.5415 15.8135 15.8135 18.3280 18.3280 18.5078 18.5078 19.1574 19.1574 19.3980 19.3980 k = 0.1724 0.0995 0.4511 ( 1128 PWs) bands (ev): -45.0019 -45.0019 -19.3562 -19.3562 -11.9595 -11.9595 -11.4425 -11.4425 5.3305 5.3305 9.0789 9.0789 12.7162 12.7162 13.4441 13.4441 15.6993 15.6993 18.4093 18.4093 18.5910 18.5910 19.2421 19.2421 19.5280 19.5280 k = 0.1810 0.1045 0.4511 ( 1132 PWs) bands (ev): -45.0007 -45.0007 -19.3597 -19.3597 -11.9620 -11.9620 -11.4550 -11.4550 5.3464 5.3464 9.1643 9.1643 12.5637 12.5637 13.3487 13.3487 15.5869 15.5869 18.4927 18.4927 18.6735 18.6735 19.3103 19.3103 19.6771 19.6771 k = 0.1897 0.1095 0.4511 ( 1132 PWs) bands (ev): -44.9995 -44.9995 -19.3633 -19.3633 -11.9647 -11.9647 -11.4676 -11.4676 5.3631 5.3631 9.2525 9.2525 12.4123 12.4123 13.2554 13.2554 15.4765 15.4765 18.5779 18.5779 18.7558 18.7558 19.3716 19.3716 19.8357 19.8357 k = 0.1983 0.1145 0.4511 ( 1132 PWs) bands (ev): -44.9982 -44.9982 -19.3670 -19.3670 -11.9676 -11.9676 -11.4803 -11.4803 5.3807 5.3807 9.3433 9.3433 12.2623 12.2623 13.1643 13.1643 15.3683 15.3683 18.6638 18.6638 18.8390 18.8390 19.4301 19.4301 19.9990 19.9990 k = 0.2069 0.1195 0.4511 ( 1132 PWs) bands (ev): -44.9969 -44.9969 -19.3707 -19.3707 -11.9708 -11.9708 -11.4929 -11.4929 5.3991 5.3991 9.4364 9.4364 12.1138 12.1138 13.0754 13.0754 15.2626 15.2626 18.7492 18.7492 18.9245 18.9245 19.4877 19.4877 20.1648 20.1648 k = 0.2155 0.1244 0.4511 ( 1132 PWs) bands (ev): -44.9956 -44.9956 -19.3745 -19.3745 -11.9741 -11.9741 -11.5054 -11.5054 5.4184 5.4184 9.5316 9.5316 11.9670 11.9670 12.9887 12.9887 15.1595 15.1595 18.8329 18.8329 19.0135 19.0135 19.5454 19.5454 20.3320 20.3320 k = 0.2241 0.1294 0.4511 ( 1136 PWs) bands (ev): -44.9943 -44.9943 -19.3784 -19.3784 -11.9778 -11.9778 -11.5178 -11.5178 5.4386 5.4386 9.6287 9.6287 11.8221 11.8221 12.9044 12.9044 15.0592 15.0592 18.9135 18.9135 19.1075 19.1075 19.6033 19.6033 20.4996 20.4996 k = 0.2328 0.1344 0.4511 ( 1132 PWs) bands (ev): -44.9930 -44.9930 -19.3822 -19.3822 -11.9817 -11.9817 -11.5298 -11.5298 5.4596 5.4596 9.7273 9.7273 11.6792 11.6792 12.8225 12.8225 14.9619 14.9619 18.9904 18.9904 19.2072 19.2072 19.6617 19.6617 20.6673 20.6673 k = 0.2414 0.1394 0.4511 ( 1132 PWs) bands (ev): -44.9917 -44.9917 -19.3861 -19.3861 -11.9859 -11.9859 -11.5417 -11.5417 5.4815 5.4815 9.8272 9.8272 11.5385 11.5385 12.7429 12.7429 14.8678 14.8678 19.0635 19.0635 19.3125 19.3125 19.7205 19.7205 20.8346 20.8346 k = 0.2500 0.1443 0.4511 ( 1132 PWs) bands (ev): -44.9903 -44.9903 -19.3901 -19.3901 -11.9903 -11.9903 -11.5532 -11.5532 5.5041 5.5041 9.9280 9.9280 11.4002 11.4002 12.6657 12.6657 14.7770 14.7770 19.1333 19.1333 19.4233 19.4233 19.7797 19.7797 21.0010 21.0010 k = 0.2586 0.1493 0.4511 ( 1136 PWs) bands (ev): -44.9890 -44.9890 -19.3941 -19.3941 -11.9951 -11.9951 -11.5645 -11.5645 5.5276 5.5276 10.0292 10.0292 11.2646 11.2646 12.5910 12.5910 14.6896 14.6896 19.2003 19.2003 19.5389 19.5389 19.8390 19.8390 21.1664 21.1664 k = 0.2672 0.1543 0.4511 ( 1128 PWs) bands (ev): -44.9877 -44.9877 -19.3979 -19.3979 -11.9999 -11.9999 -11.5752 -11.5752 5.5519 5.5519 10.1302 10.1302 11.1321 11.1321 12.5188 12.5188 14.6059 14.6059 19.2649 19.2649 19.6587 19.6587 19.8985 19.8985 21.3302 21.3302 k = 0.2759 0.1593 0.4511 ( 1132 PWs) bands (ev): -44.9863 -44.9863 -19.4019 -19.4019 -12.0051 -12.0051 -11.5856 -11.5856 5.5769 5.5769 10.2302 10.2302 11.0034 11.0034 12.4491 12.4491 14.5258 14.5258 19.3275 19.3275 19.7823 19.7823 19.9579 19.9579 21.4923 21.4923 k = 0.2845 0.1642 0.4511 ( 1128 PWs) bands (ev): -44.9850 -44.9850 -19.4057 -19.4057 -12.0105 -12.0105 -11.5954 -11.5954 5.6026 5.6026 10.3271 10.3271 10.8801 10.8801 12.3818 12.3818 14.4496 14.4496 19.3886 19.3886 19.9091 19.9091 20.0173 20.0173 21.6521 21.6521 k = 0.2931 0.1692 0.4511 ( 1128 PWs) bands (ev): -44.9837 -44.9837 -19.4096 -19.4096 -12.0162 -12.0162 -11.6048 -11.6048 5.6291 5.6291 10.4156 10.4156 10.7676 10.7676 12.3171 12.3171 14.3774 14.3774 19.4481 19.4481 20.0370 20.0370 20.0781 20.0781 21.8095 21.8095 k = 0.3017 0.1742 0.4511 ( 1128 PWs) bands (ev): -44.9825 -44.9825 -19.4134 -19.4134 -12.0221 -12.0221 -11.6137 -11.6137 5.6562 5.6562 10.4713 10.4713 10.6898 10.6898 12.2550 12.2550 14.3093 14.3093 19.5064 19.5064 20.1281 20.1281 20.1777 20.1777 21.9639 21.9639 k = 0.3103 0.1792 0.4511 ( 1130 PWs) bands (ev): -44.9812 -44.9812 -19.4172 -19.4172 -12.0282 -12.0282 -11.6221 -11.6221 5.6838 5.6838 10.4362 10.4362 10.7044 10.7044 12.1954 12.1954 14.2454 14.2454 19.5635 19.5635 20.1861 20.1861 20.3116 20.3116 22.1152 22.1152 k = 0.3190 0.1842 0.4511 ( 1128 PWs) bands (ev): -44.9800 -44.9800 -19.4208 -19.4208 -12.0343 -12.0343 -11.6299 -11.6299 5.7120 5.7120 10.3427 10.3427 10.7789 10.7789 12.1384 12.1384 14.1860 14.1860 19.6195 19.6195 20.2411 20.2411 20.4494 20.4494 22.2628 22.2628 k = 0.3276 0.1891 0.4511 ( 1128 PWs) bands (ev): -44.9788 -44.9788 -19.4244 -19.4244 -12.0406 -12.0406 -11.6372 -11.6372 5.7407 5.7407 10.2373 10.2373 10.8664 10.8664 12.0840 12.0840 14.1310 14.1310 19.6744 19.6744 20.2940 20.2940 20.5894 20.5894 22.4064 22.4064 k = 0.3362 0.1941 0.4511 ( 1124 PWs) bands (ev): -44.9776 -44.9776 -19.4279 -19.4279 -12.0469 -12.0469 -11.6440 -11.6440 5.7697 5.7697 10.1308 10.1308 10.9557 10.9557 12.0322 12.0322 14.0806 14.0806 19.7283 19.7283 20.3447 20.3447 20.7312 20.7312 22.5457 22.5457 k = 0.3448 0.1991 0.4511 ( 1124 PWs) bands (ev): -44.9765 -44.9765 -19.4313 -19.4313 -12.0533 -12.0533 -11.6503 -11.6503 5.7990 5.7990 10.0261 10.0261 11.0437 11.0437 11.9830 11.9830 14.0349 14.0349 19.7810 19.7810 20.3927 20.3927 20.8743 20.8743 22.6801 22.6801 k = 0.3534 0.2041 0.4511 ( 1130 PWs) bands (ev): -44.9754 -44.9754 -19.4347 -19.4347 -12.0598 -12.0598 -11.6561 -11.6561 5.8284 5.8284 9.9242 9.9242 11.1291 11.1291 11.9365 11.9365 13.9939 13.9939 19.8326 19.8326 20.4379 20.4379 21.0184 21.0184 22.8094 22.8094 k = 0.3621 0.2090 0.4511 ( 1130 PWs) bands (ev): -44.9743 -44.9743 -19.4378 -19.4378 -12.0661 -12.0661 -11.6615 -11.6615 5.8579 5.8579 9.8258 9.8258 11.2110 11.2110 11.8926 11.8926 13.9578 13.9578 19.8829 19.8829 20.4800 20.4800 21.1628 21.1628 22.9331 22.9331 k = 0.3707 0.2140 0.4511 ( 1130 PWs) bands (ev): -44.9734 -44.9734 -19.4409 -19.4409 -12.0723 -12.0723 -11.6663 -11.6663 5.8872 5.8872 9.7311 9.7311 11.2888 11.2888 11.8515 11.8515 13.9264 13.9264 19.9319 19.9319 20.5186 20.5186 21.3073 21.3073 23.0508 23.0508 k = 0.3793 0.2190 0.4511 ( 1130 PWs) bands (ev): -44.9724 -44.9724 -19.4437 -19.4437 -12.0784 -12.0784 -11.6707 -11.6707 5.9163 5.9163 9.6406 9.6406 11.3619 11.3619 11.8130 11.8130 13.8998 13.8998 19.9795 19.9795 20.5536 20.5536 21.4510 21.4510 23.1620 23.1620 k = 0.3879 0.2240 0.4511 ( 1122 PWs) bands (ev): -44.9715 -44.9715 -19.4463 -19.4463 -12.0840 -12.0840 -11.6747 -11.6747 5.9450 5.9450 9.5545 9.5545 11.4299 11.4299 11.7774 11.7774 13.8778 13.8778 20.0255 20.0255 20.5848 20.5848 21.5934 21.5934 23.2663 23.2663 k = 0.3966 0.2289 0.4511 ( 1122 PWs) bands (ev): -44.9707 -44.9707 -19.4488 -19.4488 -12.0896 -12.0896 -11.6783 -11.6783 5.9730 5.9730 9.4731 9.4731 11.4924 11.4924 11.7448 11.7448 13.8602 13.8602 20.0697 20.0697 20.6121 20.6121 21.7337 21.7337 23.3630 23.3630 k = 0.4052 0.2339 0.4511 ( 1118 PWs) bands (ev): -44.9699 -44.9699 -19.4511 -19.4511 -12.0948 -12.0948 -11.6815 -11.6815 6.0001 6.0001 9.3966 9.3966 11.5487 11.5487 11.7155 11.7155 13.8467 13.8467 20.1119 20.1119 20.6355 20.6355 21.8710 21.8710 23.4515 23.4515 k = 0.4138 0.2389 0.4511 ( 1122 PWs) bands (ev): -44.9691 -44.9691 -19.4534 -19.4534 -12.0998 -12.0998 -11.6844 -11.6844 6.0261 6.0261 9.3253 9.3253 11.5969 11.5969 11.6913 11.6913 13.8370 13.8370 20.1520 20.1520 20.6552 20.6552 22.0040 22.0040 23.5307 23.5307 k = 0.4224 0.2439 0.4511 ( 1122 PWs) bands (ev): -44.9685 -44.9685 -19.4554 -19.4554 -12.1044 -12.1044 -11.6870 -11.6870 6.0508 6.0508 9.2596 9.2596 11.6277 11.6277 11.6816 11.6816 13.8307 13.8307 20.1896 20.1896 20.6711 20.6711 22.1318 22.1318 23.5993 23.5993 k = 0.4310 0.2489 0.4511 ( 1122 PWs) bands (ev): -44.9679 -44.9679 -19.4572 -19.4572 -12.1087 -12.1087 -11.6892 -11.6892 6.0739 6.0739 9.1997 9.1997 11.6242 11.6242 11.7033 11.7033 13.8272 13.8272 20.2245 20.2245 20.6837 20.6837 22.2528 22.2528 23.6549 23.6549 k = 0.4397 0.2538 0.4511 ( 1122 PWs) bands (ev): -44.9674 -44.9674 -19.4589 -19.4589 -12.1125 -12.1125 -11.6911 -11.6911 6.0951 6.0951 9.1460 9.1460 11.6086 11.6086 11.7343 11.7343 13.8260 13.8260 20.2564 20.2564 20.6933 20.6933 22.3654 22.3654 23.6946 23.6946 k = 0.4483 0.2588 0.4511 ( 1124 PWs) bands (ev): -44.9669 -44.9669 -19.4603 -19.4603 -12.1158 -12.1158 -11.6928 -11.6928 6.1142 6.1142 9.0987 9.0987 11.5928 11.5928 11.7628 11.7628 13.8265 13.8265 20.2851 20.2851 20.7002 20.7002 22.4680 22.4680 23.7164 23.7164 k = 0.4569 0.2638 0.4511 ( 1126 PWs) bands (ev): -44.9665 -44.9665 -19.4616 -19.4616 -12.1187 -12.1187 -11.6942 -11.6942 6.1309 6.1309 9.0581 9.0581 11.5788 11.5788 11.7869 11.7869 13.8281 13.8281 20.3102 20.3102 20.7049 20.7049 22.5588 22.5588 23.7226 23.7226 k = 0.4655 0.2688 0.4511 ( 1126 PWs) bands (ev): -44.9662 -44.9662 -19.4626 -19.4626 -12.1211 -12.1211 -11.6953 -11.6953 6.1449 6.1449 9.0244 9.0244 11.5672 11.5672 11.8065 11.8065 13.8304 13.8304 20.3313 20.3313 20.7079 20.7079 22.6360 22.6360 23.7195 23.7195 k = 0.4741 0.2737 0.4511 ( 1122 PWs) bands (ev): -44.9659 -44.9659 -19.4632 -19.4632 -12.1229 -12.1229 -11.6960 -11.6960 6.1561 6.1561 8.9980 8.9980 11.5581 11.5581 11.8216 11.8216 13.8327 13.8327 20.3482 20.3482 20.7096 20.7096 22.6979 22.6979 23.7129 23.7129 k = 0.4828 0.2787 0.4511 ( 1126 PWs) bands (ev): -44.9658 -44.9658 -19.4639 -19.4639 -12.1243 -12.1243 -11.6967 -11.6967 6.1642 6.1642 8.9790 8.9790 11.5516 11.5516 11.8323 11.8323 13.8347 13.8347 20.3605 20.3605 20.7105 20.7105 22.7431 22.7431 23.7067 23.7067 k = 0.4914 0.2837 0.4511 ( 1128 PWs) bands (ev): -44.9657 -44.9657 -19.4643 -19.4643 -12.1252 -12.1252 -11.6971 -11.6971 6.1691 6.1691 8.9675 8.9675 11.5476 11.5476 11.8386 11.8386 13.8360 13.8360 20.3679 20.3679 20.7108 20.7108 22.7706 22.7706 23.7024 23.7024 k = 0.5000 0.2887 0.4511 ( 1124 PWs) bands (ev): -44.9656 -44.9656 -19.4643 -19.4643 -12.1254 -12.1254 -11.6971 -11.6971 6.1708 6.1708 8.9637 8.9637 11.5463 11.5463 11.8408 11.8408 13.8364 13.8364 20.3705 20.3705 20.7109 20.7109 22.7799 22.7799 23.7009 23.7009 k = 0.5000 0.2887 0.4511 ( 1124 PWs) bands (ev): -44.9656 -44.9656 -19.4643 -19.4643 -12.1254 -12.1254 -11.6971 -11.6971 6.1708 6.1708 8.9637 8.9637 11.5463 11.5463 11.8408 11.8408 13.8364 13.8364 20.3705 20.3705 20.7109 20.7109 22.7799 22.7799 23.7009 23.7009 k = 0.4951 0.2972 0.4511 ( 1128 PWs) bands (ev): -44.9656 -44.9656 -19.4644 -19.4644 -12.1253 -12.1253 -11.6975 -11.6975 6.1718 6.1718 8.9620 8.9620 11.5445 11.5445 11.8432 11.8432 13.8358 13.8358 20.3760 20.3760 20.7118 20.7118 22.7806 22.7806 23.7011 23.7011 k = 0.4902 0.3057 0.4511 ( 1128 PWs) bands (ev): -44.9656 -44.9656 -19.4645 -19.4645 -12.1248 -12.1248 -11.6986 -11.6986 6.1749 6.1749 8.9570 8.9570 11.5392 11.5392 11.8507 11.8507 13.8341 13.8341 20.3926 20.3926 20.7143 20.7143 22.7828 22.7828 23.7017 23.7017 k = 0.4853 0.3141 0.4511 ( 1128 PWs) bands (ev): -44.9655 -44.9655 -19.4646 -19.4646 -12.1239 -12.1239 -11.7003 -11.7003 6.1801 6.1801 8.9486 8.9486 11.5303 11.5303 11.8630 11.8630 13.8311 13.8311 20.4201 20.4201 20.7186 20.7186 22.7863 22.7863 23.7026 23.7026 k = 0.4804 0.3226 0.4511 ( 1128 PWs) bands (ev): -44.9654 -44.9654 -19.4648 -19.4648 -12.1227 -12.1227 -11.7027 -11.7027 6.1874 6.1874 8.9370 8.9370 11.5182 11.5182 11.8802 11.8802 13.8271 13.8271 20.4582 20.4582 20.7248 20.7248 22.7914 22.7914 23.7038 23.7038 k = 0.4755 0.3311 0.4511 ( 1124 PWs) bands (ev): -44.9653 -44.9653 -19.4650 -19.4650 -12.1211 -12.1211 -11.7058 -11.7058 6.1967 6.1967 8.9220 8.9220 11.5029 11.5029 11.9022 11.9022 13.8218 13.8218 20.5064 20.5064 20.7330 20.7330 22.7978 22.7978 23.7052 23.7052 k = 0.4706 0.3396 0.4511 ( 1128 PWs) bands (ev): -44.9652 -44.9652 -19.4654 -19.4654 -12.1193 -12.1193 -11.7096 -11.7096 6.2081 6.2081 8.9036 8.9036 11.4848 11.4848 11.9288 11.9288 13.8155 13.8155 20.5635 20.5635 20.7441 20.7441 22.8058 22.8058 23.7068 23.7068 k = 0.4657 0.3481 0.4511 ( 1124 PWs) bands (ev): -44.9650 -44.9650 -19.4656 -19.4656 -12.1171 -12.1171 -11.7139 -11.7139 6.2216 6.2216 8.8820 8.8820 11.4641 11.4641 11.9600 11.9600 13.8080 13.8080 20.6273 20.6273 20.7599 20.7599 22.8152 22.8152 23.7084 23.7084 k = 0.4608 0.3566 0.4511 ( 1120 PWs) bands (ev): -44.9649 -44.9649 -19.4660 -19.4660 -12.1145 -12.1145 -11.7188 -11.7188 6.2372 6.2372 8.8570 8.8570 11.4413 11.4413 11.9956 11.9956 13.7995 13.7995 20.6902 20.6902 20.7875 20.7875 22.8261 22.8261 23.7096 23.7096 k = 0.4559 0.3651 0.4511 ( 1120 PWs) bands (ev): -44.9647 -44.9647 -19.4664 -19.4664 -12.1117 -12.1117 -11.7243 -11.7243 6.2549 6.2549 8.8288 8.8288 11.4166 11.4166 12.0354 12.0354 13.7900 13.7900 20.7351 20.7351 20.8434 20.8434 22.8385 22.8385 23.7101 23.7101 k = 0.4510 0.3736 0.4511 ( 1120 PWs) bands (ev): -44.9645 -44.9645 -19.4669 -19.4669 -12.1085 -12.1085 -11.7305 -11.7305 6.2746 6.2746 8.7973 8.7973 11.3903 11.3903 12.0792 12.0792 13.7794 13.7794 20.7613 20.7613 20.9277 20.9277 22.8523 22.8523 23.7088 23.7088 k = 0.4461 0.3821 0.4511 ( 1130 PWs) bands (ev): -44.9643 -44.9643 -19.4677 -19.4677 -12.1051 -12.1051 -11.7374 -11.7374 6.2964 6.2964 8.7625 8.7625 11.3630 11.3630 12.1267 12.1267 13.7680 13.7680 20.7808 20.7808 21.0276 21.0276 22.8675 22.8675 23.7036 23.7036 k = 0.4412 0.3906 0.4511 ( 1126 PWs) bands (ev): -44.9641 -44.9641 -19.4681 -19.4681 -12.1014 -12.1014 -11.7444 -11.7444 6.3203 6.3203 8.7246 8.7246 11.3348 11.3348 12.1778 12.1778 13.7557 13.7557 20.7987 20.7987 21.1373 21.1373 22.8840 22.8840 23.6896 23.6896 k = 0.4363 0.3991 0.4511 ( 1126 PWs) bands (ev): -44.9638 -44.9638 -19.4687 -19.4687 -12.0973 -12.0973 -11.7521 -11.7521 6.3462 6.3462 8.6836 8.6836 11.3062 11.3062 12.2321 12.2321 13.7427 13.7427 20.8165 20.8165 21.2545 21.2545 22.9016 22.9016 23.6552 23.6552 k = 0.4314 0.4075 0.4511 ( 1124 PWs) bands (ev): -44.9636 -44.9636 -19.4693 -19.4693 -12.0929 -12.0929 -11.7601 -11.7601 6.3742 6.3742 8.6397 8.6397 11.2775 11.2775 12.2894 12.2894 13.7290 13.7290 20.8344 20.8344 21.3779 21.3779 22.9198 22.9198 23.5839 23.5839 k = 0.4265 0.4160 0.4511 ( 1128 PWs) bands (ev): -44.9633 -44.9633 -19.4701 -19.4701 -12.0883 -12.0883 -11.7687 -11.7687 6.4042 6.4042 8.5928 8.5928 11.2490 11.2490 12.3491 12.3491 13.7147 13.7147 20.8527 20.8527 21.5061 21.5061 22.9377 22.9377 23.4784 23.4784 k = 0.4216 0.4245 0.4511 ( 1128 PWs) bands (ev): -44.9630 -44.9630 -19.4708 -19.4708 -12.0834 -12.0834 -11.7775 -11.7775 6.4364 6.4364 8.5431 8.5431 11.2209 11.2209 12.4110 12.4110 13.7000 13.7000 20.8713 20.8713 21.6381 21.6381 22.9528 22.9528 23.3591 23.3591 k = 0.4167 0.4330 0.4511 ( 1124 PWs) bands (ev): -44.9627 -44.9627 -19.4714 -19.4714 -12.0783 -12.0783 -11.7865 -11.7865 6.4706 6.4706 8.4908 8.4908 11.1935 11.1935 12.4747 12.4747 13.6851 13.6851 20.8900 20.8900 21.7726 21.7726 22.9580 22.9580 23.2453 23.2453 k = 0.4118 0.4415 0.4511 ( 1124 PWs) bands (ev): -44.9625 -44.9625 -19.4721 -19.4721 -12.0729 -12.0729 -11.7959 -11.7959 6.5068 6.5068 8.4359 8.4359 11.1671 11.1671 12.5396 12.5396 13.6699 13.6699 20.9087 20.9087 21.9079 21.9079 22.9327 22.9327 23.1632 23.1632 k = 0.4069 0.4500 0.4511 ( 1124 PWs) bands (ev): -44.9622 -44.9622 -19.4728 -19.4728 -12.0672 -12.0672 -11.8056 -11.8056 6.5452 6.5452 8.3787 8.3787 11.1417 11.1417 12.6052 12.6052 13.6549 13.6549 20.9270 20.9270 22.0423 22.0423 22.8569 22.8569 23.1365 23.1365 k = 0.4020 0.4585 0.4511 ( 1124 PWs) bands (ev): -44.9619 -44.9619 -19.4735 -19.4735 -12.0614 -12.0614 -11.8154 -11.8154 6.5856 6.5856 8.3194 8.3194 11.1175 11.1175 12.6709 12.6709 13.6400 13.6400 20.9448 20.9448 22.1728 22.1728 22.7531 22.7531 23.1461 23.1461 k = 0.3971 0.4670 0.4511 ( 1124 PWs) bands (ev): -44.9616 -44.9616 -19.4742 -19.4742 -12.0553 -12.0553 -11.8253 -11.8253 6.6280 6.6280 8.2580 8.2580 11.0948 11.0948 12.7361 12.7361 13.6257 13.6257 20.9617 20.9617 22.2927 22.2927 22.6499 22.6499 23.1702 23.1702 k = 0.3922 0.4755 0.4511 ( 1124 PWs) bands (ev): -44.9614 -44.9614 -19.4749 -19.4749 -12.0490 -12.0490 -11.8354 -11.8354 6.6725 6.6725 8.1948 8.1948 11.0735 11.0735 12.8001 12.8001 13.6121 13.6121 20.9773 20.9773 22.3737 22.3737 22.5831 22.5831 23.2009 23.2009 k = 0.3873 0.4840 0.4511 ( 1120 PWs) bands (ev): -44.9611 -44.9611 -19.4755 -19.4755 -12.0426 -12.0426 -11.8453 -11.8453 6.7191 6.7191 8.1300 8.1300 11.0538 11.0538 12.8621 12.8621 13.5995 13.5995 20.9911 20.9911 22.3488 22.3488 22.6218 22.6218 23.2353 23.2353 k = 0.3824 0.4924 0.4511 ( 1124 PWs) bands (ev): -44.9608 -44.9608 -19.4762 -19.4762 -12.0361 -12.0361 -11.8554 -11.8554 6.7676 6.7676 8.0638 8.0638 11.0356 11.0356 12.9212 12.9212 13.5882 13.5882 21.0028 21.0028 22.2685 22.2685 22.7166 22.7166 23.2721 23.2721 k = 0.3775 0.5009 0.4511 ( 1116 PWs) bands (ev): -44.9606 -44.9606 -19.4767 -19.4767 -12.0293 -12.0293 -11.8652 -11.8652 6.8183 6.8183 7.9965 7.9965 11.0192 11.0192 12.9765 12.9765 13.5788 13.5788 21.0119 21.0119 22.1840 22.1840 22.8167 22.8167 23.3102 23.3102 k = 0.3725 0.5094 0.4511 ( 1116 PWs) bands (ev): -44.9604 -44.9604 -19.4773 -19.4773 -12.0225 -12.0225 -11.8750 -11.8750 6.8710 6.8710 7.9280 7.9280 11.0044 11.0044 13.0271 13.0271 13.5715 13.5715 21.0181 21.0181 22.1061 22.1061 22.9118 22.9118 23.3485 23.3485 k = 0.3676 0.5179 0.4511 ( 1120 PWs) bands (ev): -44.9602 -44.9602 -19.4779 -19.4779 -12.0157 -12.0157 -11.8847 -11.8847 6.9257 6.9257 7.8588 7.8588 10.9914 10.9914 13.0720 13.0720 13.5668 13.5668 21.0211 21.0211 22.0377 22.0377 22.9997 22.9997 23.3854 23.3854 k = 0.3627 0.5264 0.4511 ( 1120 PWs) bands (ev): -44.9600 -44.9600 -19.4784 -19.4784 -12.0088 -12.0088 -11.8941 -11.8941 6.9825 6.9825 7.7889 7.7889 10.9800 10.9800 13.1103 13.1103 13.5649 13.5649 21.0212 21.0212 21.9800 21.9800 23.0797 23.0797 23.4188 23.4188 k = 0.3578 0.5349 0.4511 ( 1116 PWs) bands (ev): -44.9598 -44.9598 -19.4787 -19.4787 -12.0020 -12.0020 -11.9029 -11.9029 7.0413 7.0413 7.7186 7.7186 10.9705 10.9705 13.1416 13.1416 13.5657 13.5657 21.0187 21.0187 21.9334 21.9334 23.1521 23.1521 23.4459 23.4459 k = 0.3529 0.5434 0.4511 ( 1116 PWs) bands (ev): -44.9597 -44.9597 -19.4791 -19.4791 -11.9954 -11.9954 -11.9113 -11.9113 7.1021 7.1021 7.6481 7.6481 10.9626 10.9626 13.1658 13.1658 13.5689 13.5689 21.0143 21.0143 21.8974 21.8974 23.2175 23.2175 23.4634 23.4634 k = 0.3480 0.5519 0.4511 ( 1120 PWs) bands (ev): -44.9596 -44.9596 -19.4795 -19.4795 -11.9894 -11.9894 -11.9189 -11.9189 7.1649 7.1649 7.5774 7.5774 10.9565 10.9565 13.1830 13.1830 13.5736 13.5736 21.0091 21.0091 21.8714 21.8714 23.2763 23.2763 23.4688 23.4688 k = 0.3431 0.5604 0.4511 ( 1120 PWs) bands (ev): -44.9595 -44.9595 -19.4797 -19.4797 -11.9843 -11.9843 -11.9251 -11.9251 7.2297 7.2297 7.5069 7.5069 10.9522 10.9522 13.1942 13.1942 13.5786 13.5786 21.0042 21.0042 21.8542 21.8542 23.3287 23.3287 23.4615 23.4615 k = 0.3382 0.5689 0.4511 ( 1120 PWs) bands (ev): -44.9594 -44.9594 -19.4798 -19.4798 -11.9807 -11.9807 -11.9294 -11.9294 7.2962 7.2962 7.4367 7.4367 10.9496 10.9496 13.2002 13.2002 13.5825 13.5825 21.0006 21.0006 21.8446 21.8446 23.3744 23.3744 23.4424 23.4424 k = 0.3333 0.5774 0.4511 ( 1116 PWs) bands (ev): -44.9594 -44.9594 -19.4798 -19.4798 -11.9792 -11.9792 -11.9309 -11.9309 7.3559 7.3559 7.3758 7.3758 10.9487 10.9487 13.2020 13.2020 13.5840 13.5840 20.9994 20.9994 21.8416 21.8416 23.4093 23.4093 23.4163 23.4163 k = 0.3333 0.5774 0.4511 ( 1116 PWs) bands (ev): -44.9594 -44.9594 -19.4798 -19.4798 -11.9792 -11.9792 -11.9309 -11.9309 7.3559 7.3559 7.3758 7.3758 10.9487 10.9487 13.2020 13.2020 13.5840 13.5840 20.9994 20.9994 21.8416 21.8416 23.4093 23.4093 23.4163 23.4163 k = 0.3284 0.5687 0.4511 ( 1120 PWs) bands (ev): -44.9594 -44.9594 -19.4798 -19.4798 -11.9807 -11.9807 -11.9294 -11.9294 7.2945 7.2945 7.4386 7.4386 10.9496 10.9496 13.2004 13.2004 13.5822 13.5822 21.0008 21.0008 21.8444 21.8444 23.3740 23.3740 23.4422 23.4422 k = 0.3234 0.5601 0.4511 ( 1120 PWs) bands (ev): -44.9595 -44.9595 -19.4797 -19.4797 -11.9841 -11.9841 -11.9252 -11.9252 7.2247 7.2247 7.5123 7.5123 10.9523 10.9523 13.1957 13.1957 13.5762 13.5762 21.0049 21.0049 21.8525 21.8525 23.3277 23.3277 23.4594 23.4594 k = 0.3184 0.5515 0.4511 ( 1120 PWs) bands (ev): -44.9596 -44.9596 -19.4794 -19.4794 -11.9887 -11.9887 -11.9193 -11.9193 7.1553 7.1553 7.5884 7.5884 10.9568 10.9568 13.1882 13.1882 13.5659 13.5659 21.0113 21.0113 21.8654 21.8654 23.2742 23.2742 23.4629 23.4629 k = 0.3134 0.5429 0.4511 ( 1120 PWs) bands (ev): -44.9597 -44.9597 -19.4790 -19.4790 -11.9939 -11.9939 -11.9124 -11.9124 7.0868 7.0868 7.6665 7.6665 10.9631 10.9631 13.1776 13.1776 13.5516 13.5516 21.0188 21.0188 21.8830 21.8830 23.2142 23.2142 23.4538 23.4538 k = 0.3085 0.5343 0.4511 ( 1112 PWs) bands (ev): -44.9599 -44.9599 -19.4783 -19.4783 -11.9991 -11.9991 -11.9047 -11.9047 7.0191 7.0191 7.7467 7.7467 10.9712 10.9712 13.1634 13.1634 13.5341 13.5341 21.0261 21.0261 21.9056 21.9056 23.1478 23.1478 23.4363 23.4363 k = 0.3035 0.5256 0.4511 ( 1112 PWs) bands (ev): -44.9601 -44.9601 -19.4777 -19.4777 -12.0043 -12.0043 -11.8967 -11.8967 6.9524 6.9524 7.8290 7.8290 10.9811 10.9811 13.1445 13.1445 13.5148 13.5148 21.0315 21.0315 21.9329 21.9329 23.0756 23.0756 23.4153 23.4153 k = 0.2985 0.5170 0.4511 ( 1112 PWs) bands (ev): -44.9604 -44.9604 -19.4769 -19.4769 -12.0093 -12.0093 -11.8884 -11.8884 6.8868 6.8868 7.9133 7.9133 10.9929 10.9929 13.1195 13.1195 13.4953 13.4953 21.0334 21.0334 21.9646 21.9646 22.9981 22.9981 23.3957 23.3957 k = 0.2935 0.5084 0.4511 ( 1112 PWs) bands (ev): -44.9607 -44.9607 -19.4760 -19.4760 -12.0139 -12.0139 -11.8799 -11.8799 6.8222 6.8222 7.9997 7.9997 11.0065 11.0065 13.0869 13.0869 13.4777 13.4777 21.0302 21.0302 21.9998 21.9998 22.9159 22.9159 23.3809 23.3809 k = 0.2886 0.4998 0.4511 ( 1112 PWs) bands (ev): -44.9611 -44.9611 -19.4750 -19.4750 -12.0182 -12.0182 -11.8712 -11.8712 6.7589 6.7589 8.0880 8.0880 11.0219 11.0219 13.0454 13.0454 13.4638 13.4638 21.0207 21.0207 22.0367 22.0367 22.8298 22.8298 23.3739 23.3739 k = 0.2836 0.4912 0.4511 ( 1112 PWs) bands (ev): -44.9615 -44.9615 -19.4738 -19.4738 -12.0220 -12.0220 -11.8624 -11.8624 6.6968 6.6968 8.1784 8.1784 11.0392 11.0392 12.9945 12.9945 13.4547 13.4547 21.0044 21.0044 22.0727 22.0727 22.7403 22.7403 23.3772 23.3772 k = 0.2786 0.4826 0.4511 ( 1116 PWs) bands (ev): -44.9620 -44.9620 -19.4726 -19.4726 -12.0254 -12.0254 -11.8535 -11.8535 6.6360 6.6360 8.2708 8.2708 11.0584 11.0584 12.9342 12.9342 13.4508 13.4508 20.9811 20.9811 22.1043 22.1043 22.6482 22.6482 23.3927 23.3927 k = 0.2736 0.4739 0.4511 ( 1116 PWs) bands (ev): -44.9625 -44.9625 -19.4711 -19.4711 -12.0283 -12.0283 -11.8444 -11.8444 6.5765 6.5765 8.3652 8.3652 11.0794 11.0794 12.8652 12.8652 13.4523 13.4523 20.9508 20.9508 22.1281 22.1281 22.5538 22.5538 23.4212 23.4212 k = 0.2687 0.4653 0.4511 ( 1116 PWs) bands (ev): -44.9630 -44.9630 -19.4695 -19.4695 -12.0307 -12.0307 -11.8353 -11.8353 6.5183 6.5183 8.4615 8.4615 11.1023 11.1023 12.7885 12.7885 13.4587 13.4587 20.9140 20.9140 22.1408 22.1408 22.4577 22.4577 23.4603 23.4603 k = 0.2637 0.4567 0.4511 ( 1116 PWs) bands (ev): -44.9637 -44.9637 -19.4677 -19.4677 -12.0327 -12.0327 -11.8261 -11.8261 6.4616 6.4616 8.5599 8.5599 11.1270 11.1270 12.7050 12.7050 13.4696 13.4696 20.8712 20.8712 22.1402 22.1402 22.3603 22.3603 23.4998 23.4998 k = 0.2587 0.4481 0.4511 ( 1118 PWs) bands (ev): -44.9643 -44.9643 -19.4658 -19.4658 -12.0342 -12.0342 -11.8168 -11.8168 6.4062 6.4062 8.6602 8.6602 11.1535 11.1535 12.6158 12.6158 13.4847 13.4847 20.8231 20.8231 22.1250 22.1250 22.2621 22.2621 23.5142 23.5142 k = 0.2537 0.4395 0.4511 ( 1122 PWs) bands (ev): -44.9650 -44.9650 -19.4639 -19.4639 -12.0352 -12.0352 -11.8075 -11.8075 6.3522 6.3522 8.7624 8.7624 11.1818 11.1818 12.5217 12.5217 13.5038 13.5038 20.7703 20.7703 22.0947 22.0947 22.1642 22.1642 23.4746 23.4746 k = 0.2488 0.4309 0.4511 ( 1118 PWs) bands (ev): -44.9658 -44.9658 -19.4616 -19.4616 -12.0357 -12.0357 -11.7980 -11.7980 6.2997 6.2997 8.8666 8.8666 11.2116 11.2116 12.4237 12.4237 13.5265 13.5265 20.7133 20.7133 22.0428 22.0428 22.0740 22.0740 23.3882 23.3882 k = 0.2438 0.4222 0.4511 ( 1118 PWs) bands (ev): -44.9666 -44.9666 -19.4592 -19.4592 -12.0358 -12.0358 -11.7883 -11.7883 6.2485 6.2485 8.9727 8.9727 11.2428 11.2428 12.3226 12.3226 13.5529 13.5529 20.6528 20.6528 21.9542 21.9542 22.0081 22.0081 23.2766 23.2766 k = 0.2388 0.4136 0.4511 ( 1122 PWs) bands (ev): -44.9675 -44.9675 -19.4568 -19.4568 -12.0355 -12.0355 -11.7787 -11.7787 6.1988 6.1988 9.0807 9.0807 11.2751 11.2751 12.2195 12.2195 13.5827 13.5827 20.5893 20.5893 21.8548 21.8548 21.9417 21.9417 23.1517 23.1517 k = 0.2338 0.4050 0.4511 ( 1118 PWs) bands (ev): -44.9684 -44.9684 -19.4541 -19.4541 -12.0347 -12.0347 -11.7688 -11.7688 6.1506 6.1506 9.1906 9.1906 11.3077 11.3077 12.1154 12.1154 13.6158 13.6158 20.5231 20.5231 21.7538 21.7538 21.8671 21.8671 23.0194 23.0194 k = 0.2289 0.3964 0.4511 ( 1122 PWs) bands (ev): -44.9693 -44.9693 -19.4514 -19.4514 -12.0337 -12.0337 -11.7589 -11.7589 6.1037 6.1037 9.3024 9.3024 11.3395 11.3395 12.0121 12.0121 13.6523 13.6523 20.4548 20.4548 21.6522 21.6522 21.7846 21.7846 22.8824 22.8824 k = 0.2239 0.3878 0.4511 ( 1122 PWs) bands (ev): -44.9703 -44.9703 -19.4485 -19.4485 -12.0322 -12.0322 -11.7488 -11.7488 6.0583 6.0583 9.4161 9.4161 11.3678 11.3678 11.9127 11.9127 13.6921 13.6921 20.3846 20.3846 21.5502 21.5502 21.6951 21.6951 22.7426 22.7426 k = 0.2189 0.3792 0.4511 ( 1122 PWs) bands (ev): -44.9713 -44.9713 -19.4455 -19.4455 -12.0304 -12.0304 -11.7385 -11.7385 6.0143 6.0143 9.5316 9.5316 11.3872 11.3872 11.8230 11.8230 13.7352 13.7352 20.3129 20.3129 21.4479 21.4479 21.5995 21.5995 22.6009 22.6009 k = 0.2139 0.3705 0.4511 ( 1126 PWs) bands (ev): -44.9724 -44.9724 -19.4424 -19.4424 -12.0284 -12.0284 -11.7282 -11.7282 5.9717 5.9717 9.6489 9.6489 11.3865 11.3865 11.7545 11.7545 13.7816 13.7816 20.2399 20.2399 21.3453 21.3453 21.4987 21.4987 22.4579 22.4579 k = 0.2090 0.3619 0.4511 ( 1134 PWs) bands (ev): -44.9736 -44.9736 -19.4393 -19.4393 -12.0261 -12.0261 -11.7177 -11.7177 5.9305 5.9305 9.7680 9.7680 11.3514 11.3514 11.7219 11.7219 13.8312 13.8312 20.1658 20.1658 21.2423 21.2423 21.3939 21.3939 22.3142 22.3142 k = 0.2040 0.3533 0.4511 ( 1130 PWs) bands (ev): -44.9747 -44.9747 -19.4358 -19.4358 -12.0234 -12.0234 -11.7069 -11.7069 5.8906 5.8906 9.8889 9.8889 11.2811 11.2811 11.7264 11.7264 13.8841 13.8841 20.0908 20.0908 21.1388 21.1388 21.2860 21.2860 22.1701 22.1701 k = 0.1990 0.3447 0.4511 ( 1132 PWs) bands (ev): -44.9759 -44.9759 -19.4324 -19.4324 -12.0206 -12.0206 -11.6960 -11.6960 5.8520 5.8520 10.0116 10.0116 11.1882 11.1882 11.7556 11.7556 13.9402 13.9402 20.0150 20.0150 21.0346 21.0346 21.1760 21.1760 22.0257 22.0257 k = 0.1940 0.3361 0.4511 ( 1132 PWs) bands (ev): -44.9771 -44.9771 -19.4289 -19.4289 -12.0175 -12.0175 -11.6849 -11.6849 5.8148 5.8148 10.1360 10.1360 11.0840 11.0840 11.7985 11.7985 13.9995 13.9995 19.9385 19.9385 20.9295 20.9295 21.0650 21.0650 21.8814 21.8814 k = 0.1891 0.3275 0.4511 ( 1128 PWs) bands (ev): -44.9783 -44.9783 -19.4251 -19.4251 -12.0143 -12.0143 -11.6735 -11.6735 5.7789 5.7789 10.2621 10.2621 10.9741 10.9741 11.8497 11.8497 14.0621 14.0621 19.8615 19.8615 20.8232 20.8232 20.9539 20.9539 21.7371 21.7371 k = 0.1841 0.3188 0.4511 ( 1124 PWs) bands (ev): -44.9796 -44.9796 -19.4213 -19.4213 -12.0109 -12.0109 -11.6619 -11.6619 5.7444 5.7444 10.3898 10.3898 10.8614 10.8614 11.9066 11.9066 14.1280 14.1280 19.7838 19.7838 20.7155 20.7155 20.8437 20.8437 21.5930 21.5930 k = 0.1791 0.3102 0.4511 ( 1128 PWs) bands (ev): -44.9809 -44.9809 -19.4176 -19.4176 -12.0076 -12.0076 -11.6502 -11.6502 5.7110 5.7110 10.5190 10.5190 10.7475 10.7475 11.9680 11.9680 14.1970 14.1970 19.7056 19.7056 20.6064 20.6064 20.7350 20.7350 21.4493 21.4493 k = 0.1741 0.3016 0.4511 ( 1128 PWs) bands (ev): -44.9822 -44.9822 -19.4138 -19.4138 -12.0041 -12.0041 -11.6382 -11.6382 5.6789 5.6789 10.6262 10.6262 10.6568 10.6568 12.0332 12.0332 14.2692 14.2692 19.6268 19.6268 20.4960 20.4960 20.6282 20.6282 21.3059 21.3059 k = 0.1692 0.2930 0.4511 ( 1128 PWs) bands (ev): -44.9835 -44.9835 -19.4099 -19.4099 -12.0006 -12.0006 -11.6261 -11.6261 5.6480 5.6480 10.5172 10.5172 10.7839 10.7839 12.1017 12.1017 14.3446 14.3446 19.5475 19.5475 20.3848 20.3848 20.5235 20.5235 21.1629 21.1629 k = 0.1642 0.2844 0.4511 ( 1128 PWs) bands (ev): -44.9848 -44.9848 -19.4059 -19.4059 -11.9971 -11.9971 -11.6137 -11.6137 5.6183 5.6183 10.4035 10.4035 10.9179 10.9179 12.1734 12.1734 14.4232 14.4232 19.4675 19.4675 20.2734 20.2734 20.4207 20.4207 21.0205 21.0205 k = 0.1592 0.2757 0.4511 ( 1128 PWs) bands (ev): -44.9862 -44.9862 -19.4020 -19.4020 -11.9936 -11.9936 -11.6011 -11.6011 5.5898 5.5898 10.2906 10.2906 11.0536 11.0536 12.2480 12.2480 14.5048 14.5048 19.3868 19.3868 20.1623 20.1623 20.3197 20.3197 20.8786 20.8786 k = 0.1542 0.2671 0.4511 ( 1124 PWs) bands (ev): -44.9875 -44.9875 -19.3979 -19.3979 -11.9900 -11.9900 -11.5883 -11.5883 5.5625 5.5625 10.1787 10.1787 11.1907 11.1907 12.3255 12.3255 14.5895 14.5895 19.3055 19.3055 20.0521 20.0521 20.2203 20.2203 20.7374 20.7374 k = 0.1493 0.2585 0.4511 ( 1124 PWs) bands (ev): -44.9889 -44.9889 -19.3939 -19.3939 -11.9866 -11.9866 -11.5754 -11.5754 5.5362 5.5362 10.0682 10.0682 11.3293 11.3293 12.4057 12.4057 14.6772 14.6772 19.2234 19.2234 19.9432 19.9432 20.1225 20.1225 20.5971 20.5971 k = 0.1443 0.2499 0.4511 ( 1128 PWs) bands (ev): -44.9902 -44.9902 -19.3900 -19.3900 -11.9834 -11.9834 -11.5624 -11.5624 5.5111 5.5111 9.9594 9.9594 11.4693 11.4693 12.4886 12.4886 14.7679 14.7679 19.1408 19.1408 19.8355 19.8355 20.0260 20.0260 20.4577 20.4577 k = 0.1393 0.2413 0.4511 ( 1128 PWs) bands (ev): -44.9916 -44.9916 -19.3861 -19.3861 -11.9801 -11.9801 -11.5492 -11.5492 5.4870 5.4870 9.8523 9.8523 11.6106 11.6106 12.5742 12.5742 14.8614 14.8614 19.0575 19.0575 19.7291 19.7291 19.9309 19.9309 20.3197 20.3197 k = 0.1343 0.2327 0.4511 ( 1130 PWs) bands (ev): -44.9929 -44.9929 -19.3822 -19.3822 -11.9770 -11.9770 -11.5360 -11.5360 5.4641 5.4641 9.7473 9.7473 11.7532 11.7532 12.6624 12.6624 14.9578 14.9578 18.9739 18.9739 19.6238 19.6238 19.8369 19.8369 20.1834 20.1834 k = 0.1294 0.2240 0.4511 ( 1132 PWs) bands (ev): -44.9943 -44.9943 -19.3783 -19.3783 -11.9740 -11.9740 -11.5227 -11.5227 5.4421 5.4421 9.6444 9.6444 11.8969 11.8969 12.7530 12.7530 15.0569 15.0569 18.8901 18.8901 19.5191 19.5191 19.7438 19.7438 20.0497 20.0497 k = 0.1244 0.2154 0.4511 ( 1132 PWs) bands (ev): -44.9956 -44.9956 -19.3745 -19.3745 -11.9711 -11.9711 -11.5093 -11.5093 5.4212 5.4212 9.5438 9.5438 12.0419 12.0419 12.8462 12.8462 15.1587 15.1587 18.8064 18.8064 19.4146 19.4146 19.6505 19.6505 19.9198 19.9198 k = 0.1194 0.2068 0.4511 ( 1128 PWs) bands (ev): -44.9969 -44.9969 -19.3706 -19.3706 -11.9683 -11.9683 -11.4960 -11.4960 5.4013 5.4013 9.4458 9.4458 12.1878 12.1878 12.9417 12.9417 15.2629 15.2629 18.7232 18.7232 19.3098 19.3098 19.5553 19.5553 19.7960 19.7960 k = 0.1144 0.1982 0.4511 ( 1132 PWs) bands (ev): -44.9982 -44.9982 -19.3669 -19.3669 -11.9657 -11.9657 -11.4827 -11.4827 5.3823 5.3823 9.3504 9.3504 12.3347 12.3347 13.0395 13.0395 15.3695 15.3695 18.6406 18.6406 19.2041 19.2041 19.4554 19.4554 19.6811 19.6811 k = 0.1095 0.1896 0.4511 ( 1132 PWs) bands (ev): -44.9994 -44.9994 -19.3633 -19.3633 -11.9633 -11.9633 -11.4695 -11.4695 5.3643 5.3643 9.2578 9.2578 12.4826 12.4826 13.1396 13.1396 15.4784 15.4784 18.5592 18.5592 19.0972 19.0972 19.3483 19.3483 19.5783 19.5783 k = 0.1045 0.1810 0.4511 ( 1128 PWs) bands (ev): -45.0007 -45.0007 -19.3596 -19.3596 -11.9608 -11.9608 -11.4564 -11.4564 5.3473 5.3473 9.1682 9.1682 12.6312 12.6312 13.2418 13.2418 15.5892 15.5892 18.4792 18.4792 18.9886 18.9886 19.2329 19.2329 19.4884 19.4884 k = 0.0995 0.1723 0.4511 ( 1128 PWs) bands (ev): -45.0019 -45.0019 -19.3561 -19.3561 -11.9586 -11.9586 -11.4435 -11.4435 5.3312 5.3312 9.0816 9.0816 12.7804 12.7804 13.3460 13.3460 15.7019 15.7019 18.4011 18.4011 18.8782 18.8782 19.1108 19.1108 19.4101 19.4101 k = 0.0945 0.1637 0.4511 ( 1124 PWs) bands (ev): -45.0030 -45.0030 -19.3527 -19.3527 -11.9566 -11.9566 -11.4307 -11.4307 5.3160 5.3160 8.9984 8.9984 12.9303 12.9303 13.4522 13.4522 15.8162 15.8162 18.3250 18.3250 18.7656 18.7656 18.9844 18.9844 19.3411 19.3411 k = 0.0896 0.1551 0.4511 ( 1124 PWs) bands (ev): -45.0041 -45.0041 -19.3494 -19.3494 -11.9546 -11.9546 -11.4183 -11.4183 5.3016 5.3016 8.9184 8.9184 13.0805 13.0805 13.5602 13.5602 15.9317 15.9317 18.2514 18.2514 18.6509 18.6509 18.8557 18.8557 19.2793 19.2793 k = 0.0846 0.1465 0.4511 ( 1120 PWs) bands (ev): -45.0052 -45.0052 -19.3462 -19.3462 -11.9528 -11.9528 -11.4062 -11.4062 5.2882 5.2882 8.8420 8.8420 13.2309 13.2309 13.6699 13.6699 16.0482 16.0482 18.1804 18.1804 18.5340 18.5340 18.7262 18.7262 19.2234 19.2234 k = 0.0796 0.1379 0.4511 ( 1124 PWs) bands (ev): -45.0062 -45.0062 -19.3433 -19.3433 -11.9512 -11.9512 -11.3946 -11.3946 5.2756 5.2756 8.7692 8.7692 13.3815 13.3815 13.7810 13.7810 16.1653 16.1653 18.1121 18.1121 18.4148 18.4148 18.5969 18.5969 19.1725 19.1725 k = 0.0746 0.1293 0.4511 ( 1120 PWs) bands (ev): -45.0072 -45.0072 -19.3403 -19.3403 -11.9496 -11.9496 -11.3833 -11.3833 5.2639 5.2639 8.7001 8.7001 13.5318 13.5318 13.8934 13.8934 16.2824 16.2824 18.0467 18.0467 18.2936 18.2936 18.4688 18.4688 19.1260 19.1260 k = 0.0697 0.1206 0.4511 ( 1122 PWs) bands (ev): -45.0082 -45.0082 -19.3377 -19.3377 -11.9482 -11.9482 -11.3725 -11.3725 5.2530 5.2530 8.6349 8.6349 13.6818 13.6818 14.0068 14.0068 16.3989 16.3989 17.9838 17.9838 18.1706 18.1706 18.3425 18.3425 19.0835 19.0835 k = 0.0647 0.1120 0.4511 ( 1126 PWs) bands (ev): -45.0091 -45.0091 -19.3352 -19.3352 -11.9470 -11.9470 -11.3623 -11.3623 5.2429 5.2429 8.5736 8.5736 13.8310 13.8310 14.1210 14.1210 16.5142 16.5142 17.9230 17.9230 18.0463 18.0463 18.2194 18.2194 19.0446 19.0446 k = 0.0597 0.1034 0.4511 ( 1130 PWs) bands (ev): -45.0099 -45.0099 -19.3329 -19.3329 -11.9459 -11.9459 -11.3526 -11.3526 5.2336 5.2336 8.5165 8.5165 13.9792 13.9792 14.2356 14.2356 16.6272 16.6272 17.8625 17.8625 17.9215 17.9215 18.1014 18.1014 19.0092 19.0092 k = 0.0547 0.0948 0.4511 ( 1130 PWs) bands (ev): -45.0107 -45.0107 -19.3307 -19.3307 -11.9449 -11.9449 -11.3435 -11.3435 5.2251 5.2251 8.4635 8.4635 14.1260 14.1260 14.3502 14.3502 16.7369 16.7369 17.7888 17.7888 17.8068 17.8068 17.9928 17.9928 18.9771 18.9771 k = 0.0498 0.0862 0.4511 ( 1138 PWs) bands (ev): -45.0114 -45.0114 -19.3288 -19.3288 -11.9441 -11.9441 -11.3352 -11.3352 5.2174 5.2174 8.4148 8.4148 14.2706 14.2706 14.4642 14.4642 16.8415 16.8415 17.6681 17.6681 17.7307 17.7307 17.9012 17.9012 18.9480 18.9480 k = 0.0448 0.0776 0.4511 ( 1146 PWs) bands (ev): -45.0121 -45.0121 -19.3271 -19.3271 -11.9434 -11.9434 -11.3275 -11.3275 5.2104 5.2104 8.3705 8.3705 14.4125 14.4125 14.5769 14.5769 16.9386 16.9386 17.5445 17.5445 17.6453 17.6453 17.8328 17.8328 18.9220 18.9220 k = 0.0398 0.0689 0.4511 ( 1146 PWs) bands (ev): -45.0127 -45.0127 -19.3254 -19.3254 -11.9426 -11.9426 -11.3204 -11.3204 5.2043 5.2043 8.3306 8.3306 14.5507 14.5507 14.6875 14.6875 17.0243 17.0243 17.4230 17.4230 17.5527 17.5527 17.7854 17.7854 18.8989 18.8989 k = 0.0348 0.0603 0.4511 ( 1146 PWs) bands (ev): -45.0132 -45.0132 -19.3239 -19.3239 -11.9420 -11.9420 -11.3141 -11.3141 5.1988 5.1988 8.2952 8.2952 14.6841 14.6841 14.7948 14.7948 17.0908 17.0908 17.3050 17.3050 17.4658 17.4658 17.7533 17.7533 18.8787 18.8787 k = 0.0299 0.0517 0.4511 ( 1146 PWs) bands (ev): -45.0137 -45.0137 -19.3226 -19.3226 -11.9415 -11.9415 -11.3085 -11.3085 5.1942 5.1942 8.2644 8.2644 14.8109 14.8109 14.8973 14.8973 17.1222 17.1222 17.1923 17.1923 17.4037 17.4037 17.7335 17.7335 18.8612 18.8612 k = 0.0249 0.0431 0.4511 ( 1142 PWs) bands (ev): -45.0140 -45.0140 -19.3214 -19.3214 -11.9410 -11.9410 -11.3037 -11.3037 5.1902 5.1902 8.2382 8.2382 14.9291 14.9291 14.9929 14.9929 17.0843 17.0843 17.1046 17.1046 17.3843 17.3843 17.7248 17.7248 18.8465 18.8465 k = 0.0199 0.0345 0.4511 ( 1146 PWs) bands (ev): -45.0144 -45.0144 -19.3206 -19.3206 -11.9406 -11.9406 -11.2999 -11.2999 5.1870 5.1870 8.2167 8.2167 15.0357 15.0357 15.0791 15.0791 16.9896 16.9896 17.0482 17.0482 17.3939 17.3939 17.7261 17.7261 18.8345 18.8345 k = 0.0149 0.0259 0.4511 ( 1146 PWs) bands (ev): -45.0146 -45.0146 -19.3199 -19.3199 -11.9404 -11.9404 -11.2968 -11.2968 5.1844 5.1844 8.2000 8.2000 15.1267 15.1267 15.1525 15.1525 16.9075 16.9075 16.9861 16.9861 17.4085 17.4085 17.7345 17.7345 18.8252 18.8252 k = 0.0100 0.0172 0.4511 ( 1142 PWs) bands (ev): -45.0148 -45.0148 -19.3193 -19.3193 -11.9401 -11.9401 -11.2945 -11.2945 5.1827 5.1827 8.1880 8.1880 15.1973 15.1973 15.2093 15.2093 16.8434 16.8434 16.9335 16.9335 17.4191 17.4191 17.7455 17.7455 18.8186 18.8186 k = 0.0050 0.0086 0.4511 ( 1142 PWs) bands (ev): -45.0149 -45.0149 -19.3190 -19.3190 -11.9400 -11.9400 -11.2932 -11.2932 5.1816 5.1816 8.1808 8.1808 15.2421 15.2421 15.2459 15.2459 16.8022 16.8022 16.8986 16.8986 17.4249 17.4249 17.7543 17.7543 18.8147 18.8147 k = 0.0000 0.0000 0.4511 ( 1142 PWs) bands (ev): -45.0149 -45.0149 -19.3189 -19.3189 -11.9400 -11.9400 -11.2928 -11.2928 5.1812 5.1812 8.1784 8.1784 15.2565 15.2565 15.2595 15.2595 16.7879 16.7879 16.8865 16.8865 17.4266 17.4266 17.7577 17.7577 18.8133 18.8133 k = 0.5000 0.2887 0.4511 ( 1124 PWs) bands (ev): -44.9656 -44.9656 -19.4643 -19.4643 -12.1254 -12.1254 -11.6971 -11.6971 6.1708 6.1708 8.9637 8.9637 11.5463 11.5463 11.8408 11.8408 13.8364 13.8364 20.3705 20.3705 20.7109 20.7109 22.7799 22.7799 23.7009 23.7009 k = 0.5000 0.2887 0.4413 ( 1126 PWs) bands (ev): -44.9656 -44.9656 -19.4643 -19.4643 -12.1253 -12.1253 -11.6971 -11.6971 6.1719 6.1719 8.9591 8.9591 11.5477 11.5477 11.8457 11.8457 13.8352 13.8352 20.2965 20.2965 20.7870 20.7870 22.7791 22.7791 23.6986 23.6986 k = 0.5000 0.2887 0.4315 ( 1126 PWs) bands (ev): -44.9656 -44.9656 -19.4642 -19.4642 -12.1250 -12.1250 -11.6970 -11.6970 6.1755 6.1755 8.9454 8.9454 11.5519 11.5519 11.8603 11.8603 13.8314 13.8314 20.1533 20.1533 20.9362 20.9362 22.7767 22.7767 23.6913 23.6913 k = 0.5000 0.2887 0.4217 ( 1126 PWs) bands (ev): -44.9657 -44.9657 -19.4640 -19.4640 -12.1245 -12.1245 -11.6968 -11.6968 6.1814 6.1814 8.9230 8.9230 11.5588 11.5588 11.8844 11.8844 13.8252 13.8252 19.9956 19.9956 21.1038 21.1038 22.7728 22.7728 23.6777 23.6777 k = 0.5000 0.2887 0.4119 ( 1126 PWs) bands (ev): -44.9657 -44.9657 -19.4638 -19.4638 -12.1237 -12.1237 -11.6965 -11.6965 6.1896 6.1896 8.8924 8.8924 11.5684 11.5684 11.9175 11.9175 13.8166 13.8166 19.8355 19.8355 21.2773 21.2773 22.7673 22.7673 23.6548 23.6548 k = 0.5000 0.2887 0.4021 ( 1126 PWs) bands (ev): -44.9658 -44.9658 -19.4634 -19.4634 -12.1228 -12.1228 -11.6961 -11.6961 6.2002 6.2002 8.8542 8.8542 11.5806 11.5806 11.9588 11.9588 13.8054 13.8054 19.6768 19.6768 21.4526 21.4526 22.7601 22.7601 23.6174 23.6174 k = 0.5000 0.2887 0.3923 ( 1128 PWs) bands (ev): -44.9659 -44.9659 -19.4631 -19.4631 -12.1217 -12.1217 -11.6956 -11.6956 6.2130 6.2130 8.8092 8.8092 11.5954 11.5954 12.0076 12.0076 13.7919 13.7919 19.5210 19.5210 21.6274 21.6274 22.7513 22.7513 23.5593 23.5593 k = 0.5000 0.2887 0.3825 ( 1128 PWs) bands (ev): -44.9660 -44.9660 -19.4626 -19.4626 -12.1204 -12.1204 -11.6951 -11.6951 6.2281 6.2281 8.7581 8.7581 11.6126 11.6126 12.0631 12.0631 13.7760 13.7760 19.3690 19.3690 21.8001 21.8001 22.7406 22.7406 23.4785 23.4785 k = 0.5000 0.2887 0.3727 ( 1128 PWs) bands (ev): -44.9661 -44.9661 -19.4621 -19.4621 -12.1190 -12.1190 -11.6944 -11.6944 6.2454 6.2454 8.7018 8.7018 11.6323 11.6323 12.1244 12.1244 13.7577 13.7577 19.2214 19.2214 21.9688 21.9688 22.7280 22.7280 23.3797 23.3797 k = 0.5000 0.2887 0.3629 ( 1130 PWs) bands (ev): -44.9662 -44.9662 -19.4616 -19.4616 -12.1174 -12.1174 -11.6936 -11.6936 6.2649 6.2649 8.6410 8.6410 11.6544 11.6544 12.1905 12.1905 13.7371 13.7371 19.0788 19.0788 22.1318 22.1318 22.7128 22.7128 23.2695 23.2695 k = 0.5000 0.2887 0.3531 ( 1130 PWs) bands (ev): -44.9664 -44.9664 -19.4609 -19.4609 -12.1156 -12.1156 -11.6927 -11.6927 6.2866 6.2866 8.5765 8.5765 11.6788 11.6788 12.2607 12.2607 13.7143 13.7143 18.9415 18.9415 22.2863 22.2863 22.6942 22.6942 23.1537 23.1537 k = 0.5000 0.2887 0.3433 ( 1130 PWs) bands (ev): -44.9665 -44.9665 -19.4603 -19.4603 -12.1137 -12.1137 -11.6917 -11.6917 6.3103 6.3103 8.5089 8.5089 11.7056 11.7056 12.3341 12.3341 13.6893 13.6893 18.8100 18.8100 22.4284 22.4284 22.6700 22.6700 23.0397 23.0397 k = 0.5000 0.2887 0.3335 ( 1130 PWs) bands (ev): -44.9667 -44.9667 -19.4595 -19.4595 -12.1117 -12.1117 -11.6906 -11.6906 6.3360 6.3360 8.4388 8.4388 11.7346 11.7346 12.4098 12.4098 13.6623 13.6623 18.6846 18.6846 22.5457 22.5457 22.6395 22.6395 22.9402 22.9402 k = 0.5000 0.2887 0.3237 ( 1126 PWs) bands (ev): -44.9669 -44.9669 -19.4586 -19.4586 -12.1096 -12.1096 -11.6893 -11.6893 6.3637 6.3637 8.3669 8.3669 11.7658 11.7658 12.4871 12.4871 13.6333 13.6333 18.5657 18.5657 22.5514 22.5514 22.6605 22.6605 22.8833 22.8833 k = 0.5000 0.2887 0.3138 ( 1126 PWs) bands (ev): -44.9671 -44.9671 -19.4578 -19.4578 -12.1074 -12.1074 -11.6880 -11.6880 6.3932 6.3932 8.2936 8.2936 11.7991 11.7991 12.5652 12.5652 13.6024 13.6024 18.4537 18.4537 22.4607 22.4607 22.6834 22.6834 22.9025 22.9025 k = 0.5000 0.2887 0.3040 ( 1126 PWs) bands (ev): -44.9673 -44.9673 -19.4569 -19.4569 -12.1051 -12.1051 -11.6865 -11.6865 6.4245 6.4245 8.2193 8.2193 11.8344 11.8344 12.6433 12.6433 13.5699 13.5699 18.3488 18.3488 22.3417 22.3417 22.6712 22.6712 22.9652 22.9652 k = 0.5000 0.2887 0.2942 ( 1122 PWs) bands (ev): -44.9675 -44.9675 -19.4559 -19.4559 -12.1028 -12.1028 -11.6848 -11.6848 6.4575 6.4575 8.1446 8.1446 11.8717 11.8717 12.7207 12.7207 13.5360 13.5360 18.2515 18.2515 22.2095 22.2095 22.6519 22.6519 23.0276 23.0276 k = 0.5000 0.2887 0.2844 ( 1124 PWs) bands (ev): -44.9677 -44.9677 -19.4550 -19.4550 -12.1005 -12.1005 -11.6831 -11.6831 6.4920 6.4920 8.0697 8.0697 11.9109 11.9109 12.7965 12.7965 13.5010 13.5010 18.1620 18.1620 22.0710 22.0710 22.6320 22.6320 23.0762 23.0762 k = 0.5000 0.2887 0.2746 ( 1120 PWs) bands (ev): -44.9679 -44.9679 -19.4539 -19.4539 -12.0981 -12.0981 -11.6812 -11.6812 6.5280 6.5280 7.9951 7.9951 11.9517 11.9517 12.8698 12.8698 13.4653 13.4653 18.0807 18.0807 21.9296 21.9296 22.6122 22.6122 23.1083 23.1083 k = 0.5000 0.2887 0.2648 ( 1114 PWs) bands (ev): -44.9681 -44.9681 -19.4528 -19.4528 -12.0957 -12.0957 -11.6791 -11.6791 6.5654 6.5654 7.9209 7.9209 11.9942 11.9942 12.9392 12.9392 13.4299 13.4299 18.0080 18.0080 21.7869 21.7869 22.5927 22.5927 23.1246 23.1246 k = 0.5000 0.2887 0.2550 ( 1114 PWs) bands (ev): -44.9683 -44.9683 -19.4518 -19.4518 -12.0934 -12.0934 -11.6770 -11.6770 6.6040 6.6040 7.8475 7.8475 12.0382 12.0382 13.0030 13.0030 13.3960 13.3960 17.9441 17.9441 21.6441 21.6441 22.5734 22.5734 23.1277 23.1277 k = 0.5000 0.2887 0.2452 ( 1114 PWs) bands (ev): -44.9686 -44.9686 -19.4507 -19.4507 -12.0911 -12.0911 -11.6748 -11.6748 6.6437 6.6437 7.7752 7.7752 12.0835 12.0835 13.0579 13.0579 13.3668 13.3668 17.8893 17.8893 21.5019 21.5019 22.5542 22.5542 23.1204 23.1204 k = 0.5000 0.2887 0.2354 ( 1114 PWs) bands (ev): -44.9688 -44.9688 -19.4497 -19.4497 -12.0888 -12.0888 -11.6725 -11.6725 6.6842 6.6842 7.7042 7.7042 12.1300 12.1300 13.0979 13.0979 13.3478 13.3478 17.8438 17.8438 21.3609 21.3609 22.5352 22.5352 23.1053 23.1053 k = 0.5000 0.2887 0.2256 ( 1116 PWs) bands (ev): -44.9690 -44.9690 -19.4487 -19.4487 -12.0867 -12.0867 -11.6701 -11.6701 6.7256 6.7256 7.6348 7.6348 12.1775 12.1775 13.1149 13.1149 13.3471 13.3471 17.8077 17.8077 21.2214 21.2214 22.5164 22.5164 23.0845 23.0845 k = 0.5000 0.2887 0.2158 ( 1116 PWs) bands (ev): -44.9693 -44.9693 -19.4477 -19.4477 -12.0846 -12.0846 -11.6676 -11.6676 6.7674 6.7674 7.5671 7.5671 12.2258 12.2258 13.1064 13.1064 13.3668 13.3668 17.7812 17.7812 21.0841 21.0841 22.4977 22.4977 23.0597 23.0597 k = 0.5000 0.2887 0.2060 ( 1108 PWs) bands (ev): -44.9695 -44.9695 -19.4465 -19.4465 -12.0824 -12.0824 -11.6649 -11.6649 6.8097 6.8097 7.5014 7.5014 12.2748 12.2748 13.0802 13.0802 13.3992 13.3992 17.7643 17.7643 20.9491 20.9491 22.4793 22.4793 23.0322 23.0322 k = 0.5000 0.2887 0.1962 ( 1114 PWs) bands (ev): -44.9697 -44.9697 -19.4456 -19.4456 -12.0806 -12.0806 -11.6623 -11.6623 6.8519 6.8519 7.4379 7.4379 12.3240 12.3240 13.0448 13.0448 13.4359 13.4359 17.7568 17.7568 20.8170 20.8170 22.4611 22.4611 23.0026 23.0026 k = 0.5000 0.2887 0.1863 ( 1114 PWs) bands (ev): -44.9699 -44.9699 -19.4446 -19.4446 -12.0788 -12.0788 -11.6596 -11.6596 6.8939 6.8939 7.3770 7.3770 12.3733 12.3733 13.0049 13.0049 13.4725 13.4725 17.7586 17.7586 20.6879 20.6879 22.4432 22.4432 22.9719 22.9719 k = 0.5000 0.2887 0.1765 ( 1114 PWs) bands (ev): -44.9702 -44.9702 -19.4436 -19.4436 -12.0770 -12.0770 -11.6569 -11.6569 6.9351 6.9351 7.3191 7.3191 12.4223 12.4223 12.9629 12.9629 13.5067 13.5067 17.7693 17.7693 20.5624 20.5624 22.4256 22.4256 22.9405 22.9405 k = 0.5000 0.2887 0.1667 ( 1110 PWs) bands (ev): -44.9704 -44.9704 -19.4425 -19.4425 -12.0753 -12.0753 -11.6541 -11.6541 6.9748 6.9748 7.2649 7.2649 12.4705 12.4705 12.9204 12.9204 13.5377 13.5377 17.7885 17.7885 20.4407 20.4407 22.4082 22.4082 22.9089 22.9089 k = 0.5000 0.2887 0.1569 ( 1110 PWs) bands (ev): -44.9706 -44.9706 -19.4416 -19.4416 -12.0738 -12.0738 -11.6514 -11.6514 7.0111 7.0111 7.2161 7.2161 12.5172 12.5172 12.8785 12.8785 13.5651 13.5651 17.8156 17.8156 20.3231 20.3231 22.3910 22.3910 22.8775 22.8775 k = 0.5000 0.2887 0.1471 ( 1116 PWs) bands (ev): -44.9708 -44.9708 -19.4408 -19.4408 -12.0724 -12.0724 -11.6488 -11.6488 7.0388 7.0388 7.1779 7.1779 12.5613 12.5613 12.8388 12.8388 13.5888 13.5888 17.8500 17.8500 20.2101 20.2101 22.3740 22.3740 22.8465 22.8465 k = 0.5000 0.2887 0.1373 ( 1116 PWs) bands (ev): -44.9710 -44.9710 -19.4400 -19.4400 -12.0711 -12.0711 -11.6462 -11.6462 7.0446 7.0446 7.1633 7.1633 12.6001 12.6001 12.8039 12.8039 13.6089 13.6089 17.8908 17.8908 20.1019 20.1019 22.3570 22.3570 22.8163 22.8163 k = 0.5000 0.2887 0.1275 ( 1116 PWs) bands (ev): -44.9712 -44.9712 -19.4392 -19.4392 -12.0699 -12.0699 -11.6436 -11.6436 7.0228 7.0228 7.1781 7.1781 12.6276 12.6276 12.7803 12.7803 13.6257 13.6257 17.9372 17.9372 19.9990 19.9990 22.3398 22.3398 22.7871 22.7871 k = 0.5000 0.2887 0.1177 ( 1116 PWs) bands (ev): -44.9714 -44.9714 -19.4384 -19.4384 -12.0688 -12.0688 -11.6411 -11.6411 6.9891 6.9891 7.2063 7.2063 12.6334 12.6334 12.7781 12.7781 13.6394 13.6394 17.9882 17.9882 19.9017 19.9017 22.3221 22.3221 22.7590 22.7590 k = 0.5000 0.2887 0.1079 ( 1112 PWs) bands (ev): -44.9715 -44.9715 -19.4376 -19.4376 -12.0677 -12.0677 -11.6386 -11.6386 6.9535 6.9535 7.2378 7.2378 12.6170 12.6170 12.7980 12.7980 13.6504 13.6504 18.0427 18.0427 19.8104 19.8104 22.3035 22.3035 22.7320 22.7320 k = 0.5000 0.2887 0.0981 ( 1116 PWs) bands (ev): -44.9717 -44.9717 -19.4370 -19.4370 -12.0669 -12.0669 -11.6364 -11.6364 6.9191 6.9191 7.2692 7.2692 12.5903 12.5903 12.8281 12.8281 13.6589 13.6589 18.0994 18.0994 19.7254 19.7254 22.2834 22.2834 22.7056 22.7056 k = 0.5000 0.2887 0.0883 ( 1116 PWs) bands (ev): -44.9718 -44.9718 -19.4364 -19.4364 -12.0661 -12.0661 -11.6343 -11.6343 6.8870 6.8870 7.2994 7.2994 12.5608 12.5608 12.8607 12.8607 13.6655 13.6655 18.1572 18.1572 19.6471 19.6471 22.2609 22.2609 22.6768 22.6768 k = 0.5000 0.2887 0.0785 ( 1116 PWs) bands (ev): -44.9720 -44.9720 -19.4358 -19.4358 -12.0654 -12.0654 -11.6324 -11.6324 6.8577 6.8577 7.3275 7.3275 12.5318 12.5318 12.8927 12.8927 13.6704 13.6704 18.2146 18.2146 19.5759 19.5759 22.2351 22.2351 22.6321 22.6321 k = 0.5000 0.2887 0.0687 ( 1104 PWs) bands (ev): -44.9720 -44.9720 -19.4350 -19.4350 -12.0646 -12.0646 -11.6304 -11.6304 6.8315 6.8315 7.3532 7.3532 12.5047 12.5047 12.9227 12.9227 13.6739 13.6739 18.2702 18.2702 19.5122 19.5122 22.2054 22.2054 22.5758 22.5758 k = 0.5000 0.2887 0.0588 ( 1104 PWs) bands (ev): -44.9721 -44.9721 -19.4346 -19.4346 -12.0640 -12.0640 -11.6288 -11.6288 6.8086 6.8086 7.3761 7.3761 12.4801 12.4801 12.9498 12.9498 13.6763 13.6763 18.3225 18.3225 19.4561 19.4561 22.1719 22.1719 22.5263 22.5263 k = 0.5000 0.2887 0.0490 ( 1104 PWs) bands (ev): -44.9722 -44.9722 -19.4342 -19.4342 -12.0636 -12.0636 -11.6275 -11.6275 6.7891 6.7891 7.3959 7.3959 12.4587 12.4587 12.9734 12.9734 13.6779 13.6779 18.3702 18.3702 19.4081 19.4081 22.1361 22.1361 22.4874 22.4874 k = 0.5000 0.2887 0.0392 ( 1112 PWs) bands (ev): -44.9723 -44.9723 -19.4341 -19.4341 -12.0634 -12.0634 -11.6265 -11.6265 6.7730 6.7730 7.4124 7.4124 12.4407 12.4407 12.9932 12.9932 13.6789 13.6789 18.4116 18.4116 19.3685 19.3685 22.1009 22.1009 22.4587 22.4587 k = 0.5000 0.2887 0.0294 ( 1112 PWs) bands (ev): -44.9724 -44.9724 -19.4339 -19.4339 -12.0631 -12.0631 -11.6256 -11.6256 6.7605 6.7605 7.4254 7.4254 12.4265 12.4265 13.0090 13.0090 13.6795 13.6795 18.4455 18.4455 19.3374 19.3374 22.0693 22.0693 22.4387 22.4387 k = 0.5000 0.2887 0.0196 ( 1112 PWs) bands (ev): -44.9724 -44.9724 -19.4337 -19.4337 -12.0629 -12.0629 -11.6250 -11.6250 6.7515 6.7515 7.4348 7.4348 12.4162 12.4162 13.0204 13.0204 13.6798 13.6798 18.4707 18.4707 19.3150 19.3150 22.0446 22.0446 22.4255 22.4255 k = 0.5000 0.2887 0.0098 ( 1116 PWs) bands (ev): -44.9725 -44.9725 -19.4337 -19.4337 -12.0629 -12.0629 -11.6247 -11.6247 6.7461 6.7461 7.4405 7.4405 12.4100 12.4100 13.0273 13.0273 13.6800 13.6800 18.4862 18.4862 19.3015 19.3015 22.0288 22.0288 22.4181 22.4181 k = 0.5000 0.2887-0.0000 ( 1114 PWs) bands (ev): -44.9725 -44.9725 -19.4336 -19.4336 -12.0628 -12.0628 -11.6245 -11.6245 6.7443 6.7443 7.4424 7.4424 12.4079 12.4079 13.0296 13.0296 13.6800 13.6800 18.4914 18.4914 19.2970 19.2970 22.0234 22.0234 22.4157 22.4157 k = 0.3333 0.5774-0.0000 ( 1128 PWs) bands (ev): -44.9662 -44.9662 -19.4511 -19.4511 -11.9863 -11.9863 -11.7997 -11.7997 8.0340 8.0340 8.3821 8.3821 8.7670 8.7670 13.8829 13.8829 13.9582 13.9582 18.1237 18.1237 18.2962 18.2962 19.9513 19.9513 25.8047 25.8047 k = 0.3333 0.5774 0.0098 ( 1122 PWs) bands (ev): -44.9662 -44.9662 -19.4510 -19.4510 -11.9861 -11.9861 -11.7999 -11.7999 8.0331 8.0331 8.3808 8.3808 8.7692 8.7692 13.8812 13.8812 13.9572 13.9572 18.1288 18.1288 18.3014 18.3014 19.9527 19.9527 25.7998 25.7998 k = 0.3333 0.5774 0.0196 ( 1128 PWs) bands (ev): -44.9662 -44.9662 -19.4512 -19.4512 -11.9859 -11.9859 -11.8007 -11.8007 8.0304 8.0304 8.3768 8.3768 8.7758 8.7758 13.8761 13.8761 13.9540 13.9540 18.1440 18.1440 18.3169 18.3169 19.9568 19.9568 25.7851 25.7851 k = 0.3333 0.5774 0.0294 ( 1134 PWs) bands (ev): -44.9662 -44.9662 -19.4515 -19.4515 -11.9857 -11.9857 -11.8019 -11.8019 8.0258 8.0258 8.3702 8.3702 8.7869 8.7869 13.8677 13.8677 13.9489 13.9489 18.1692 18.1692 18.3426 18.3426 19.9636 19.9636 25.7612 25.7612 k = 0.3333 0.5774 0.0392 ( 1134 PWs) bands (ev): -44.9661 -44.9661 -19.4518 -19.4518 -11.9852 -11.9852 -11.8035 -11.8035 8.0196 8.0196 8.3611 8.3611 8.8022 8.8022 13.8562 13.8562 13.9418 13.9418 18.2043 18.2043 18.3784 18.3784 19.9732 19.9732 25.7287 25.7287 k = 0.3333 0.5774 0.0490 ( 1134 PWs) bands (ev): -44.9661 -44.9661 -19.4521 -19.4521 -11.9847 -11.9847 -11.8054 -11.8054 8.0116 8.0116 8.3494 8.3494 8.8219 8.8219 13.8418 13.8418 13.9330 13.9330 18.2490 18.2490 18.4239 18.4239 19.9855 19.9855 25.6884 25.6884 k = 0.3333 0.5774 0.0588 ( 1134 PWs) bands (ev): -44.9660 -44.9660 -19.4524 -19.4524 -11.9840 -11.9840 -11.8077 -11.8077 8.0021 8.0021 8.3353 8.3353 8.8457 8.8457 13.8247 13.8247 13.9225 13.9225 18.3031 18.3031 18.4789 18.4789 20.0004 20.0004 25.6414 25.6414 k = 0.3333 0.5774 0.0687 ( 1128 PWs) bands (ev): -44.9659 -44.9659 -19.4527 -19.4527 -11.9831 -11.9831 -11.8104 -11.8104 7.9911 7.9911 8.3189 8.3189 8.8736 8.8736 13.8052 13.8052 13.9108 13.9108 18.3662 18.3662 18.5429 18.5429 20.0181 20.0181 25.5885 25.5885 k = 0.3333 0.5774 0.0785 ( 1125 PWs) bands (ev): -44.9657 -44.9657 -19.4531 -19.4531 -11.9821 -11.9821 -11.8134 -11.8134 7.9785 7.9785 8.3002 8.3002 8.9055 8.9055 13.7837 13.7837 13.8978 13.8978 18.4380 18.4380 18.6156 18.6156 20.0385 20.0385 25.5306 25.5306 k = 0.3333 0.5774 0.0883 ( 1125 PWs) bands (ev): -44.9656 -44.9656 -19.4537 -19.4537 -11.9811 -11.9811 -11.8169 -11.8169 7.9647 7.9647 8.2793 8.2793 8.9412 8.9412 13.7604 13.7604 13.8839 13.8839 18.5181 18.5181 18.6966 18.6966 20.0615 20.0615 25.4685 25.4685 k = 0.3333 0.5774 0.0981 ( 1116 PWs) bands (ev): -44.9655 -44.9655 -19.4540 -19.4540 -11.9799 -11.9799 -11.8205 -11.8205 7.9495 7.9495 8.2565 8.2565 8.9807 8.9807 13.7357 13.7357 13.8692 13.8692 18.6061 18.6061 18.7853 18.7853 20.0871 20.0871 25.4030 25.4030 k = 0.3333 0.5774 0.1079 ( 1116 PWs) bands (ev): -44.9653 -44.9653 -19.4547 -19.4547 -11.9787 -11.9787 -11.8246 -11.8246 7.9332 7.9332 8.2318 8.2318 9.0238 9.0238 13.7099 13.7099 13.8540 13.8540 18.7016 18.7016 18.8814 18.8814 20.1153 20.1153 25.3345 25.3345 k = 0.3333 0.5774 0.1177 ( 1116 PWs) bands (ev): -44.9651 -44.9651 -19.4554 -19.4554 -11.9774 -11.9774 -11.8291 -11.8291 7.9158 7.9158 8.2054 8.2054 9.0703 9.0703 13.6832 13.6832 13.8384 13.8384 18.8042 18.8042 18.9844 18.9844 20.1461 20.1461 25.2631 25.2631 k = 0.3333 0.5774 0.1275 ( 1116 PWs) bands (ev): -44.9650 -44.9650 -19.4561 -19.4561 -11.9759 -11.9759 -11.8338 -11.8338 7.8974 7.8974 8.1775 8.1775 9.1202 9.1202 13.6560 13.6560 13.8228 13.8228 18.9135 18.9135 19.0938 19.0938 20.1795 20.1795 25.1884 25.1884 k = 0.3333 0.5774 0.1373 ( 1116 PWs) bands (ev): -44.9648 -44.9648 -19.4569 -19.4569 -11.9745 -11.9745 -11.8388 -11.8388 7.8781 7.8781 8.1481 8.1481 9.1733 9.1733 13.6285 13.6285 13.8071 13.8071 19.0291 19.0291 19.2092 19.2092 20.2155 20.2155 25.1080 25.1080 k = 0.3333 0.5774 0.1471 ( 1116 PWs) bands (ev): -44.9646 -44.9646 -19.4577 -19.4577 -11.9729 -11.9729 -11.8441 -11.8441 7.8580 7.8580 8.1176 8.1176 9.2293 9.2293 13.6010 13.6010 13.7915 13.7915 19.1506 19.1506 19.3300 19.3300 20.2540 20.2540 25.0136 25.0136 k = 0.3333 0.5774 0.1569 ( 1116 PWs) bands (ev): -44.9644 -44.9644 -19.4586 -19.4586 -11.9712 -11.9712 -11.8495 -11.8495 7.8372 7.8372 8.0859 8.0859 9.2881 9.2881 13.5737 13.5737 13.7763 13.7763 19.2776 19.2776 19.4558 19.4558 20.2951 20.2951 24.8859 24.8859 k = 0.3333 0.5774 0.1667 ( 1116 PWs) bands (ev): -44.9642 -44.9642 -19.4595 -19.4595 -11.9696 -11.9696 -11.8552 -11.8552 7.8158 7.8158 8.0534 8.0534 9.3496 9.3496 13.5467 13.5467 13.7615 13.7615 19.4097 19.4097 19.5859 19.5859 20.3388 20.3388 24.7226 24.7226 k = 0.3333 0.5774 0.1765 ( 1116 PWs) bands (ev): -44.9640 -44.9640 -19.4604 -19.4604 -11.9678 -11.9678 -11.8610 -11.8610 7.7939 7.7939 8.0201 8.0201 9.4136 9.4136 13.5203 13.5203 13.7471 13.7471 19.5465 19.5465 19.7199 19.7199 20.3853 20.3853 24.5442 24.5442 k = 0.3333 0.5774 0.1863 ( 1113 PWs) bands (ev): -44.9637 -44.9637 -19.4612 -19.4612 -11.9660 -11.9660 -11.8668 -11.8668 7.7716 7.7716 7.9864 7.9864 9.4797 9.4797 13.4946 13.4946 13.7333 13.7333 19.6878 19.6878 19.8570 19.8570 20.4349 20.4349 24.3619 24.3619 k = 0.3333 0.5774 0.1962 ( 1110 PWs) bands (ev): -44.9635 -44.9635 -19.4621 -19.4621 -11.9641 -11.9641 -11.8727 -11.8727 7.7490 7.7490 7.9522 7.9522 9.5478 9.5478 13.4698 13.4698 13.7201 13.7201 19.8331 19.8331 19.9960 19.9960 20.4880 20.4880 24.1795 24.1795 k = 0.3333 0.5774 0.2060 ( 1110 PWs) bands (ev): -44.9633 -44.9633 -19.4631 -19.4631 -11.9623 -11.9623 -11.8788 -11.8788 7.7261 7.7261 7.9178 7.9178 9.6177 9.6177 13.4458 13.4458 13.7076 13.7076 19.9820 19.9820 20.1354 20.1354 20.5460 20.5460 23.9988 23.9988 k = 0.3333 0.5774 0.2158 ( 1110 PWs) bands (ev): -44.9630 -44.9630 -19.4641 -19.4641 -11.9604 -11.9604 -11.8849 -11.8849 7.7032 7.7032 7.8834 7.8834 9.6890 9.6890 13.4229 13.4229 13.6957 13.6957 20.1343 20.1343 20.2723 20.2723 20.6109 20.6109 23.8205 23.8205 k = 0.3333 0.5774 0.2256 ( 1107 PWs) bands (ev): -44.9628 -44.9628 -19.4650 -19.4650 -11.9585 -11.9585 -11.8910 -11.8910 7.6803 7.6803 7.8491 7.8491 9.7615 9.7615 13.4011 13.4011 13.6846 13.6846 20.2896 20.2896 20.4018 20.4018 20.6873 20.6873 23.6454 23.6454 k = 0.3333 0.5774 0.2354 ( 1113 PWs) bands (ev): -44.9626 -44.9626 -19.4661 -19.4661 -11.9566 -11.9566 -11.8973 -11.8973 7.6575 7.6575 7.8151 7.8151 9.8349 9.8349 13.3804 13.3804 13.6741 13.6741 20.4475 20.4475 20.5167 20.5167 20.7817 20.7817 23.4739 23.4739 k = 0.3333 0.5774 0.2452 ( 1113 PWs) bands (ev): -44.9623 -44.9623 -19.4671 -19.4671 -11.9547 -11.9547 -11.9034 -11.9034 7.6349 7.6349 7.7815 7.7815 9.9089 9.9089 13.3609 13.3609 13.6644 13.6644 20.6077 20.6077 20.6123 20.6123 20.8982 20.8982 23.3068 23.3068 k = 0.3333 0.5774 0.2550 ( 1113 PWs) bands (ev): -44.9621 -44.9621 -19.4681 -19.4681 -11.9529 -11.9529 -11.9094 -11.9094 7.6126 7.6126 7.7485 7.7485 9.9832 9.9832 13.3426 13.3426 13.6553 13.6553 20.6914 20.6914 20.7698 20.7698 21.0335 21.0335 23.1443 23.1443 k = 0.3333 0.5774 0.2648 ( 1113 PWs) bands (ev): -44.9619 -44.9619 -19.4690 -19.4690 -11.9510 -11.9510 -11.9153 -11.9153 7.5908 7.5908 7.7162 7.7162 10.0574 10.0574 13.3256 13.3256 13.6470 13.6470 20.7598 20.7598 20.9335 20.9335 21.1806 21.1806 22.9872 22.9872 k = 0.3333 0.5774 0.2746 ( 1125 PWs) bands (ev): -44.9617 -44.9617 -19.4703 -19.4703 -11.9495 -11.9495 -11.9212 -11.9212 7.5694 7.5694 7.6847 7.6847 10.1311 10.1311 13.3098 13.3098 13.6393 13.6393 20.8219 20.8219 21.0984 21.0984 21.3346 21.3346 22.8359 22.8359 k = 0.3333 0.5774 0.2844 ( 1131 PWs) bands (ev): -44.9615 -44.9615 -19.4713 -19.4713 -11.9478 -11.9478 -11.9269 -11.9269 7.5486 7.5486 7.6542 7.6542 10.2041 10.2041 13.2953 13.2953 13.6322 13.6322 20.8796 20.8796 21.2641 21.2641 21.4925 21.4925 22.6913 22.6913 k = 0.3333 0.5774 0.2942 ( 1131 PWs) bands (ev): -44.9613 -44.9613 -19.4722 -19.4722 -11.9461 -11.9461 -11.9324 -11.9324 7.5286 7.5286 7.6248 7.6248 10.2758 10.2758 13.2820 13.2820 13.6258 13.6258 20.9336 20.9336 21.4301 21.4301 21.6523 21.6523 22.5542 22.5542 k = 0.3333 0.5774 0.3040 ( 1125 PWs) bands (ev): -44.9611 -44.9611 -19.4730 -19.4730 -11.9443 -11.9443 -11.9376 -11.9376 7.5093 7.5093 7.5967 7.5967 10.3460 10.3460 13.2700 13.2700 13.6199 13.6199 20.9837 20.9837 21.5961 21.5961 21.8126 21.8126 22.4258 22.4258 k = 0.3333 0.5774 0.3138 ( 1125 PWs) bands (ev): -44.9609 -44.9609 -19.4738 -19.4738 -11.9427 -11.9427 -11.9426 -11.9426 7.4908 7.4908 7.5698 7.5698 10.4142 10.4142 13.2592 13.2592 13.6147 13.6147 21.0294 21.0294 21.7614 21.7614 21.9713 21.9713 22.3081 22.3081 k = 0.3333 0.5774 0.3237 ( 1125 PWs) bands (ev): -44.9607 -44.9607 -19.4746 -19.4746 -11.9474 -11.9474 -11.9412 -11.9412 7.4733 7.4733 7.5444 7.5444 10.4799 10.4799 13.2495 13.2495 13.6099 13.6099 21.0695 21.0695 21.9256 21.9256 22.1146 22.1146 22.2154 22.2154 k = 0.3333 0.5774 0.3335 ( 1125 PWs) bands (ev): -44.9605 -44.9605 -19.4753 -19.4753 -11.9519 -11.9519 -11.9398 -11.9398 7.4568 7.4568 7.5205 7.5205 10.5429 10.5429 13.2409 13.2409 13.6056 13.6056 21.1028 21.1028 22.0879 22.0879 22.0879 22.0879 22.3030 22.3030 k = 0.3333 0.5774 0.3433 ( 1128 PWs) bands (ev): -44.9604 -44.9604 -19.4761 -19.4761 -11.9562 -11.9562 -11.9385 -11.9385 7.4413 7.4413 7.4982 7.4982 10.6027 10.6027 13.2334 13.2334 13.6018 13.6018 21.1274 21.1274 22.0090 22.0090 22.2477 22.2477 22.4534 22.4534 k = 0.3333 0.5774 0.3531 ( 1122 PWs) bands (ev): -44.9602 -44.9602 -19.4766 -19.4766 -11.9600 -11.9600 -11.9371 -11.9371 7.4270 7.4270 7.4775 7.4775 10.6588 10.6588 13.2270 13.2270 13.5985 13.5985 21.1420 21.1420 21.9427 21.9427 22.4041 22.4041 22.6024 22.6024 k = 0.3333 0.5774 0.3629 ( 1116 PWs) bands (ev): -44.9600 -44.9600 -19.4771 -19.4771 -11.9634 -11.9634 -11.9359 -11.9359 7.4138 7.4138 7.4587 7.4587 10.7110 10.7110 13.2214 13.2214 13.5956 13.5956 21.1454 21.1454 21.8922 21.8922 22.5560 22.5560 22.7461 22.7461 k = 0.3333 0.5774 0.3727 ( 1116 PWs) bands (ev): -44.9599 -44.9599 -19.4776 -19.4776 -11.9667 -11.9667 -11.9349 -11.9349 7.4019 7.4019 7.4416 7.4416 10.7588 10.7588 13.2167 13.2167 13.5930 13.5930 21.1379 21.1379 21.8576 21.8576 22.7022 22.7022 22.8819 22.8819 k = 0.3333 0.5774 0.3825 ( 1116 PWs) bands (ev): -44.9598 -44.9598 -19.4781 -19.4781 -11.9696 -11.9696 -11.9339 -11.9339 7.3913 7.3913 7.4264 7.4264 10.8019 10.8019 13.2128 13.2128 13.5908 13.5908 21.1214 21.1214 21.8373 21.8373 22.8413 22.8413 23.0071 23.0071 k = 0.3333 0.5774 0.3923 ( 1122 PWs) bands (ev): -44.9597 -44.9597 -19.4787 -19.4787 -11.9722 -11.9722 -11.9332 -11.9332 7.3820 7.3820 7.4131 7.4131 10.8399 10.8399 13.2097 13.2097 13.5889 13.5889 21.0991 21.0991 21.8280 21.8280 22.9714 22.9714 23.1189 23.1189 k = 0.3333 0.5774 0.4021 ( 1122 PWs) bands (ev): -44.9596 -44.9596 -19.4791 -19.4791 -11.9744 -11.9744 -11.9325 -11.9325 7.3741 7.3741 7.4018 7.4018 10.8726 10.8726 13.2071 13.2071 13.5874 13.5874 21.0742 21.0742 21.8262 21.8262 23.0904 23.0904 23.2144 23.2144 k = 0.3333 0.5774 0.4119 ( 1122 PWs) bands (ev): -44.9595 -44.9595 -19.4794 -19.4794 -11.9762 -11.9762 -11.9319 -11.9319 7.3676 7.3676 7.3925 7.3925 10.8997 10.8997 13.2052 13.2052 13.5862 13.5862 21.0501 21.0501 21.8288 21.8288 23.1957 23.1957 23.2911 23.2911 k = 0.3333 0.5774 0.4217 ( 1122 PWs) bands (ev): -44.9595 -44.9595 -19.4796 -19.4796 -11.9776 -11.9776 -11.9315 -11.9315 7.3625 7.3625 7.3852 7.3852 10.9210 10.9210 13.2038 13.2038 13.5852 13.5852 21.0291 21.0291 21.8332 21.8332 23.2840 23.2840 23.3484 23.3484 k = 0.3333 0.5774 0.4315 ( 1122 PWs) bands (ev): -44.9595 -44.9595 -19.4798 -19.4798 -11.9786 -11.9786 -11.9312 -11.9312 7.3588 7.3588 7.3800 7.3800 10.9363 10.9363 13.2028 13.2028 13.5846 13.5846 21.0129 21.0129 21.8375 21.8375 23.3516 23.3516 23.3871 23.3871 k = 0.3333 0.5774 0.4413 ( 1122 PWs) bands (ev): -44.9594 -44.9594 -19.4799 -19.4799 -11.9792 -11.9792 -11.9310 -11.9310 7.3566 7.3566 7.3769 7.3769 10.9456 10.9456 13.2022 13.2022 13.5842 13.5842 21.0028 21.0028 21.8405 21.8405 23.3945 23.3945 23.4091 23.4091 k = 0.3333 0.5774 0.4511 ( 1116 PWs) bands (ev): -44.9594 -44.9594 -19.4798 -19.4798 -11.9792 -11.9792 -11.9309 -11.9309 7.3559 7.3559 7.3758 7.3758 10.9487 10.9487 13.2020 13.2020 13.5840 13.5840 20.9994 20.9994 21.8416 21.8416 23.4093 23.4093 23.4163 23.4163 Writing output data file HfB2.save init_run : 0.10s CPU 0.28s WALL ( 1 calls) electrons : 40.65s CPU 41.81s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 40.65s CPU 41.80s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.01s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.02s WALL ( 465 calls) cegterg : 36.69s CPU 37.49s WALL ( 538 calls) Called by sum_band: Called by *egterg: h_psi : 16.87s CPU 17.55s WALL ( 7410 calls) s_psi : 0.83s CPU 0.72s WALL ( 7410 calls) g_psi : 0.06s CPU 0.04s WALL ( 6407 calls) cdiaghg : 19.09s CPU 19.46s WALL ( 6872 calls) cegterg:over : 1.19s CPU 1.16s WALL ( 6407 calls) cegterg:upda : 0.77s CPU 0.81s WALL ( 6407 calls) cegterg:last : 0.38s CPU 0.43s WALL ( 1370 calls) cdiaghg:chol : 0.89s CPU 0.98s WALL ( 6872 calls) cdiaghg:inve : 0.40s CPU 0.37s WALL ( 6872 calls) cdiaghg:para : 1.26s CPU 1.24s WALL ( 13744 calls) Called by h_psi: h_psi:vloc : 15.24s CPU 15.71s WALL ( 7410 calls) h_psi:vnl : 1.62s CPU 1.81s WALL ( 7410 calls) add_vuspsi : 0.81s CPU 0.93s WALL ( 7410 calls) General routines calbec : 0.78s CPU 0.86s WALL ( 7410 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 14.28s CPU 14.67s WALL ( 452748 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.07s CPU 0.09s WALL ( 930 calls) Parallel routines fft_scatter : 7.78s CPU 8.08s WALL ( 452771 calls) PWSCF : 0m48.54s CPU 1m 1.55s WALL This run was terminated on: 13:42:30 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=