Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:12:43 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: ./C.save/ 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 14 7 2 850 295 52 Max 15 8 3 861 314 63 Sum 511 253 85 30671 10827 2041 bravais-lattice index = 14 lattice parameter (alat) = 4.7661 a.u. unit-cell volume = 306.2147 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 1 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 4.766078 celldm(2)= 1.000000 celldm(3)= 3.265969 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 3.265969 ) 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 0.306188 ) PseudoPot. # 1 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 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 C 4.00 12.01070 C( 1.00) 24 Sym. Ops., with inversion, found (12 have fractional translation) 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 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.6329844 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.6329844 ) 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 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.6329844 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.6329844 ) 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 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.6329844 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.6329844 ) 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 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.6329844 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.6329844 ) 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 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.6329844 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.6329844 ) 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 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.6329844 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.6329844 ) 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) = ( 0.0069444 0.0040094 -0.0000000), wk = 0.0021505 k( 3) = ( 0.0138889 0.0080188 -0.0000000), wk = 0.0021505 k( 4) = ( 0.0208333 0.0120281 -0.0000000), wk = 0.0021505 k( 5) = ( 0.0277778 0.0160375 -0.0000000), wk = 0.0021505 k( 6) = ( 0.0347222 0.0200469 -0.0000000), wk = 0.0021505 k( 7) = ( 0.0416667 0.0240563 -0.0000000), wk = 0.0021505 k( 8) = ( 0.0486111 0.0280656 -0.0000000), wk = 0.0021505 k( 9) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0021505 k( 10) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0021505 k( 11) = ( 0.0694444 0.0400938 -0.0000000), wk = 0.0021505 k( 12) = ( 0.0763889 0.0441031 -0.0000000), wk = 0.0021505 k( 13) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0021505 k( 14) = ( 0.0902778 0.0521219 -0.0000000), wk = 0.0021505 k( 15) = ( 0.0972222 0.0561313 -0.0000000), wk = 0.0021505 k( 16) = ( 0.1041667 0.0601407 -0.0000000), wk = 0.0021505 k( 17) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0021505 k( 18) = ( 0.1180556 0.0681594 -0.0000000), wk = 0.0021505 k( 19) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0021505 k( 20) = ( 0.1319444 0.0761782 -0.0000000), wk = 0.0021505 k( 21) = ( 0.1388889 0.0801875 -0.0000000), wk = 0.0021505 k( 22) = ( 0.1458333 0.0841969 -0.0000000), wk = 0.0021505 k( 23) = ( 0.1527778 0.0882063 -0.0000000), wk = 0.0021505 k( 24) = ( 0.1597222 0.0922157 -0.0000000), wk = 0.0021505 k( 25) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0021505 k( 26) = ( 0.1736111 0.1002344 -0.0000000), wk = 0.0021505 k( 27) = ( 0.1805556 0.1042438 -0.0000000), wk = 0.0021505 k( 28) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0021505 k( 29) = ( 0.1944444 0.1122625 -0.0000000), wk = 0.0021505 k( 30) = ( 0.2013889 0.1162719 -0.0000000), wk = 0.0021505 k( 31) = ( 0.2083333 0.1202813 -0.0000000), wk = 0.0021505 k( 32) = ( 0.2152778 0.1242907 -0.0000000), wk = 0.0021505 k( 33) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0021505 k( 34) = ( 0.2291667 0.1323094 -0.0000000), wk = 0.0021505 k( 35) = ( 0.2361111 0.1363188 -0.0000000), wk = 0.0021505 k( 36) = ( 0.2430556 0.1403282 -0.0000000), wk = 0.0021505 k( 37) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0021505 k( 38) = ( 0.2569444 0.1483469 -0.0000000), wk = 0.0021505 k( 39) = ( 0.2638889 0.1523563 -0.0000000), wk = 0.0021505 k( 40) = ( 0.2708333 0.1563657 -0.0000000), wk = 0.0021505 k( 41) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0021505 k( 42) = ( 0.2847222 0.1643845 -0.0000000), wk = 0.0021505 k( 43) = ( 0.2916667 0.1683938 -0.0000000), wk = 0.0021505 k( 44) = ( 0.2986111 0.1724032 -0.0000000), wk = 0.0021505 k( 45) = ( 0.3055556 0.1764126 -0.0000000), wk = 0.0021505 k( 46) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0021505 k( 47) = ( 0.3194444 0.1844313 -0.0000000), wk = 0.0021505 k( 48) = ( 0.3263889 0.1884407 -0.0000000), wk = 0.0021505 k( 49) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0021505 k( 50) = ( 0.3402778 0.1964595 -0.0000000), wk = 0.0021505 k( 51) = ( 0.3472222 0.2004688 -0.0000000), wk = 0.0021505 k( 52) = ( 0.3541667 0.2044782 -0.0000000), wk = 0.0021505 k( 53) = ( 0.3611111 0.2084876 -0.0000000), wk = 0.0021505 k( 54) = ( 0.3680556 0.2124970 -0.0000000), wk = 0.0021505 k( 55) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0021505 k( 56) = ( 0.3819444 0.2205157 -0.0000000), wk = 0.0021505 k( 57) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0021505 k( 58) = ( 0.3958333 0.2285345 -0.0000000), wk = 0.0021505 k( 59) = ( 0.4027778 0.2325439 -0.0000000), wk = 0.0021505 k( 60) = ( 0.4097222 0.2365532 -0.0000000), wk = 0.0021505 k( 61) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0021505 k( 62) = ( 0.4236111 0.2445720 -0.0000000), wk = 0.0021505 k( 63) = ( 0.4305556 0.2485814 -0.0000000), wk = 0.0021505 k( 64) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0021505 k( 65) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0021505 k( 66) = ( 0.4513889 0.2606095 -0.0000000), wk = 0.0021505 k( 67) = ( 0.4583333 0.2646189 -0.0000000), wk = 0.0021505 k( 68) = ( 0.4652778 0.2686283 -0.0000000), wk = 0.0021505 k( 69) = ( 0.4722222 0.2726376 -0.0000000), wk = 0.0021505 k( 70) = ( 0.4791667 0.2766470 -0.0000000), wk = 0.0021505 k( 71) = ( 0.4861111 0.2806564 -0.0000000), wk = 0.0021505 k( 72) = ( 0.4930556 0.2846658 -0.0000000), wk = 0.0021505 k( 73) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0021505 k( 74) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0021505 k( 75) = ( 0.4960317 0.2955484 -0.0000000), wk = 0.0021505 k( 76) = ( 0.4920635 0.3024216 -0.0000000), wk = 0.0021505 k( 77) = ( 0.4880952 0.3092948 -0.0000000), wk = 0.0021505 k( 78) = ( 0.4841270 0.3161680 -0.0000000), wk = 0.0021505 k( 79) = ( 0.4801587 0.3230412 -0.0000000), wk = 0.0021505 k( 80) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0021505 k( 81) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0021505 k( 82) = ( 0.4682540 0.3436609 -0.0000000), wk = 0.0021505 k( 83) = ( 0.4642857 0.3505341 -0.0000000), wk = 0.0021505 k( 84) = ( 0.4603175 0.3574073 -0.0000000), wk = 0.0021505 k( 85) = ( 0.4563492 0.3642805 -0.0000000), wk = 0.0021505 k( 86) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0021505 k( 87) = ( 0.4484127 0.3780270 -0.0000000), wk = 0.0021505 k( 88) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0021505 k( 89) = ( 0.4404762 0.3917734 -0.0000000), wk = 0.0021505 k( 90) = ( 0.4365079 0.3986466 -0.0000000), wk = 0.0021505 k( 91) = ( 0.4325397 0.4055198 -0.0000000), wk = 0.0021505 k( 92) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0021505 k( 93) = ( 0.4246032 0.4192663 -0.0000000), wk = 0.0021505 k( 94) = ( 0.4206349 0.4261395 -0.0000000), wk = 0.0021505 k( 95) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0021505 k( 96) = ( 0.4126984 0.4398859 -0.0000000), wk = 0.0021505 k( 97) = ( 0.4087302 0.4467591 -0.0000000), wk = 0.0021505 k( 98) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0021505 k( 99) = ( 0.4007937 0.4605056 -0.0000000), wk = 0.0021505 k( 100) = ( 0.3968254 0.4673788 -0.0000000), wk = 0.0021505 k( 101) = ( 0.3928571 0.4742520 -0.0000000), wk = 0.0021505 k( 102) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0021505 k( 103) = ( 0.3849206 0.4879984 -0.0000000), wk = 0.0021505 k( 104) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0021505 k( 105) = ( 0.3769841 0.5017449 -0.0000000), wk = 0.0021505 k( 106) = ( 0.3730159 0.5086181 -0.0000000), wk = 0.0021505 k( 107) = ( 0.3690476 0.5154913 -0.0000000), wk = 0.0021505 k( 108) = ( 0.3650794 0.5223645 -0.0000000), wk = 0.0021505 k( 109) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0021505 k( 110) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0021505 k( 111) = ( 0.3531746 0.5429842 -0.0000000), wk = 0.0021505 k( 112) = ( 0.3492063 0.5498574 -0.0000000), wk = 0.0021505 k( 113) = ( 0.3452381 0.5567306 -0.0000000), wk = 0.0021505 k( 114) = ( 0.3412698 0.5636038 -0.0000000), wk = 0.0021505 k( 115) = ( 0.3373016 0.5704771 -0.0000000), wk = 0.0021505 k( 116) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0021505 k( 117) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0021505 k( 118) = ( 0.3293651 0.5704771 -0.0000000), wk = 0.0021505 k( 119) = ( 0.3253968 0.5636038 -0.0000000), wk = 0.0021505 k( 120) = ( 0.3214286 0.5567306 -0.0000000), wk = 0.0021505 k( 121) = ( 0.3174603 0.5498574 -0.0000000), wk = 0.0021505 k( 122) = ( 0.3134921 0.5429842 -0.0000000), wk = 0.0021505 k( 123) = ( 0.3095238 0.5361110 -0.0000000), wk = 0.0021505 k( 124) = ( 0.3055556 0.5292378 -0.0000000), wk = 0.0021505 k( 125) = ( 0.3015873 0.5223645 -0.0000000), wk = 0.0021505 k( 126) = ( 0.2976190 0.5154913 -0.0000000), wk = 0.0021505 k( 127) = ( 0.2936508 0.5086181 -0.0000000), wk = 0.0021505 k( 128) = ( 0.2896825 0.5017449 -0.0000000), wk = 0.0021505 k( 129) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0021505 k( 130) = ( 0.2817460 0.4879984 -0.0000000), wk = 0.0021505 k( 131) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0021505 k( 132) = ( 0.2738095 0.4742520 -0.0000000), wk = 0.0021505 k( 133) = ( 0.2698413 0.4673788 -0.0000000), wk = 0.0021505 k( 134) = ( 0.2658730 0.4605056 -0.0000000), wk = 0.0021505 k( 135) = ( 0.2619048 0.4536324 -0.0000000), wk = 0.0021505 k( 136) = ( 0.2579365 0.4467591 -0.0000000), wk = 0.0021505 k( 137) = ( 0.2539683 0.4398859 -0.0000000), wk = 0.0021505 k( 138) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0021505 k( 139) = ( 0.2460317 0.4261395 -0.0000000), wk = 0.0021505 k( 140) = ( 0.2420635 0.4192663 -0.0000000), wk = 0.0021505 k( 141) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0021505 k( 142) = ( 0.2341270 0.4055198 -0.0000000), wk = 0.0021505 k( 143) = ( 0.2301587 0.3986466 -0.0000000), wk = 0.0021505 k( 144) = ( 0.2261905 0.3917734 -0.0000000), wk = 0.0021505 k( 145) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0021505 k( 146) = ( 0.2182540 0.3780270 -0.0000000), wk = 0.0021505 k( 147) = ( 0.2142857 0.3711537 -0.0000000), wk = 0.0021505 k( 148) = ( 0.2103175 0.3642805 -0.0000000), wk = 0.0021505 k( 149) = ( 0.2063492 0.3574073 -0.0000000), wk = 0.0021505 k( 150) = ( 0.2023810 0.3505341 -0.0000000), wk = 0.0021505 k( 151) = ( 0.1984127 0.3436609 -0.0000000), wk = 0.0021505 k( 152) = ( 0.1944444 0.3367876 -0.0000000), wk = 0.0021505 k( 153) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0021505 k( 154) = ( 0.1865079 0.3230412 -0.0000000), wk = 0.0021505 k( 155) = ( 0.1825397 0.3161680 -0.0000000), wk = 0.0021505 k( 156) = ( 0.1785714 0.3092948 -0.0000000), wk = 0.0021505 k( 157) = ( 0.1746032 0.3024216 -0.0000000), wk = 0.0021505 k( 158) = ( 0.1706349 0.2955484 -0.0000000), wk = 0.0021505 k( 159) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0021505 k( 160) = ( 0.1626984 0.2818019 -0.0000000), wk = 0.0021505 k( 161) = ( 0.1587302 0.2749287 -0.0000000), wk = 0.0021505 k( 162) = ( 0.1547619 0.2680555 -0.0000000), wk = 0.0021505 k( 163) = ( 0.1507937 0.2611823 -0.0000000), wk = 0.0021505 k( 164) = ( 0.1468254 0.2543091 -0.0000000), wk = 0.0021505 k( 165) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0021505 k( 166) = ( 0.1388889 0.2405626 -0.0000000), wk = 0.0021505 k( 167) = ( 0.1349206 0.2336894 -0.0000000), wk = 0.0021505 k( 168) = ( 0.1309524 0.2268162 -0.0000000), wk = 0.0021505 k( 169) = ( 0.1269841 0.2199430 -0.0000000), wk = 0.0021505 k( 170) = ( 0.1230159 0.2130697 -0.0000000), wk = 0.0021505 k( 171) = ( 0.1190476 0.2061965 -0.0000000), wk = 0.0021505 k( 172) = ( 0.1150794 0.1993233 -0.0000000), wk = 0.0021505 k( 173) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0021505 k( 174) = ( 0.1071429 0.1855769 -0.0000000), wk = 0.0021505 k( 175) = ( 0.1031746 0.1787036 -0.0000000), wk = 0.0021505 k( 176) = ( 0.0992063 0.1718304 -0.0000000), wk = 0.0021505 k( 177) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0021505 k( 178) = ( 0.0912698 0.1580840 -0.0000000), wk = 0.0021505 k( 179) = ( 0.0873016 0.1512108 -0.0000000), wk = 0.0021505 k( 180) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0021505 k( 181) = ( 0.0793651 0.1374644 -0.0000000), wk = 0.0021505 k( 182) = ( 0.0753968 0.1305911 -0.0000000), wk = 0.0021505 k( 183) = ( 0.0714286 0.1237179 -0.0000000), wk = 0.0021505 k( 184) = ( 0.0674603 0.1168447 -0.0000000), wk = 0.0021505 k( 185) = ( 0.0634921 0.1099715 -0.0000000), wk = 0.0021505 k( 186) = ( 0.0595238 0.1030983 -0.0000000), wk = 0.0021505 k( 187) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0021505 k( 188) = ( 0.0515873 0.0893518 -0.0000000), wk = 0.0021505 k( 189) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0021505 k( 190) = ( 0.0436508 0.0756054 -0.0000000), wk = 0.0021505 k( 191) = ( 0.0396825 0.0687322 -0.0000000), wk = 0.0021505 k( 192) = ( 0.0357143 0.0618590 -0.0000000), wk = 0.0021505 k( 193) = ( 0.0317460 0.0549857 -0.0000000), wk = 0.0021505 k( 194) = ( 0.0277778 0.0481125 -0.0000000), wk = 0.0021505 k( 195) = ( 0.0238095 0.0412393 -0.0000000), wk = 0.0021505 k( 196) = ( 0.0198413 0.0343661 -0.0000000), wk = 0.0021505 k( 197) = ( 0.0158730 0.0274929 -0.0000000), wk = 0.0021505 k( 198) = ( 0.0119048 0.0206196 -0.0000000), wk = 0.0021505 k( 199) = ( 0.0079365 0.0137464 -0.0000000), wk = 0.0021505 k( 200) = ( 0.0039683 0.0068732 -0.0000000), wk = 0.0021505 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021505 k( 202) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021505 k( 203) = ( 0.0000000 0.0000000 0.0076547), wk = 0.0021505 k( 204) = ( 0.0000000 0.0000000 0.0153094), wk = 0.0021505 k( 205) = ( 0.0000000 0.0000000 0.0229641), wk = 0.0021505 k( 206) = ( 0.0000000 0.0000000 0.0306188), wk = 0.0021505 k( 207) = ( 0.0000000 0.0000000 0.0382735), wk = 0.0021505 k( 208) = ( 0.0000000 0.0000000 0.0459282), wk = 0.0021505 k( 209) = ( 0.0000000 0.0000000 0.0535829), wk = 0.0021505 k( 210) = ( 0.0000000 0.0000000 0.0612376), wk = 0.0021505 k( 211) = ( 0.0000000 0.0000000 0.0688923), wk = 0.0021505 k( 212) = ( 0.0000000 0.0000000 0.0765470), wk = 0.0021505 k( 213) = ( 0.0000000 0.0000000 0.0842017), wk = 0.0021505 k( 214) = ( 0.0000000 0.0000000 0.0918564), wk = 0.0021505 k( 215) = ( 0.0000000 0.0000000 0.0995111), wk = 0.0021505 k( 216) = ( 0.0000000 0.0000000 0.1071658), wk = 0.0021505 k( 217) = ( 0.0000000 0.0000000 0.1148204), wk = 0.0021505 k( 218) = ( 0.0000000 0.0000000 0.1224751), wk = 0.0021505 k( 219) = ( 0.0000000 0.0000000 0.1301298), wk = 0.0021505 k( 220) = ( 0.0000000 0.0000000 0.1377845), wk = 0.0021505 k( 221) = ( 0.0000000 0.0000000 0.1454392), wk = 0.0021505 k( 222) = ( 0.0000000 0.0000000 0.1530939), wk = 0.0021505 k( 223) = ( 0.0000000 0.0000000 0.1530939), wk = 0.0021505 k( 224) = ( 0.0069444 0.0040094 0.1530939), wk = 0.0021505 k( 225) = ( 0.0138889 0.0080188 0.1530939), wk = 0.0021505 k( 226) = ( 0.0208333 0.0120281 0.1530939), wk = 0.0021505 k( 227) = ( 0.0277778 0.0160375 0.1530939), wk = 0.0021505 k( 228) = ( 0.0347222 0.0200469 0.1530939), wk = 0.0021505 k( 229) = ( 0.0416667 0.0240563 0.1530939), wk = 0.0021505 k( 230) = ( 0.0486111 0.0280656 0.1530939), wk = 0.0021505 k( 231) = ( 0.0555556 0.0320750 0.1530939), wk = 0.0021505 k( 232) = ( 0.0625000 0.0360844 0.1530939), wk = 0.0021505 k( 233) = ( 0.0694444 0.0400938 0.1530939), wk = 0.0021505 k( 234) = ( 0.0763889 0.0441031 0.1530939), wk = 0.0021505 k( 235) = ( 0.0833333 0.0481125 0.1530939), wk = 0.0021505 k( 236) = ( 0.0902778 0.0521219 0.1530939), wk = 0.0021505 k( 237) = ( 0.0972222 0.0561313 0.1530939), wk = 0.0021505 k( 238) = ( 0.1041667 0.0601407 0.1530939), wk = 0.0021505 k( 239) = ( 0.1111111 0.0641500 0.1530939), wk = 0.0021505 k( 240) = ( 0.1180556 0.0681594 0.1530939), wk = 0.0021505 k( 241) = ( 0.1250000 0.0721688 0.1530939), wk = 0.0021505 k( 242) = ( 0.1319444 0.0761782 0.1530939), wk = 0.0021505 k( 243) = ( 0.1388889 0.0801875 0.1530939), wk = 0.0021505 k( 244) = ( 0.1458333 0.0841969 0.1530939), wk = 0.0021505 k( 245) = ( 0.1527778 0.0882063 0.1530939), wk = 0.0021505 k( 246) = ( 0.1597222 0.0922157 0.1530939), wk = 0.0021505 k( 247) = ( 0.1666667 0.0962250 0.1530939), wk = 0.0021505 k( 248) = ( 0.1736111 0.1002344 0.1530939), wk = 0.0021505 k( 249) = ( 0.1805556 0.1042438 0.1530939), wk = 0.0021505 k( 250) = ( 0.1875000 0.1082532 0.1530939), wk = 0.0021505 k( 251) = ( 0.1944444 0.1122625 0.1530939), wk = 0.0021505 k( 252) = ( 0.2013889 0.1162719 0.1530939), wk = 0.0021505 k( 253) = ( 0.2083333 0.1202813 0.1530939), wk = 0.0021505 k( 254) = ( 0.2152778 0.1242907 0.1530939), wk = 0.0021505 k( 255) = ( 0.2222222 0.1283001 0.1530939), wk = 0.0021505 k( 256) = ( 0.2291667 0.1323094 0.1530939), wk = 0.0021505 k( 257) = ( 0.2361111 0.1363188 0.1530939), wk = 0.0021505 k( 258) = ( 0.2430556 0.1403282 0.1530939), wk = 0.0021505 k( 259) = ( 0.2500000 0.1443376 0.1530939), wk = 0.0021505 k( 260) = ( 0.2569444 0.1483469 0.1530939), wk = 0.0021505 k( 261) = ( 0.2638889 0.1523563 0.1530939), wk = 0.0021505 k( 262) = ( 0.2708333 0.1563657 0.1530939), wk = 0.0021505 k( 263) = ( 0.2777778 0.1603751 0.1530939), wk = 0.0021505 k( 264) = ( 0.2847222 0.1643845 0.1530939), wk = 0.0021505 k( 265) = ( 0.2916667 0.1683938 0.1530939), wk = 0.0021505 k( 266) = ( 0.2986111 0.1724032 0.1530939), wk = 0.0021505 k( 267) = ( 0.3055556 0.1764126 0.1530939), wk = 0.0021505 k( 268) = ( 0.3125000 0.1804220 0.1530939), wk = 0.0021505 k( 269) = ( 0.3194444 0.1844313 0.1530939), wk = 0.0021505 k( 270) = ( 0.3263889 0.1884407 0.1530939), wk = 0.0021505 k( 271) = ( 0.3333333 0.1924501 0.1530939), wk = 0.0021505 k( 272) = ( 0.3402778 0.1964595 0.1530939), wk = 0.0021505 k( 273) = ( 0.3472222 0.2004688 0.1530939), wk = 0.0021505 k( 274) = ( 0.3541667 0.2044782 0.1530939), wk = 0.0021505 k( 275) = ( 0.3611111 0.2084876 0.1530939), wk = 0.0021505 k( 276) = ( 0.3680556 0.2124970 0.1530939), wk = 0.0021505 k( 277) = ( 0.3750000 0.2165064 0.1530939), wk = 0.0021505 k( 278) = ( 0.3819444 0.2205157 0.1530939), wk = 0.0021505 k( 279) = ( 0.3888889 0.2245251 0.1530939), wk = 0.0021505 k( 280) = ( 0.3958333 0.2285345 0.1530939), wk = 0.0021505 k( 281) = ( 0.4027778 0.2325439 0.1530939), wk = 0.0021505 k( 282) = ( 0.4097222 0.2365532 0.1530939), wk = 0.0021505 k( 283) = ( 0.4166667 0.2405626 0.1530939), wk = 0.0021505 k( 284) = ( 0.4236111 0.2445720 0.1530939), wk = 0.0021505 k( 285) = ( 0.4305556 0.2485814 0.1530939), wk = 0.0021505 k( 286) = ( 0.4375000 0.2525907 0.1530939), wk = 0.0021505 k( 287) = ( 0.4444444 0.2566001 0.1530939), wk = 0.0021505 k( 288) = ( 0.4513889 0.2606095 0.1530939), wk = 0.0021505 k( 289) = ( 0.4583333 0.2646189 0.1530939), wk = 0.0021505 k( 290) = ( 0.4652778 0.2686283 0.1530939), wk = 0.0021505 k( 291) = ( 0.4722222 0.2726376 0.1530939), wk = 0.0021505 k( 292) = ( 0.4791667 0.2766470 0.1530939), wk = 0.0021505 k( 293) = ( 0.4861111 0.2806564 0.1530939), wk = 0.0021505 k( 294) = ( 0.4930556 0.2846658 0.1530939), wk = 0.0021505 k( 295) = ( 0.5000000 0.2886751 0.1530939), wk = 0.0021505 k( 296) = ( 0.5000000 0.2886751 0.1530939), wk = 0.0021505 k( 297) = ( 0.4960317 0.2955484 0.1530939), wk = 0.0021505 k( 298) = ( 0.4920635 0.3024216 0.1530939), wk = 0.0021505 k( 299) = ( 0.4880952 0.3092948 0.1530939), wk = 0.0021505 k( 300) = ( 0.4841270 0.3161680 0.1530939), wk = 0.0021505 k( 301) = ( 0.4801587 0.3230412 0.1530939), wk = 0.0021505 k( 302) = ( 0.4761905 0.3299144 0.1530939), wk = 0.0021505 k( 303) = ( 0.4722222 0.3367877 0.1530939), wk = 0.0021505 k( 304) = ( 0.4682540 0.3436609 0.1530939), wk = 0.0021505 k( 305) = ( 0.4642857 0.3505341 0.1530939), wk = 0.0021505 k( 306) = ( 0.4603175 0.3574073 0.1530939), wk = 0.0021505 k( 307) = ( 0.4563492 0.3642805 0.1530939), wk = 0.0021505 k( 308) = ( 0.4523810 0.3711537 0.1530939), wk = 0.0021505 k( 309) = ( 0.4484127 0.3780270 0.1530939), wk = 0.0021505 k( 310) = ( 0.4444444 0.3849002 0.1530939), wk = 0.0021505 k( 311) = ( 0.4404762 0.3917734 0.1530939), wk = 0.0021505 k( 312) = ( 0.4365079 0.3986466 0.1530939), wk = 0.0021505 k( 313) = ( 0.4325397 0.4055198 0.1530939), wk = 0.0021505 k( 314) = ( 0.4285714 0.4123930 0.1530939), wk = 0.0021505 k( 315) = ( 0.4246032 0.4192663 0.1530939), wk = 0.0021505 k( 316) = ( 0.4206349 0.4261395 0.1530939), wk = 0.0021505 k( 317) = ( 0.4166667 0.4330127 0.1530939), wk = 0.0021505 k( 318) = ( 0.4126984 0.4398859 0.1530939), wk = 0.0021505 k( 319) = ( 0.4087302 0.4467591 0.1530939), wk = 0.0021505 k( 320) = ( 0.4047619 0.4536324 0.1530939), wk = 0.0021505 k( 321) = ( 0.4007937 0.4605056 0.1530939), wk = 0.0021505 k( 322) = ( 0.3968254 0.4673788 0.1530939), wk = 0.0021505 k( 323) = ( 0.3928571 0.4742520 0.1530939), wk = 0.0021505 k( 324) = ( 0.3888889 0.4811252 0.1530939), wk = 0.0021505 k( 325) = ( 0.3849206 0.4879984 0.1530939), wk = 0.0021505 k( 326) = ( 0.3809524 0.4948717 0.1530939), wk = 0.0021505 k( 327) = ( 0.3769841 0.5017449 0.1530939), wk = 0.0021505 k( 328) = ( 0.3730159 0.5086181 0.1530939), wk = 0.0021505 k( 329) = ( 0.3690476 0.5154913 0.1530939), wk = 0.0021505 k( 330) = ( 0.3650794 0.5223645 0.1530939), wk = 0.0021505 k( 331) = ( 0.3611111 0.5292377 0.1530939), wk = 0.0021505 k( 332) = ( 0.3571429 0.5361110 0.1530939), wk = 0.0021505 k( 333) = ( 0.3531746 0.5429842 0.1530939), wk = 0.0021505 k( 334) = ( 0.3492063 0.5498574 0.1530939), wk = 0.0021505 k( 335) = ( 0.3452381 0.5567306 0.1530939), wk = 0.0021505 k( 336) = ( 0.3412698 0.5636038 0.1530939), wk = 0.0021505 k( 337) = ( 0.3373016 0.5704771 0.1530939), wk = 0.0021505 k( 338) = ( 0.3333333 0.5773503 0.1530939), wk = 0.0021505 k( 339) = ( 0.3333333 0.5773503 0.1530939), wk = 0.0021505 k( 340) = ( 0.3293651 0.5704771 0.1530939), wk = 0.0021505 k( 341) = ( 0.3253968 0.5636038 0.1530939), wk = 0.0021505 k( 342) = ( 0.3214286 0.5567306 0.1530939), wk = 0.0021505 k( 343) = ( 0.3174603 0.5498574 0.1530939), wk = 0.0021505 k( 344) = ( 0.3134921 0.5429842 0.1530939), wk = 0.0021505 k( 345) = ( 0.3095238 0.5361110 0.1530939), wk = 0.0021505 k( 346) = ( 0.3055556 0.5292378 0.1530939), wk = 0.0021505 k( 347) = ( 0.3015873 0.5223645 0.1530939), wk = 0.0021505 k( 348) = ( 0.2976190 0.5154913 0.1530939), wk = 0.0021505 k( 349) = ( 0.2936508 0.5086181 0.1530939), wk = 0.0021505 k( 350) = ( 0.2896825 0.5017449 0.1530939), wk = 0.0021505 k( 351) = ( 0.2857143 0.4948717 0.1530939), wk = 0.0021505 k( 352) = ( 0.2817460 0.4879984 0.1530939), wk = 0.0021505 k( 353) = ( 0.2777778 0.4811252 0.1530939), wk = 0.0021505 k( 354) = ( 0.2738095 0.4742520 0.1530939), wk = 0.0021505 k( 355) = ( 0.2698413 0.4673788 0.1530939), wk = 0.0021505 k( 356) = ( 0.2658730 0.4605056 0.1530939), wk = 0.0021505 k( 357) = ( 0.2619048 0.4536324 0.1530939), wk = 0.0021505 k( 358) = ( 0.2579365 0.4467591 0.1530939), wk = 0.0021505 k( 359) = ( 0.2539683 0.4398859 0.1530939), wk = 0.0021505 k( 360) = ( 0.2500000 0.4330127 0.1530939), wk = 0.0021505 k( 361) = ( 0.2460317 0.4261395 0.1530939), wk = 0.0021505 k( 362) = ( 0.2420635 0.4192663 0.1530939), wk = 0.0021505 k( 363) = ( 0.2380952 0.4123931 0.1530939), wk = 0.0021505 k( 364) = ( 0.2341270 0.4055198 0.1530939), wk = 0.0021505 k( 365) = ( 0.2301587 0.3986466 0.1530939), wk = 0.0021505 k( 366) = ( 0.2261905 0.3917734 0.1530939), wk = 0.0021505 k( 367) = ( 0.2222222 0.3849002 0.1530939), wk = 0.0021505 k( 368) = ( 0.2182540 0.3780270 0.1530939), wk = 0.0021505 k( 369) = ( 0.2142857 0.3711537 0.1530939), wk = 0.0021505 k( 370) = ( 0.2103175 0.3642805 0.1530939), wk = 0.0021505 k( 371) = ( 0.2063492 0.3574073 0.1530939), wk = 0.0021505 k( 372) = ( 0.2023810 0.3505341 0.1530939), wk = 0.0021505 k( 373) = ( 0.1984127 0.3436609 0.1530939), wk = 0.0021505 k( 374) = ( 0.1944444 0.3367876 0.1530939), wk = 0.0021505 k( 375) = ( 0.1904762 0.3299144 0.1530939), wk = 0.0021505 k( 376) = ( 0.1865079 0.3230412 0.1530939), wk = 0.0021505 k( 377) = ( 0.1825397 0.3161680 0.1530939), wk = 0.0021505 k( 378) = ( 0.1785714 0.3092948 0.1530939), wk = 0.0021505 k( 379) = ( 0.1746032 0.3024216 0.1530939), wk = 0.0021505 k( 380) = ( 0.1706349 0.2955484 0.1530939), wk = 0.0021505 k( 381) = ( 0.1666667 0.2886751 0.1530939), wk = 0.0021505 k( 382) = ( 0.1626984 0.2818019 0.1530939), wk = 0.0021505 k( 383) = ( 0.1587302 0.2749287 0.1530939), wk = 0.0021505 k( 384) = ( 0.1547619 0.2680555 0.1530939), wk = 0.0021505 k( 385) = ( 0.1507937 0.2611823 0.1530939), wk = 0.0021505 k( 386) = ( 0.1468254 0.2543091 0.1530939), wk = 0.0021505 k( 387) = ( 0.1428571 0.2474358 0.1530939), wk = 0.0021505 k( 388) = ( 0.1388889 0.2405626 0.1530939), wk = 0.0021505 k( 389) = ( 0.1349206 0.2336894 0.1530939), wk = 0.0021505 k( 390) = ( 0.1309524 0.2268162 0.1530939), wk = 0.0021505 k( 391) = ( 0.1269841 0.2199430 0.1530939), wk = 0.0021505 k( 392) = ( 0.1230159 0.2130697 0.1530939), wk = 0.0021505 k( 393) = ( 0.1190476 0.2061965 0.1530939), wk = 0.0021505 k( 394) = ( 0.1150794 0.1993233 0.1530939), wk = 0.0021505 k( 395) = ( 0.1111111 0.1924501 0.1530939), wk = 0.0021505 k( 396) = ( 0.1071429 0.1855769 0.1530939), wk = 0.0021505 k( 397) = ( 0.1031746 0.1787036 0.1530939), wk = 0.0021505 k( 398) = ( 0.0992063 0.1718304 0.1530939), wk = 0.0021505 k( 399) = ( 0.0952381 0.1649572 0.1530939), wk = 0.0021505 k( 400) = ( 0.0912698 0.1580840 0.1530939), wk = 0.0021505 k( 401) = ( 0.0873016 0.1512108 0.1530939), wk = 0.0021505 k( 402) = ( 0.0833333 0.1443376 0.1530939), wk = 0.0021505 k( 403) = ( 0.0793651 0.1374644 0.1530939), wk = 0.0021505 k( 404) = ( 0.0753968 0.1305911 0.1530939), wk = 0.0021505 k( 405) = ( 0.0714286 0.1237179 0.1530939), wk = 0.0021505 k( 406) = ( 0.0674603 0.1168447 0.1530939), wk = 0.0021505 k( 407) = ( 0.0634921 0.1099715 0.1530939), wk = 0.0021505 k( 408) = ( 0.0595238 0.1030983 0.1530939), wk = 0.0021505 k( 409) = ( 0.0555556 0.0962251 0.1530939), wk = 0.0021505 k( 410) = ( 0.0515873 0.0893518 0.1530939), wk = 0.0021505 k( 411) = ( 0.0476191 0.0824786 0.1530939), wk = 0.0021505 k( 412) = ( 0.0436508 0.0756054 0.1530939), wk = 0.0021505 k( 413) = ( 0.0396825 0.0687322 0.1530939), wk = 0.0021505 k( 414) = ( 0.0357143 0.0618590 0.1530939), wk = 0.0021505 k( 415) = ( 0.0317460 0.0549857 0.1530939), wk = 0.0021505 k( 416) = ( 0.0277778 0.0481125 0.1530939), wk = 0.0021505 k( 417) = ( 0.0238095 0.0412393 0.1530939), wk = 0.0021505 k( 418) = ( 0.0198413 0.0343661 0.1530939), wk = 0.0021505 k( 419) = ( 0.0158730 0.0274929 0.1530939), wk = 0.0021505 k( 420) = ( 0.0119048 0.0206196 0.1530939), wk = 0.0021505 k( 421) = ( 0.0079365 0.0137464 0.1530939), wk = 0.0021505 k( 422) = ( 0.0039683 0.0068732 0.1530939), wk = 0.0021505 k( 423) = ( 0.0000000 0.0000000 0.1530939), wk = 0.0021505 k( 424) = ( 0.5000000 0.2886751 0.1530939), wk = 0.0021505 k( 425) = ( 0.5000000 0.2886751 0.1454392), wk = 0.0021505 k( 426) = ( 0.5000000 0.2886751 0.1377845), wk = 0.0021505 k( 427) = ( 0.5000000 0.2886751 0.1301298), wk = 0.0021505 k( 428) = ( 0.5000000 0.2886751 0.1224751), wk = 0.0021505 k( 429) = ( 0.5000000 0.2886751 0.1148204), wk = 0.0021505 k( 430) = ( 0.5000000 0.2886751 0.1071658), wk = 0.0021505 k( 431) = ( 0.5000000 0.2886751 0.0995111), wk = 0.0021505 k( 432) = ( 0.5000000 0.2886751 0.0918564), wk = 0.0021505 k( 433) = ( 0.5000000 0.2886751 0.0842017), wk = 0.0021505 k( 434) = ( 0.5000000 0.2886751 0.0765470), wk = 0.0021505 k( 435) = ( 0.5000000 0.2886751 0.0688923), wk = 0.0021505 k( 436) = ( 0.5000000 0.2886751 0.0612376), wk = 0.0021505 k( 437) = ( 0.5000000 0.2886751 0.0535829), wk = 0.0021505 k( 438) = ( 0.5000000 0.2886751 0.0459282), wk = 0.0021505 k( 439) = ( 0.5000000 0.2886751 0.0382735), wk = 0.0021505 k( 440) = ( 0.5000000 0.2886751 0.0306188), wk = 0.0021505 k( 441) = ( 0.5000000 0.2886751 0.0229641), wk = 0.0021505 k( 442) = ( 0.5000000 0.2886751 0.0153094), wk = 0.0021505 k( 443) = ( 0.5000000 0.2886751 0.0076547), wk = 0.0021505 k( 444) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0021505 k( 445) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0021505 k( 446) = ( 0.3333333 0.5773503 0.0076547), wk = 0.0021505 k( 447) = ( 0.3333333 0.5773503 0.0153094), wk = 0.0021505 k( 448) = ( 0.3333333 0.5773503 0.0229641), wk = 0.0021505 k( 449) = ( 0.3333333 0.5773503 0.0306188), wk = 0.0021505 k( 450) = ( 0.3333333 0.5773503 0.0382735), wk = 0.0021505 k( 451) = ( 0.3333333 0.5773503 0.0459282), wk = 0.0021505 k( 452) = ( 0.3333333 0.5773503 0.0535829), wk = 0.0021505 k( 453) = ( 0.3333333 0.5773503 0.0612376), wk = 0.0021505 k( 454) = ( 0.3333333 0.5773503 0.0688923), wk = 0.0021505 k( 455) = ( 0.3333333 0.5773503 0.0765470), wk = 0.0021505 k( 456) = ( 0.3333333 0.5773503 0.0842017), wk = 0.0021505 k( 457) = ( 0.3333333 0.5773503 0.0918564), wk = 0.0021505 k( 458) = ( 0.3333333 0.5773503 0.0995111), wk = 0.0021505 k( 459) = ( 0.3333333 0.5773503 0.1071658), wk = 0.0021505 k( 460) = ( 0.3333333 0.5773503 0.1148204), wk = 0.0021505 k( 461) = ( 0.3333333 0.5773503 0.1224751), wk = 0.0021505 k( 462) = ( 0.3333333 0.5773503 0.1301298), wk = 0.0021505 k( 463) = ( 0.3333333 0.5773503 0.1377845), wk = 0.0021505 k( 464) = ( 0.3333333 0.5773503 0.1454392), wk = 0.0021505 k( 465) = ( 0.3333333 0.5773503 0.1530939), wk = 0.0021505 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021505 k( 2) = ( 0.0069444 0.0000000 -0.0000000), wk = 0.0021505 k( 3) = ( 0.0138889 -0.0000000 -0.0000000), wk = 0.0021505 k( 4) = ( 0.0208333 -0.0000000 -0.0000000), wk = 0.0021505 k( 5) = ( 0.0277778 -0.0000000 -0.0000000), wk = 0.0021505 k( 6) = ( 0.0347222 -0.0000000 -0.0000000), wk = 0.0021505 k( 7) = ( 0.0416667 0.0000000 -0.0000000), wk = 0.0021505 k( 8) = ( 0.0486111 0.0000000 -0.0000000), wk = 0.0021505 k( 9) = ( 0.0555556 -0.0000000 -0.0000000), wk = 0.0021505 k( 10) = ( 0.0625000 0.0000000 -0.0000000), wk = 0.0021505 k( 11) = ( 0.0694444 -0.0000000 -0.0000000), wk = 0.0021505 k( 12) = ( 0.0763889 0.0000000 -0.0000000), wk = 0.0021505 k( 13) = ( 0.0833333 -0.0000000 0.0000000), wk = 0.0021505 k( 14) = ( 0.0902778 0.0000000 -0.0000000), wk = 0.0021505 k( 15) = ( 0.0972222 0.0000000 -0.0000000), wk = 0.0021505 k( 16) = ( 0.1041667 0.0000000 -0.0000000), wk = 0.0021505 k( 17) = ( 0.1111111 -0.0000000 -0.0000000), wk = 0.0021505 k( 18) = ( 0.1180556 0.0000000 -0.0000000), wk = 0.0021505 k( 19) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0021505 k( 20) = ( 0.1319444 -0.0000000 -0.0000000), wk = 0.0021505 k( 21) = ( 0.1388889 -0.0000000 -0.0000000), wk = 0.0021505 k( 22) = ( 0.1458333 0.0000000 -0.0000000), wk = 0.0021505 k( 23) = ( 0.1527778 0.0000000 -0.0000000), wk = 0.0021505 k( 24) = ( 0.1597222 -0.0000000 -0.0000000), wk = 0.0021505 k( 25) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0021505 k( 26) = ( 0.1736111 0.0000000 -0.0000000), wk = 0.0021505 k( 27) = ( 0.1805556 0.0000000 -0.0000000), wk = 0.0021505 k( 28) = ( 0.1875000 -0.0000000 -0.0000000), wk = 0.0021505 k( 29) = ( 0.1944444 0.0000000 -0.0000000), wk = 0.0021505 k( 30) = ( 0.2013889 0.0000000 -0.0000000), wk = 0.0021505 k( 31) = ( 0.2083333 0.0000000 -0.0000000), wk = 0.0021505 k( 32) = ( 0.2152778 -0.0000000 -0.0000000), wk = 0.0021505 k( 33) = ( 0.2222222 -0.0000000 -0.0000000), wk = 0.0021505 k( 34) = ( 0.2291667 0.0000000 -0.0000000), wk = 0.0021505 k( 35) = ( 0.2361111 -0.0000000 -0.0000000), wk = 0.0021505 k( 36) = ( 0.2430556 -0.0000000 -0.0000000), wk = 0.0021505 k( 37) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0021505 k( 38) = ( 0.2569444 0.0000000 -0.0000000), wk = 0.0021505 k( 39) = ( 0.2638889 0.0000000 -0.0000000), wk = 0.0021505 k( 40) = ( 0.2708333 0.0000000 -0.0000000), wk = 0.0021505 k( 41) = ( 0.2777778 -0.0000000 -0.0000000), wk = 0.0021505 k( 42) = ( 0.2847222 -0.0000000 -0.0000000), wk = 0.0021505 k( 43) = ( 0.2916667 -0.0000000 -0.0000000), wk = 0.0021505 k( 44) = ( 0.2986111 -0.0000000 -0.0000000), wk = 0.0021505 k( 45) = ( 0.3055556 0.0000000 -0.0000000), wk = 0.0021505 k( 46) = ( 0.3125000 -0.0000000 -0.0000000), wk = 0.0021505 k( 47) = ( 0.3194444 -0.0000000 -0.0000000), wk = 0.0021505 k( 48) = ( 0.3263889 -0.0000000 -0.0000000), wk = 0.0021505 k( 49) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0021505 k( 50) = ( 0.3402778 0.0000000 -0.0000000), wk = 0.0021505 k( 51) = ( 0.3472222 0.0000000 -0.0000000), wk = 0.0021505 k( 52) = ( 0.3541667 0.0000000 -0.0000000), wk = 0.0021505 k( 53) = ( 0.3611111 0.0000000 -0.0000000), wk = 0.0021505 k( 54) = ( 0.3680556 0.0000000 -0.0000000), wk = 0.0021505 k( 55) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0021505 k( 56) = ( 0.3819444 0.0000000 -0.0000000), wk = 0.0021505 k( 57) = ( 0.3888889 0.0000000 -0.0000000), wk = 0.0021505 k( 58) = ( 0.3958333 0.0000000 -0.0000000), wk = 0.0021505 k( 59) = ( 0.4027778 0.0000000 -0.0000000), wk = 0.0021505 k( 60) = ( 0.4097222 0.0000000 -0.0000000), wk = 0.0021505 k( 61) = ( 0.4166667 0.0000000 -0.0000000), wk = 0.0021505 k( 62) = ( 0.4236111 0.0000000 -0.0000000), wk = 0.0021505 k( 63) = ( 0.4305556 -0.0000000 -0.0000000), wk = 0.0021505 k( 64) = ( 0.4375000 0.0000000 -0.0000000), wk = 0.0021505 k( 65) = ( 0.4444444 -0.0000000 -0.0000000), wk = 0.0021505 k( 66) = ( 0.4513889 0.0000000 -0.0000000), wk = 0.0021505 k( 67) = ( 0.4583333 -0.0000000 -0.0000000), wk = 0.0021505 k( 68) = ( 0.4652778 -0.0000000 -0.0000000), wk = 0.0021505 k( 69) = ( 0.4722222 -0.0000000 -0.0000000), wk = 0.0021505 k( 70) = ( 0.4791667 -0.0000000 -0.0000000), wk = 0.0021505 k( 71) = ( 0.4861111 0.0000000 -0.0000000), wk = 0.0021505 k( 72) = ( 0.4930556 -0.0000000 -0.0000000), wk = 0.0021505 k( 73) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0021505 k( 74) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0021505 k( 75) = ( 0.4960317 0.0079365 -0.0000000), wk = 0.0021505 k( 76) = ( 0.4920635 0.0158730 -0.0000000), wk = 0.0021505 k( 77) = ( 0.4880952 0.0238095 -0.0000000), wk = 0.0021505 k( 78) = ( 0.4841270 0.0317460 -0.0000000), wk = 0.0021505 k( 79) = ( 0.4801587 0.0396825 -0.0000000), wk = 0.0021505 k( 80) = ( 0.4761905 0.0476190 -0.0000000), wk = 0.0021505 k( 81) = ( 0.4722222 0.0555556 -0.0000000), wk = 0.0021505 k( 82) = ( 0.4682540 0.0634921 -0.0000000), wk = 0.0021505 k( 83) = ( 0.4642857 0.0714286 -0.0000000), wk = 0.0021505 k( 84) = ( 0.4603175 0.0793651 -0.0000000), wk = 0.0021505 k( 85) = ( 0.4563492 0.0873016 -0.0000000), wk = 0.0021505 k( 86) = ( 0.4523810 0.0952381 -0.0000000), wk = 0.0021505 k( 87) = ( 0.4484127 0.1031746 -0.0000000), wk = 0.0021505 k( 88) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0021505 k( 89) = ( 0.4404762 0.1190476 -0.0000000), wk = 0.0021505 k( 90) = ( 0.4365079 0.1269841 -0.0000000), wk = 0.0021505 k( 91) = ( 0.4325397 0.1349206 -0.0000000), wk = 0.0021505 k( 92) = ( 0.4285714 0.1428571 0.0000000), wk = 0.0021505 k( 93) = ( 0.4246032 0.1507937 -0.0000000), wk = 0.0021505 k( 94) = ( 0.4206349 0.1587302 -0.0000000), wk = 0.0021505 k( 95) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0021505 k( 96) = ( 0.4126984 0.1746032 0.0000000), wk = 0.0021505 k( 97) = ( 0.4087302 0.1825397 -0.0000000), wk = 0.0021505 k( 98) = ( 0.4047619 0.1904762 0.0000000), wk = 0.0021505 k( 99) = ( 0.4007937 0.1984127 -0.0000000), wk = 0.0021505 k( 100) = ( 0.3968254 0.2063492 -0.0000000), wk = 0.0021505 k( 101) = ( 0.3928571 0.2142857 -0.0000000), wk = 0.0021505 k( 102) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0021505 k( 103) = ( 0.3849206 0.2301587 -0.0000000), wk = 0.0021505 k( 104) = ( 0.3809524 0.2380952 -0.0000000), wk = 0.0021505 k( 105) = ( 0.3769841 0.2460317 -0.0000000), wk = 0.0021505 k( 106) = ( 0.3730159 0.2539683 -0.0000000), wk = 0.0021505 k( 107) = ( 0.3690476 0.2619048 -0.0000000), wk = 0.0021505 k( 108) = ( 0.3650794 0.2698413 -0.0000000), wk = 0.0021505 k( 109) = ( 0.3611111 0.2777778 -0.0000000), wk = 0.0021505 k( 110) = ( 0.3571429 0.2857143 -0.0000000), wk = 0.0021505 k( 111) = ( 0.3531746 0.2936508 -0.0000000), wk = 0.0021505 k( 112) = ( 0.3492063 0.3015873 -0.0000000), wk = 0.0021505 k( 113) = ( 0.3452381 0.3095238 0.0000000), wk = 0.0021505 k( 114) = ( 0.3412698 0.3174603 -0.0000000), wk = 0.0021505 k( 115) = ( 0.3373016 0.3253968 -0.0000000), wk = 0.0021505 k( 116) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0021505 k( 117) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0021505 k( 118) = ( 0.3293651 0.3293651 0.0000000), wk = 0.0021505 k( 119) = ( 0.3253968 0.3253968 -0.0000000), wk = 0.0021505 k( 120) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0021505 k( 121) = ( 0.3174603 0.3174603 -0.0000000), wk = 0.0021505 k( 122) = ( 0.3134921 0.3134921 -0.0000000), wk = 0.0021505 k( 123) = ( 0.3095238 0.3095238 -0.0000000), wk = 0.0021505 k( 124) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0021505 k( 125) = ( 0.3015873 0.3015873 0.0000000), wk = 0.0021505 k( 126) = ( 0.2976190 0.2976190 -0.0000000), wk = 0.0021505 k( 127) = ( 0.2936508 0.2936508 0.0000000), wk = 0.0021505 k( 128) = ( 0.2896825 0.2896825 0.0000000), wk = 0.0021505 k( 129) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0021505 k( 130) = ( 0.2817460 0.2817460 0.0000000), wk = 0.0021505 k( 131) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0021505 k( 132) = ( 0.2738095 0.2738095 -0.0000000), wk = 0.0021505 k( 133) = ( 0.2698413 0.2698413 -0.0000000), wk = 0.0021505 k( 134) = ( 0.2658730 0.2658730 -0.0000000), wk = 0.0021505 k( 135) = ( 0.2619048 0.2619048 -0.0000000), wk = 0.0021505 k( 136) = ( 0.2579365 0.2579365 -0.0000000), wk = 0.0021505 k( 137) = ( 0.2539683 0.2539683 0.0000000), wk = 0.0021505 k( 138) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0021505 k( 139) = ( 0.2460317 0.2460317 -0.0000000), wk = 0.0021505 k( 140) = ( 0.2420635 0.2420635 -0.0000000), wk = 0.0021505 k( 141) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0021505 k( 142) = ( 0.2341270 0.2341270 0.0000000), wk = 0.0021505 k( 143) = ( 0.2301587 0.2301587 -0.0000000), wk = 0.0021505 k( 144) = ( 0.2261905 0.2261905 -0.0000000), wk = 0.0021505 k( 145) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0021505 k( 146) = ( 0.2182540 0.2182540 -0.0000000), wk = 0.0021505 k( 147) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0021505 k( 148) = ( 0.2103175 0.2103175 -0.0000000), wk = 0.0021505 k( 149) = ( 0.2063492 0.2063492 -0.0000000), wk = 0.0021505 k( 150) = ( 0.2023810 0.2023810 -0.0000000), wk = 0.0021505 k( 151) = ( 0.1984127 0.1984127 -0.0000000), wk = 0.0021505 k( 152) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0021505 k( 153) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0021505 k( 154) = ( 0.1865079 0.1865079 -0.0000000), wk = 0.0021505 k( 155) = ( 0.1825397 0.1825397 -0.0000000), wk = 0.0021505 k( 156) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0021505 k( 157) = ( 0.1746032 0.1746032 -0.0000000), wk = 0.0021505 k( 158) = ( 0.1706349 0.1706349 0.0000000), wk = 0.0021505 k( 159) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0021505 k( 160) = ( 0.1626984 0.1626984 -0.0000000), wk = 0.0021505 k( 161) = ( 0.1587302 0.1587302 -0.0000000), wk = 0.0021505 k( 162) = ( 0.1547619 0.1547619 -0.0000000), wk = 0.0021505 k( 163) = ( 0.1507937 0.1507937 0.0000000), wk = 0.0021505 k( 164) = ( 0.1468254 0.1468254 -0.0000000), wk = 0.0021505 k( 165) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0021505 k( 166) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0021505 k( 167) = ( 0.1349206 0.1349206 -0.0000000), wk = 0.0021505 k( 168) = ( 0.1309524 0.1309524 -0.0000000), wk = 0.0021505 k( 169) = ( 0.1269841 0.1269841 -0.0000000), wk = 0.0021505 k( 170) = ( 0.1230159 0.1230159 -0.0000000), wk = 0.0021505 k( 171) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0021505 k( 172) = ( 0.1150794 0.1150794 -0.0000000), wk = 0.0021505 k( 173) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0021505 k( 174) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0021505 k( 175) = ( 0.1031746 0.1031746 -0.0000000), wk = 0.0021505 k( 176) = ( 0.0992063 0.0992063 -0.0000000), wk = 0.0021505 k( 177) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0021505 k( 178) = ( 0.0912698 0.0912698 -0.0000000), wk = 0.0021505 k( 179) = ( 0.0873016 0.0873016 0.0000000), wk = 0.0021505 k( 180) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0021505 k( 181) = ( 0.0793651 0.0793651 -0.0000000), wk = 0.0021505 k( 182) = ( 0.0753968 0.0753968 -0.0000000), wk = 0.0021505 k( 183) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0021505 k( 184) = ( 0.0674603 0.0674603 0.0000000), wk = 0.0021505 k( 185) = ( 0.0634921 0.0634921 -0.0000000), wk = 0.0021505 k( 186) = ( 0.0595238 0.0595238 0.0000000), wk = 0.0021505 k( 187) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0021505 k( 188) = ( 0.0515873 0.0515873 -0.0000000), wk = 0.0021505 k( 189) = ( 0.0476191 0.0476191 -0.0000000), wk = 0.0021505 k( 190) = ( 0.0436508 0.0436508 0.0000000), wk = 0.0021505 k( 191) = ( 0.0396825 0.0396825 -0.0000000), wk = 0.0021505 k( 192) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0021505 k( 193) = ( 0.0317460 0.0317460 -0.0000000), wk = 0.0021505 k( 194) = ( 0.0277778 0.0277778 -0.0000000), wk = 0.0021505 k( 195) = ( 0.0238095 0.0238095 -0.0000000), wk = 0.0021505 k( 196) = ( 0.0198413 0.0198413 -0.0000000), wk = 0.0021505 k( 197) = ( 0.0158730 0.0158730 -0.0000000), wk = 0.0021505 k( 198) = ( 0.0119048 0.0119048 -0.0000000), wk = 0.0021505 k( 199) = ( 0.0079365 0.0079365 -0.0000000), wk = 0.0021505 k( 200) = ( 0.0039683 0.0039683 -0.0000000), wk = 0.0021505 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021505 k( 202) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021505 k( 203) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0021505 k( 204) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0021505 k( 205) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0021505 k( 206) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0021505 k( 207) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0021505 k( 208) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0021505 k( 209) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0021505 k( 210) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0021505 k( 211) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0021505 k( 212) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0021505 k( 213) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0021505 k( 214) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0021505 k( 215) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0021505 k( 216) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0021505 k( 217) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0021505 k( 218) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0021505 k( 219) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0021505 k( 220) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0021505 k( 221) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0021505 k( 222) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021505 k( 223) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021505 k( 224) = ( 0.0069444 0.0000000 0.5000000), wk = 0.0021505 k( 225) = ( 0.0138889 -0.0000000 0.5000000), wk = 0.0021505 k( 226) = ( 0.0208333 -0.0000000 0.5000000), wk = 0.0021505 k( 227) = ( 0.0277778 -0.0000000 0.5000000), wk = 0.0021505 k( 228) = ( 0.0347222 -0.0000000 0.5000000), wk = 0.0021505 k( 229) = ( 0.0416667 0.0000000 0.5000000), wk = 0.0021505 k( 230) = ( 0.0486111 0.0000000 0.5000000), wk = 0.0021505 k( 231) = ( 0.0555556 -0.0000000 0.5000000), wk = 0.0021505 k( 232) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0021505 k( 233) = ( 0.0694444 -0.0000000 0.5000000), wk = 0.0021505 k( 234) = ( 0.0763889 0.0000000 0.5000000), wk = 0.0021505 k( 235) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0021505 k( 236) = ( 0.0902778 0.0000000 0.5000000), wk = 0.0021505 k( 237) = ( 0.0972222 0.0000000 0.5000000), wk = 0.0021505 k( 238) = ( 0.1041667 0.0000000 0.5000000), wk = 0.0021505 k( 239) = ( 0.1111111 -0.0000000 0.5000000), wk = 0.0021505 k( 240) = ( 0.1180556 0.0000000 0.5000000), wk = 0.0021505 k( 241) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0021505 k( 242) = ( 0.1319444 -0.0000000 0.5000000), wk = 0.0021505 k( 243) = ( 0.1388889 -0.0000000 0.5000000), wk = 0.0021505 k( 244) = ( 0.1458333 0.0000000 0.5000000), wk = 0.0021505 k( 245) = ( 0.1527778 0.0000000 0.5000000), wk = 0.0021505 k( 246) = ( 0.1597222 -0.0000000 0.5000000), wk = 0.0021505 k( 247) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0021505 k( 248) = ( 0.1736111 0.0000000 0.5000000), wk = 0.0021505 k( 249) = ( 0.1805556 0.0000000 0.5000000), wk = 0.0021505 k( 250) = ( 0.1875000 -0.0000000 0.5000000), wk = 0.0021505 k( 251) = ( 0.1944444 0.0000000 0.5000000), wk = 0.0021505 k( 252) = ( 0.2013889 0.0000000 0.5000000), wk = 0.0021505 k( 253) = ( 0.2083333 0.0000000 0.5000000), wk = 0.0021505 k( 254) = ( 0.2152778 -0.0000000 0.5000000), wk = 0.0021505 k( 255) = ( 0.2222222 -0.0000000 0.5000000), wk = 0.0021505 k( 256) = ( 0.2291667 0.0000000 0.5000000), wk = 0.0021505 k( 257) = ( 0.2361111 -0.0000000 0.5000000), wk = 0.0021505 k( 258) = ( 0.2430556 -0.0000000 0.5000000), wk = 0.0021505 k( 259) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0021505 k( 260) = ( 0.2569444 0.0000000 0.5000000), wk = 0.0021505 k( 261) = ( 0.2638889 0.0000000 0.5000000), wk = 0.0021505 k( 262) = ( 0.2708333 0.0000000 0.5000000), wk = 0.0021505 k( 263) = ( 0.2777778 -0.0000000 0.5000000), wk = 0.0021505 k( 264) = ( 0.2847222 -0.0000000 0.5000000), wk = 0.0021505 k( 265) = ( 0.2916667 -0.0000000 0.5000000), wk = 0.0021505 k( 266) = ( 0.2986111 -0.0000000 0.5000000), wk = 0.0021505 k( 267) = ( 0.3055556 0.0000000 0.5000000), wk = 0.0021505 k( 268) = ( 0.3125000 -0.0000000 0.5000000), wk = 0.0021505 k( 269) = ( 0.3194444 -0.0000000 0.5000000), wk = 0.0021505 k( 270) = ( 0.3263889 -0.0000000 0.5000000), wk = 0.0021505 k( 271) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0021505 k( 272) = ( 0.3402778 0.0000000 0.5000000), wk = 0.0021505 k( 273) = ( 0.3472222 0.0000000 0.5000000), wk = 0.0021505 k( 274) = ( 0.3541667 0.0000000 0.5000000), wk = 0.0021505 k( 275) = ( 0.3611111 0.0000000 0.5000000), wk = 0.0021505 k( 276) = ( 0.3680556 0.0000000 0.5000000), wk = 0.0021505 k( 277) = ( 0.3750000 -0.0000000 0.5000000), wk = 0.0021505 k( 278) = ( 0.3819444 0.0000000 0.5000000), wk = 0.0021505 k( 279) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0021505 k( 280) = ( 0.3958333 0.0000000 0.5000000), wk = 0.0021505 k( 281) = ( 0.4027778 0.0000000 0.5000000), wk = 0.0021505 k( 282) = ( 0.4097222 0.0000000 0.5000000), wk = 0.0021505 k( 283) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0021505 k( 284) = ( 0.4236111 0.0000000 0.5000000), wk = 0.0021505 k( 285) = ( 0.4305556 -0.0000000 0.5000000), wk = 0.0021505 k( 286) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0021505 k( 287) = ( 0.4444444 -0.0000000 0.5000000), wk = 0.0021505 k( 288) = ( 0.4513889 0.0000000 0.5000000), wk = 0.0021505 k( 289) = ( 0.4583333 -0.0000000 0.5000000), wk = 0.0021505 k( 290) = ( 0.4652778 -0.0000000 0.5000000), wk = 0.0021505 k( 291) = ( 0.4722222 -0.0000000 0.5000000), wk = 0.0021505 k( 292) = ( 0.4791667 -0.0000000 0.5000000), wk = 0.0021505 k( 293) = ( 0.4861111 0.0000000 0.5000000), wk = 0.0021505 k( 294) = ( 0.4930556 -0.0000000 0.5000000), wk = 0.0021505 k( 295) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021505 k( 296) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021505 k( 297) = ( 0.4960317 0.0079365 0.5000000), wk = 0.0021505 k( 298) = ( 0.4920635 0.0158730 0.5000000), wk = 0.0021505 k( 299) = ( 0.4880952 0.0238095 0.5000000), wk = 0.0021505 k( 300) = ( 0.4841270 0.0317460 0.5000000), wk = 0.0021505 k( 301) = ( 0.4801587 0.0396825 0.5000000), wk = 0.0021505 k( 302) = ( 0.4761905 0.0476190 0.5000000), wk = 0.0021505 k( 303) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0021505 k( 304) = ( 0.4682540 0.0634921 0.5000000), wk = 0.0021505 k( 305) = ( 0.4642857 0.0714286 0.5000000), wk = 0.0021505 k( 306) = ( 0.4603175 0.0793651 0.5000000), wk = 0.0021505 k( 307) = ( 0.4563492 0.0873016 0.5000000), wk = 0.0021505 k( 308) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0021505 k( 309) = ( 0.4484127 0.1031746 0.5000000), wk = 0.0021505 k( 310) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0021505 k( 311) = ( 0.4404762 0.1190476 0.5000000), wk = 0.0021505 k( 312) = ( 0.4365079 0.1269841 0.5000000), wk = 0.0021505 k( 313) = ( 0.4325397 0.1349206 0.5000000), wk = 0.0021505 k( 314) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0021505 k( 315) = ( 0.4246032 0.1507937 0.5000000), wk = 0.0021505 k( 316) = ( 0.4206349 0.1587302 0.5000000), wk = 0.0021505 k( 317) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0021505 k( 318) = ( 0.4126984 0.1746032 0.5000000), wk = 0.0021505 k( 319) = ( 0.4087302 0.1825397 0.5000000), wk = 0.0021505 k( 320) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0021505 k( 321) = ( 0.4007937 0.1984127 0.5000000), wk = 0.0021505 k( 322) = ( 0.3968254 0.2063492 0.5000000), wk = 0.0021505 k( 323) = ( 0.3928571 0.2142857 0.5000000), wk = 0.0021505 k( 324) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0021505 k( 325) = ( 0.3849206 0.2301587 0.5000000), wk = 0.0021505 k( 326) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0021505 k( 327) = ( 0.3769841 0.2460317 0.5000000), wk = 0.0021505 k( 328) = ( 0.3730159 0.2539683 0.5000000), wk = 0.0021505 k( 329) = ( 0.3690476 0.2619048 0.5000000), wk = 0.0021505 k( 330) = ( 0.3650794 0.2698413 0.5000000), wk = 0.0021505 k( 331) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0021505 k( 332) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0021505 k( 333) = ( 0.3531746 0.2936508 0.5000000), wk = 0.0021505 k( 334) = ( 0.3492063 0.3015873 0.5000000), wk = 0.0021505 k( 335) = ( 0.3452381 0.3095238 0.5000000), wk = 0.0021505 k( 336) = ( 0.3412698 0.3174603 0.5000000), wk = 0.0021505 k( 337) = ( 0.3373016 0.3253968 0.5000000), wk = 0.0021505 k( 338) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0021505 k( 339) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0021505 k( 340) = ( 0.3293651 0.3293651 0.5000000), wk = 0.0021505 k( 341) = ( 0.3253968 0.3253968 0.5000000), wk = 0.0021505 k( 342) = ( 0.3214286 0.3214286 0.5000000), wk = 0.0021505 k( 343) = ( 0.3174603 0.3174603 0.5000000), wk = 0.0021505 k( 344) = ( 0.3134921 0.3134921 0.5000000), wk = 0.0021505 k( 345) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0021505 k( 346) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0021505 k( 347) = ( 0.3015873 0.3015873 0.5000000), wk = 0.0021505 k( 348) = ( 0.2976190 0.2976190 0.5000000), wk = 0.0021505 k( 349) = ( 0.2936508 0.2936508 0.5000000), wk = 0.0021505 k( 350) = ( 0.2896825 0.2896825 0.5000000), wk = 0.0021505 k( 351) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0021505 k( 352) = ( 0.2817460 0.2817460 0.5000000), wk = 0.0021505 k( 353) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0021505 k( 354) = ( 0.2738095 0.2738095 0.5000000), wk = 0.0021505 k( 355) = ( 0.2698413 0.2698413 0.5000000), wk = 0.0021505 k( 356) = ( 0.2658730 0.2658730 0.5000000), wk = 0.0021505 k( 357) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0021505 k( 358) = ( 0.2579365 0.2579365 0.5000000), wk = 0.0021505 k( 359) = ( 0.2539683 0.2539683 0.5000000), wk = 0.0021505 k( 360) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0021505 k( 361) = ( 0.2460317 0.2460317 0.5000000), wk = 0.0021505 k( 362) = ( 0.2420635 0.2420635 0.5000000), wk = 0.0021505 k( 363) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0021505 k( 364) = ( 0.2341270 0.2341270 0.5000000), wk = 0.0021505 k( 365) = ( 0.2301587 0.2301587 0.5000000), wk = 0.0021505 k( 366) = ( 0.2261905 0.2261905 0.5000000), wk = 0.0021505 k( 367) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0021505 k( 368) = ( 0.2182540 0.2182540 0.5000000), wk = 0.0021505 k( 369) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0021505 k( 370) = ( 0.2103175 0.2103175 0.5000000), wk = 0.0021505 k( 371) = ( 0.2063492 0.2063492 0.5000000), wk = 0.0021505 k( 372) = ( 0.2023810 0.2023810 0.5000000), wk = 0.0021505 k( 373) = ( 0.1984127 0.1984127 0.5000000), wk = 0.0021505 k( 374) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0021505 k( 375) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0021505 k( 376) = ( 0.1865079 0.1865079 0.5000000), wk = 0.0021505 k( 377) = ( 0.1825397 0.1825397 0.5000000), wk = 0.0021505 k( 378) = ( 0.1785714 0.1785714 0.5000000), wk = 0.0021505 k( 379) = ( 0.1746032 0.1746032 0.5000000), wk = 0.0021505 k( 380) = ( 0.1706349 0.1706349 0.5000000), wk = 0.0021505 k( 381) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0021505 k( 382) = ( 0.1626984 0.1626984 0.5000000), wk = 0.0021505 k( 383) = ( 0.1587302 0.1587302 0.5000000), wk = 0.0021505 k( 384) = ( 0.1547619 0.1547619 0.5000000), wk = 0.0021505 k( 385) = ( 0.1507937 0.1507937 0.5000000), wk = 0.0021505 k( 386) = ( 0.1468254 0.1468254 0.5000000), wk = 0.0021505 k( 387) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0021505 k( 388) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0021505 k( 389) = ( 0.1349206 0.1349206 0.5000000), wk = 0.0021505 k( 390) = ( 0.1309524 0.1309524 0.5000000), wk = 0.0021505 k( 391) = ( 0.1269841 0.1269841 0.5000000), wk = 0.0021505 k( 392) = ( 0.1230159 0.1230159 0.5000000), wk = 0.0021505 k( 393) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0021505 k( 394) = ( 0.1150794 0.1150794 0.5000000), wk = 0.0021505 k( 395) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0021505 k( 396) = ( 0.1071429 0.1071429 0.5000000), wk = 0.0021505 k( 397) = ( 0.1031746 0.1031746 0.5000000), wk = 0.0021505 k( 398) = ( 0.0992063 0.0992063 0.5000000), wk = 0.0021505 k( 399) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0021505 k( 400) = ( 0.0912698 0.0912698 0.5000000), wk = 0.0021505 k( 401) = ( 0.0873016 0.0873016 0.5000000), wk = 0.0021505 k( 402) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0021505 k( 403) = ( 0.0793651 0.0793651 0.5000000), wk = 0.0021505 k( 404) = ( 0.0753968 0.0753968 0.5000000), wk = 0.0021505 k( 405) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0021505 k( 406) = ( 0.0674603 0.0674603 0.5000000), wk = 0.0021505 k( 407) = ( 0.0634921 0.0634921 0.5000000), wk = 0.0021505 k( 408) = ( 0.0595238 0.0595238 0.5000000), wk = 0.0021505 k( 409) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0021505 k( 410) = ( 0.0515873 0.0515873 0.5000000), wk = 0.0021505 k( 411) = ( 0.0476191 0.0476191 0.5000000), wk = 0.0021505 k( 412) = ( 0.0436508 0.0436508 0.5000000), wk = 0.0021505 k( 413) = ( 0.0396825 0.0396825 0.5000000), wk = 0.0021505 k( 414) = ( 0.0357143 0.0357143 0.5000000), wk = 0.0021505 k( 415) = ( 0.0317460 0.0317460 0.5000000), wk = 0.0021505 k( 416) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0021505 k( 417) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0021505 k( 418) = ( 0.0198413 0.0198413 0.5000000), wk = 0.0021505 k( 419) = ( 0.0158730 0.0158730 0.5000000), wk = 0.0021505 k( 420) = ( 0.0119048 0.0119048 0.5000000), wk = 0.0021505 k( 421) = ( 0.0079365 0.0079365 0.5000000), wk = 0.0021505 k( 422) = ( 0.0039683 0.0039683 0.5000000), wk = 0.0021505 k( 423) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021505 k( 424) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021505 k( 425) = ( 0.5000000 0.0000000 0.4750000), wk = 0.0021505 k( 426) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0021505 k( 427) = ( 0.5000000 0.0000000 0.4250000), wk = 0.0021505 k( 428) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0021505 k( 429) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0021505 k( 430) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0021505 k( 431) = ( 0.5000000 0.0000000 0.3250000), wk = 0.0021505 k( 432) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0021505 k( 433) = ( 0.5000000 0.0000000 0.2750000), wk = 0.0021505 k( 434) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0021505 k( 435) = ( 0.5000000 0.0000000 0.2250000), wk = 0.0021505 k( 436) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0021505 k( 437) = ( 0.5000000 0.0000000 0.1750000), wk = 0.0021505 k( 438) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0021505 k( 439) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0021505 k( 440) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0021505 k( 441) = ( 0.5000000 0.0000000 0.0750000), wk = 0.0021505 k( 442) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0021505 k( 443) = ( 0.5000000 0.0000000 0.0250000), wk = 0.0021505 k( 444) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0021505 k( 445) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0021505 k( 446) = ( 0.3333333 0.3333333 0.0250000), wk = 0.0021505 k( 447) = ( 0.3333333 0.3333333 0.0500000), wk = 0.0021505 k( 448) = ( 0.3333333 0.3333333 0.0750000), wk = 0.0021505 k( 449) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0021505 k( 450) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0021505 k( 451) = ( 0.3333333 0.3333333 0.1500000), wk = 0.0021505 k( 452) = ( 0.3333333 0.3333333 0.1750000), wk = 0.0021505 k( 453) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0021505 k( 454) = ( 0.3333333 0.3333333 0.2250000), wk = 0.0021505 k( 455) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0021505 k( 456) = ( 0.3333333 0.3333333 0.2750000), wk = 0.0021505 k( 457) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0021505 k( 458) = ( 0.3333333 0.3333333 0.3250000), wk = 0.0021505 k( 459) = ( 0.3333333 0.3333333 0.3500000), wk = 0.0021505 k( 460) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0021505 k( 461) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0021505 k( 462) = ( 0.3333333 0.3333333 0.4250000), wk = 0.0021505 k( 463) = ( 0.3333333 0.3333333 0.4500000), wk = 0.0021505 k( 464) = ( 0.3333333 0.3333333 0.4750000), wk = 0.0021505 k( 465) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0021505 Dense grid: 30671 G-vectors FFT dimensions: ( 27, 27, 90) Smooth grid: 10827 G-vectors FFT dimensions: ( 20, 20, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 82, 40) NL pseudopotentials 0.07 Mb ( 41, 112) Each V/rho on FFT grid 0.03 Mb ( 2187) Each G-vector array 0.01 Mb ( 861) G-vector shells 0.00 Mb ( 404) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.20 Mb ( 82, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.14 Mb ( 112, 2, 40) Check: negative/imaginary core charge= -0.000015 0.000000 The potential is recalculated from file : ./C.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.0 secs Computing kpt #: 2 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1.8 secs Computing kpt #: 3 total cpu time spent up to now is 2.2 secs Computing kpt #: 4 total cpu time spent up to now is 2.6 secs Computing kpt #: 5 total cpu time spent up to now is 2.9 secs Computing kpt #: 6 total cpu time spent up to now is 3.2 secs Computing kpt #: 7 total cpu time spent up to now is 3.5 secs Computing kpt #: 8 total cpu time spent up to now is 3.7 secs Computing kpt #: 9 total cpu time spent up to now is 3.9 secs Computing kpt #: 10 total cpu time spent up to now is 4.1 secs Computing kpt #: 11 total cpu time spent up to now is 4.3 secs Computing kpt #: 12 total cpu time spent up to now is 4.5 secs Computing kpt #: 13 total cpu time spent up to now is 4.6 secs Computing kpt #: 14 total cpu time spent up to now is 4.8 secs Computing kpt #: 15 total cpu time spent up to now is 5.0 secs Computing kpt #: 16 total cpu time spent up to now is 5.2 secs Computing kpt #: 17 total cpu time spent up to now is 5.3 secs Computing kpt #: 18 total cpu time spent up to now is 5.5 secs Computing kpt #: 19 total cpu time spent up to now is 5.6 secs Computing kpt #: 20 total cpu time spent up to now is 5.8 secs Computing kpt #: 21 total cpu time spent up to now is 6.0 secs Computing kpt #: 22 total cpu time spent up to now is 6.1 secs Computing kpt #: 23 total cpu time spent up to now is 6.3 secs Computing kpt #: 24 total cpu time spent up to now is 6.5 secs Computing kpt #: 25 total cpu time spent up to now is 6.6 secs Computing kpt #: 26 total cpu time spent up to now is 6.8 secs Computing kpt #: 27 total cpu time spent up to now is 7.0 secs Computing kpt #: 28 total cpu time spent up to now is 7.1 secs Computing kpt #: 29 total cpu time spent up to now is 7.3 secs Computing kpt #: 30 total cpu time spent up to now is 7.5 secs Computing kpt #: 31 total cpu time spent up to now is 7.6 secs Computing kpt #: 32 total cpu time spent up to now is 7.8 secs Computing kpt #: 33 total cpu time spent up to now is 8.0 secs Computing kpt #: 34 total cpu time spent up to now is 8.1 secs Computing kpt #: 35 total cpu time spent up to now is 8.3 secs Computing kpt #: 36 total cpu time spent up to now is 8.5 secs Computing kpt #: 37 total cpu time spent up to now is 8.6 secs Computing kpt #: 38 total cpu time spent up to now is 8.8 secs Computing kpt #: 39 total cpu time spent up to now is 9.0 secs Computing kpt #: 40 total cpu time spent up to now is 9.2 secs Computing kpt #: 41 total cpu time spent up to now is 9.4 secs Computing kpt #: 42 total cpu time spent up to now is 9.6 secs Computing kpt #: 43 total cpu time spent up to now is 9.7 secs Computing kpt #: 44 total cpu time spent up to now is 9.9 secs Computing kpt #: 45 total cpu time spent up to now is 10.1 secs Computing kpt #: 46 total cpu time spent up to now is 10.3 secs Computing kpt #: 47 total cpu time spent up to now is 10.6 secs Computing kpt #: 48 total cpu time spent up to now is 10.9 secs Computing kpt #: 49 total cpu time spent up to now is 11.1 secs Computing kpt #: 50 total cpu time spent up to now is 11.3 secs Computing kpt #: 51 total cpu time spent up to now is 11.5 secs Computing kpt #: 52 total cpu time spent up to now is 11.7 secs Computing kpt #: 53 total cpu time spent up to now is 11.9 secs Computing kpt #: 54 total cpu time spent up to now is 12.1 secs Computing kpt #: 55 total cpu time spent up to now is 12.2 secs Computing kpt #: 56 total cpu time spent up to now is 12.4 secs Computing kpt #: 57 total cpu time spent up to now is 12.6 secs Computing kpt #: 58 total cpu time spent up to now is 12.8 secs Computing kpt #: 59 total cpu time spent up to now is 13.0 secs Computing kpt #: 60 total cpu time spent up to now is 13.1 secs Computing kpt #: 61 total cpu time spent up to now is 13.2 secs Computing kpt #: 62 total cpu time spent up to now is 13.4 secs Computing kpt #: 63 total cpu time spent up to now is 13.5 secs Computing kpt #: 64 total cpu time spent up to now is 13.7 secs Computing kpt #: 65 total cpu time spent up to now is 13.8 secs Computing kpt #: 66 total cpu time spent up to now is 14.0 secs Computing kpt #: 67 total cpu time spent up to now is 14.1 secs Computing kpt #: 68 total cpu time spent up to now is 14.3 secs Computing kpt #: 69 total cpu time spent up to now is 14.4 secs Computing kpt #: 70 total cpu time spent up to now is 14.6 secs Computing kpt #: 71 total cpu time spent up to now is 14.7 secs Computing kpt #: 72 total cpu time spent up to now is 15.0 secs Computing kpt #: 73 total cpu time spent up to now is 15.1 secs Computing kpt #: 74 total cpu time spent up to now is 15.3 secs Computing kpt #: 75 total cpu time spent up to now is 15.4 secs Computing kpt #: 76 total cpu time spent up to now is 15.6 secs Computing kpt #: 77 total cpu time spent up to now is 15.7 secs Computing kpt #: 78 total cpu time spent up to now is 15.9 secs Computing kpt #: 79 total cpu time spent up to now is 16.0 secs Computing kpt #: 80 total cpu time spent up to now is 16.2 secs Computing kpt #: 81 total cpu time spent up to now is 16.3 secs Computing kpt #: 82 total cpu time spent up to now is 16.5 secs Computing kpt #: 83 total cpu time spent up to now is 16.7 secs Computing kpt #: 84 total cpu time spent up to now is 16.9 secs Computing kpt #: 85 total cpu time spent up to now is 17.1 secs Computing kpt #: 86 total cpu time spent up to now is 17.3 secs Computing kpt #: 87 total cpu time spent up to now is 17.5 secs Computing kpt #: 88 total cpu time spent up to now is 17.7 secs Computing kpt #: 89 total cpu time spent up to now is 18.0 secs Computing kpt #: 90 total cpu time spent up to now is 18.2 secs Computing kpt #: 91 total cpu time spent up to now is 18.4 secs Computing kpt #: 92 total cpu time spent up to now is 18.6 secs Computing kpt #: 93 total cpu time spent up to now is 18.7 secs Computing kpt #: 94 total cpu time spent up to now is 18.9 secs Computing kpt #: 95 total cpu time spent up to now is 19.1 secs Computing kpt #: 96 total cpu time spent up to now is 19.2 secs Computing kpt #: 97 total cpu time spent up to now is 19.4 secs Computing kpt #: 98 total cpu time spent up to now is 19.6 secs Computing kpt #: 99 total cpu time spent up to now is 19.8 secs Computing kpt #: 100 total cpu time spent up to now is 20.1 secs Computing kpt #: 101 total cpu time spent up to now is 20.3 secs Computing kpt #: 102 total cpu time spent up to now is 20.6 secs Computing kpt #: 103 total cpu time spent up to now is 20.8 secs Computing kpt #: 104 total cpu time spent up to now is 21.0 secs Computing kpt #: 105 total cpu time spent up to now is 21.2 secs Computing kpt #: 106 total cpu time spent up to now is 21.4 secs Computing kpt #: 107 total cpu time spent up to now is 21.5 secs Computing kpt #: 108 total cpu time spent up to now is 21.7 secs Computing kpt #: 109 total cpu time spent up to now is 21.9 secs Computing kpt #: 110 total cpu time spent up to now is 22.0 secs Computing kpt #: 111 total cpu time spent up to now is 22.2 secs Computing kpt #: 112 total cpu time spent up to now is 22.4 secs Computing kpt #: 113 total cpu time spent up to now is 22.5 secs Computing kpt #: 114 total cpu time spent up to now is 22.7 secs Computing kpt #: 115 total cpu time spent up to now is 22.9 secs Computing kpt #: 116 total cpu time spent up to now is 23.1 secs Computing kpt #: 117 total cpu time spent up to now is 23.2 secs Computing kpt #: 118 total cpu time spent up to now is 23.4 secs Computing kpt #: 119 total cpu time spent up to now is 23.6 secs Computing kpt #: 120 total cpu time spent up to now is 23.7 secs Computing kpt #: 121 total cpu time spent up to now is 23.9 secs Computing kpt #: 122 total cpu time spent up to now is 24.0 secs Computing kpt #: 123 total cpu time spent up to now is 24.2 secs Computing kpt #: 124 total cpu time spent up to now is 24.3 secs Computing kpt #: 125 total cpu time spent up to now is 24.5 secs Computing kpt #: 126 total cpu time spent up to now is 24.6 secs Computing kpt #: 127 total cpu time spent up to now is 24.8 secs Computing kpt #: 128 total cpu time spent up to now is 24.9 secs Computing kpt #: 129 total cpu time spent up to now is 25.1 secs Computing kpt #: 130 total cpu time spent up to now is 25.3 secs Computing kpt #: 131 total cpu time spent up to now is 25.4 secs Computing kpt #: 132 total cpu time spent up to now is 25.6 secs Computing kpt #: 133 total cpu time spent up to now is 25.8 secs Computing kpt #: 134 total cpu time spent up to now is 25.9 secs Computing kpt #: 135 total cpu time spent up to now is 26.1 secs Computing kpt #: 136 total cpu time spent up to now is 26.3 secs Computing kpt #: 137 total cpu time spent up to now is 26.5 secs Computing kpt #: 138 total cpu time spent up to now is 26.7 secs Computing kpt #: 139 total cpu time spent up to now is 27.0 secs Computing kpt #: 140 total cpu time spent up to now is 27.2 secs Computing kpt #: 141 total cpu time spent up to now is 27.5 secs Computing kpt #: 142 total cpu time spent up to now is 28.0 secs Computing kpt #: 143 total cpu time spent up to now is 28.3 secs Computing kpt #: 144 total cpu time spent up to now is 28.5 secs Computing kpt #: 145 total cpu time spent up to now is 28.7 secs Computing kpt #: 146 total cpu time spent up to now is 28.8 secs Computing kpt #: 147 total cpu time spent up to now is 29.0 secs Computing kpt #: 148 total cpu time spent up to now is 29.2 secs Computing kpt #: 149 total cpu time spent up to now is 29.4 secs Computing kpt #: 150 total cpu time spent up to now is 29.5 secs Computing kpt #: 151 total cpu time spent up to now is 29.7 secs Computing kpt #: 152 total cpu time spent up to now is 29.9 secs Computing kpt #: 153 total cpu time spent up to now is 30.0 secs Computing kpt #: 154 total cpu time spent up to now is 30.2 secs Computing kpt #: 155 total cpu time spent up to now is 30.4 secs Computing kpt #: 156 total cpu time spent up to now is 30.6 secs Computing kpt #: 157 total cpu time spent up to now is 30.7 secs Computing kpt #: 158 total cpu time spent up to now is 30.9 secs Computing kpt #: 159 total cpu time spent up to now is 31.1 secs Computing kpt #: 160 total cpu time spent up to now is 31.2 secs Computing kpt #: 161 total cpu time spent up to now is 31.4 secs Computing kpt #: 162 total cpu time spent up to now is 31.6 secs Computing kpt #: 163 total cpu time spent up to now is 31.8 secs Computing kpt #: 164 total cpu time spent up to now is 32.0 secs Computing kpt #: 165 total cpu time spent up to now is 32.2 secs Computing kpt #: 166 total cpu time spent up to now is 32.5 secs Computing kpt #: 167 total cpu time spent up to now is 32.7 secs Computing kpt #: 168 total cpu time spent up to now is 33.0 secs Computing kpt #: 169 total cpu time spent up to now is 33.2 secs Computing kpt #: 170 total cpu time spent up to now is 33.4 secs Computing kpt #: 171 total cpu time spent up to now is 33.7 secs Computing kpt #: 172 total cpu time spent up to now is 33.9 secs Computing kpt #: 173 total cpu time spent up to now is 34.1 secs Computing kpt #: 174 total cpu time spent up to now is 34.4 secs Computing kpt #: 175 total cpu time spent up to now is 34.6 secs Computing kpt #: 176 total cpu time spent up to now is 34.8 secs Computing kpt #: 177 total cpu time spent up to now is 35.0 secs Computing kpt #: 178 total cpu time spent up to now is 35.1 secs Computing kpt #: 179 total cpu time spent up to now is 35.3 secs Computing kpt #: 180 total cpu time spent up to now is 35.5 secs Computing kpt #: 181 total cpu time spent up to now is 35.6 secs Computing kpt #: 182 total cpu time spent up to now is 35.8 secs Computing kpt #: 183 total cpu time spent up to now is 36.0 secs Computing kpt #: 184 total cpu time spent up to now is 36.2 secs Computing kpt #: 185 total cpu time spent up to now is 36.3 secs Computing kpt #: 186 total cpu time spent up to now is 36.5 secs Computing kpt #: 187 total cpu time spent up to now is 36.7 secs Computing kpt #: 188 total cpu time spent up to now is 36.9 secs Computing kpt #: 189 total cpu time spent up to now is 37.0 secs Computing kpt #: 190 total cpu time spent up to now is 37.2 secs Computing kpt #: 191 total cpu time spent up to now is 37.5 secs Computing kpt #: 192 total cpu time spent up to now is 37.7 secs Computing kpt #: 193 total cpu time spent up to now is 37.9 secs Computing kpt #: 194 total cpu time spent up to now is 38.1 secs Computing kpt #: 195 total cpu time spent up to now is 38.4 secs Computing kpt #: 196 total cpu time spent up to now is 38.7 secs Computing kpt #: 197 total cpu time spent up to now is 39.1 secs Computing kpt #: 198 total cpu time spent up to now is 39.5 secs Computing kpt #: 199 total cpu time spent up to now is 40.0 secs Computing kpt #: 200 total cpu time spent up to now is 40.4 secs Computing kpt #: 201 total cpu time spent up to now is 40.7 secs Computing kpt #: 202 total cpu time spent up to now is 41.3 secs Computing kpt #: 203 total cpu time spent up to now is 41.9 secs Computing kpt #: 204 total cpu time spent up to now is 42.5 secs Computing kpt #: 205 total cpu time spent up to now is 42.7 secs Computing kpt #: 206 total cpu time spent up to now is 43.1 secs Computing kpt #: 207 total cpu time spent up to now is 43.7 secs Computing kpt #: 208 total cpu time spent up to now is 44.1 secs Computing kpt #: 209 total cpu time spent up to now is 44.7 secs Computing kpt #: 210 total cpu time spent up to now is 45.0 secs Computing kpt #: 211 total cpu time spent up to now is 45.4 secs Computing kpt #: 212 total cpu time spent up to now is 45.9 secs Computing kpt #: 213 total cpu time spent up to now is 46.3 secs Computing kpt #: 214 total cpu time spent up to now is 46.8 secs Computing kpt #: 215 total cpu time spent up to now is 47.0 secs Computing kpt #: 216 total cpu time spent up to now is 47.2 secs Computing kpt #: 217 total cpu time spent up to now is 47.5 secs Computing kpt #: 218 total cpu time spent up to now is 47.7 secs Computing kpt #: 219 total cpu time spent up to now is 47.9 secs Computing kpt #: 220 total cpu time spent up to now is 48.1 secs Computing kpt #: 221 total cpu time spent up to now is 48.2 secs Computing kpt #: 222 total cpu time spent up to now is 48.4 secs Computing kpt #: 223 total cpu time spent up to now is 48.6 secs Computing kpt #: 224 total cpu time spent up to now is 48.7 secs Computing kpt #: 225 total cpu time spent up to now is 48.9 secs Computing kpt #: 226 total cpu time spent up to now is 49.1 secs Computing kpt #: 227 total cpu time spent up to now is 49.2 secs Computing kpt #: 228 total cpu time spent up to now is 49.4 secs Computing kpt #: 229 total cpu time spent up to now is 49.6 secs Computing kpt #: 230 total cpu time spent up to now is 49.7 secs Computing kpt #: 231 total cpu time spent up to now is 49.9 secs Computing kpt #: 232 total cpu time spent up to now is 50.1 secs Computing kpt #: 233 total cpu time spent up to now is 50.2 secs Computing kpt #: 234 total cpu time spent up to now is 50.4 secs Computing kpt #: 235 total cpu time spent up to now is 50.6 secs Computing kpt #: 236 total cpu time spent up to now is 50.7 secs Computing kpt #: 237 total cpu time spent up to now is 50.9 secs Computing kpt #: 238 total cpu time spent up to now is 51.1 secs Computing kpt #: 239 total cpu time spent up to now is 51.2 secs Computing kpt #: 240 total cpu time spent up to now is 51.4 secs Computing kpt #: 241 total cpu time spent up to now is 51.6 secs Computing kpt #: 242 total cpu time spent up to now is 51.7 secs Computing kpt #: 243 total cpu time spent up to now is 51.9 secs Computing kpt #: 244 total cpu time spent up to now is 52.1 secs Computing kpt #: 245 total cpu time spent up to now is 52.3 secs Computing kpt #: 246 total cpu time spent up to now is 52.5 secs Computing kpt #: 247 total cpu time spent up to now is 52.7 secs Computing kpt #: 248 total cpu time spent up to now is 52.9 secs Computing kpt #: 249 total cpu time spent up to now is 53.1 secs Computing kpt #: 250 total cpu time spent up to now is 53.4 secs Computing kpt #: 251 total cpu time spent up to now is 53.6 secs Computing kpt #: 252 total cpu time spent up to now is 53.8 secs Computing kpt #: 253 total cpu time spent up to now is 54.1 secs Computing kpt #: 254 total cpu time spent up to now is 54.3 secs Computing kpt #: 255 total cpu time spent up to now is 54.5 secs Computing kpt #: 256 total cpu time spent up to now is 54.7 secs Computing kpt #: 257 total cpu time spent up to now is 54.8 secs Computing kpt #: 258 total cpu time spent up to now is 55.0 secs Computing kpt #: 259 total cpu time spent up to now is 55.2 secs Computing kpt #: 260 total cpu time spent up to now is 55.4 secs Computing kpt #: 261 total cpu time spent up to now is 55.5 secs Computing kpt #: 262 total cpu time spent up to now is 55.7 secs Computing kpt #: 263 total cpu time spent up to now is 55.8 secs Computing kpt #: 264 total cpu time spent up to now is 56.0 secs Computing kpt #: 265 total cpu time spent up to now is 56.1 secs Computing kpt #: 266 total cpu time spent up to now is 56.3 secs Computing kpt #: 267 total cpu time spent up to now is 56.4 secs Computing kpt #: 268 total cpu time spent up to now is 56.6 secs Computing kpt #: 269 total cpu time spent up to now is 56.7 secs Computing kpt #: 270 total cpu time spent up to now is 56.9 secs Computing kpt #: 271 total cpu time spent up to now is 57.0 secs Computing kpt #: 272 total cpu time spent up to now is 57.2 secs Computing kpt #: 273 total cpu time spent up to now is 57.4 secs Computing kpt #: 274 total cpu time spent up to now is 57.5 secs Computing kpt #: 275 total cpu time spent up to now is 57.7 secs Computing kpt #: 276 total cpu time spent up to now is 57.8 secs Computing kpt #: 277 total cpu time spent up to now is 58.0 secs Computing kpt #: 278 total cpu time spent up to now is 58.2 secs Computing kpt #: 279 total cpu time spent up to now is 58.3 secs Computing kpt #: 280 total cpu time spent up to now is 58.5 secs Computing kpt #: 281 total cpu time spent up to now is 58.7 secs Computing kpt #: 282 total cpu time spent up to now is 58.8 secs Computing kpt #: 283 total cpu time spent up to now is 59.0 secs Computing kpt #: 284 total cpu time spent up to now is 59.2 secs Computing kpt #: 285 total cpu time spent up to now is 59.4 secs Computing kpt #: 286 total cpu time spent up to now is 59.6 secs Computing kpt #: 287 total cpu time spent up to now is 59.8 secs Computing kpt #: 288 total cpu time spent up to now is 60.0 secs Computing kpt #: 289 total cpu time spent up to now is 60.2 secs Computing kpt #: 290 total cpu time spent up to now is 60.4 secs Computing kpt #: 291 total cpu time spent up to now is 60.6 secs Computing kpt #: 292 total cpu time spent up to now is 60.8 secs Computing kpt #: 293 total cpu time spent up to now is 61.0 secs Computing kpt #: 294 total cpu time spent up to now is 61.2 secs Computing kpt #: 295 total cpu time spent up to now is 61.4 secs Computing kpt #: 296 total cpu time spent up to now is 61.6 secs Computing kpt #: 297 total cpu time spent up to now is 61.9 secs Computing kpt #: 298 total cpu time spent up to now is 62.0 secs Computing kpt #: 299 total cpu time spent up to now is 62.2 secs Computing kpt #: 300 total cpu time spent up to now is 62.4 secs Computing kpt #: 301 total cpu time spent up to now is 62.6 secs Computing kpt #: 302 total cpu time spent up to now is 62.8 secs Computing kpt #: 303 total cpu time spent up to now is 63.0 secs Computing kpt #: 304 total cpu time spent up to now is 63.1 secs Computing kpt #: 305 total cpu time spent up to now is 63.3 secs Computing kpt #: 306 total cpu time spent up to now is 63.5 secs Computing kpt #: 307 total cpu time spent up to now is 63.7 secs Computing kpt #: 308 total cpu time spent up to now is 63.8 secs Computing kpt #: 309 total cpu time spent up to now is 64.0 secs Computing kpt #: 310 total cpu time spent up to now is 64.2 secs Computing kpt #: 311 total cpu time spent up to now is 64.3 secs Computing kpt #: 312 total cpu time spent up to now is 64.5 secs Computing kpt #: 313 total cpu time spent up to now is 64.6 secs Computing kpt #: 314 total cpu time spent up to now is 64.8 secs Computing kpt #: 315 total cpu time spent up to now is 64.9 secs Computing kpt #: 316 total cpu time spent up to now is 65.1 secs Computing kpt #: 317 total cpu time spent up to now is 65.3 secs Computing kpt #: 318 total cpu time spent up to now is 65.5 secs Computing kpt #: 319 total cpu time spent up to now is 65.6 secs Computing kpt #: 320 total cpu time spent up to now is 65.8 secs Computing kpt #: 321 total cpu time spent up to now is 66.0 secs Computing kpt #: 322 total cpu time spent up to now is 66.3 secs Computing kpt #: 323 total cpu time spent up to now is 66.5 secs Computing kpt #: 324 total cpu time spent up to now is 66.7 secs Computing kpt #: 325 total cpu time spent up to now is 66.9 secs Computing kpt #: 326 total cpu time spent up to now is 67.1 secs Computing kpt #: 327 total cpu time spent up to now is 67.3 secs Computing kpt #: 328 total cpu time spent up to now is 67.5 secs Computing kpt #: 329 total cpu time spent up to now is 67.7 secs Computing kpt #: 330 total cpu time spent up to now is 67.9 secs Computing kpt #: 331 total cpu time spent up to now is 68.0 secs Computing kpt #: 332 total cpu time spent up to now is 68.2 secs Computing kpt #: 333 total cpu time spent up to now is 68.4 secs Computing kpt #: 334 total cpu time spent up to now is 68.5 secs Computing kpt #: 335 total cpu time spent up to now is 68.7 secs Computing kpt #: 336 total cpu time spent up to now is 68.8 secs Computing kpt #: 337 total cpu time spent up to now is 69.0 secs Computing kpt #: 338 total cpu time spent up to now is 69.2 secs Computing kpt #: 339 total cpu time spent up to now is 69.3 secs Computing kpt #: 340 total cpu time spent up to now is 69.5 secs Computing kpt #: 341 total cpu time spent up to now is 69.6 secs Computing kpt #: 342 total cpu time spent up to now is 69.8 secs Computing kpt #: 343 total cpu time spent up to now is 69.9 secs Computing kpt #: 344 total cpu time spent up to now is 70.1 secs Computing kpt #: 345 total cpu time spent up to now is 70.2 secs Computing kpt #: 346 total cpu time spent up to now is 70.4 secs Computing kpt #: 347 total cpu time spent up to now is 70.6 secs Computing kpt #: 348 total cpu time spent up to now is 70.7 secs Computing kpt #: 349 total cpu time spent up to now is 70.9 secs Computing kpt #: 350 total cpu time spent up to now is 71.0 secs Computing kpt #: 351 total cpu time spent up to now is 71.1 secs Computing kpt #: 352 total cpu time spent up to now is 71.3 secs Computing kpt #: 353 total cpu time spent up to now is 71.4 secs Computing kpt #: 354 total cpu time spent up to now is 71.6 secs Computing kpt #: 355 total cpu time spent up to now is 71.7 secs Computing kpt #: 356 total cpu time spent up to now is 71.9 secs Computing kpt #: 357 total cpu time spent up to now is 72.0 secs Computing kpt #: 358 total cpu time spent up to now is 72.2 secs Computing kpt #: 359 total cpu time spent up to now is 72.3 secs Computing kpt #: 360 total cpu time spent up to now is 72.4 secs Computing kpt #: 361 total cpu time spent up to now is 72.6 secs Computing kpt #: 362 total cpu time spent up to now is 72.7 secs Computing kpt #: 363 total cpu time spent up to now is 72.9 secs Computing kpt #: 364 total cpu time spent up to now is 73.0 secs Computing kpt #: 365 total cpu time spent up to now is 73.2 secs Computing kpt #: 366 total cpu time spent up to now is 73.3 secs Computing kpt #: 367 total cpu time spent up to now is 73.5 secs Computing kpt #: 368 total cpu time spent up to now is 73.6 secs Computing kpt #: 369 total cpu time spent up to now is 73.8 secs Computing kpt #: 370 total cpu time spent up to now is 73.9 secs Computing kpt #: 371 total cpu time spent up to now is 74.1 secs Computing kpt #: 372 total cpu time spent up to now is 74.2 secs Computing kpt #: 373 total cpu time spent up to now is 74.4 secs Computing kpt #: 374 total cpu time spent up to now is 74.6 secs Computing kpt #: 375 total cpu time spent up to now is 74.7 secs Computing kpt #: 376 total cpu time spent up to now is 74.9 secs Computing kpt #: 377 total cpu time spent up to now is 75.0 secs Computing kpt #: 378 total cpu time spent up to now is 75.2 secs Computing kpt #: 379 total cpu time spent up to now is 75.4 secs Computing kpt #: 380 total cpu time spent up to now is 75.5 secs Computing kpt #: 381 total cpu time spent up to now is 75.7 secs Computing kpt #: 382 total cpu time spent up to now is 75.9 secs Computing kpt #: 383 total cpu time spent up to now is 76.0 secs Computing kpt #: 384 total cpu time spent up to now is 76.2 secs Computing kpt #: 385 total cpu time spent up to now is 76.3 secs Computing kpt #: 386 total cpu time spent up to now is 76.5 secs Computing kpt #: 387 total cpu time spent up to now is 76.6 secs Computing kpt #: 388 total cpu time spent up to now is 76.8 secs Computing kpt #: 389 total cpu time spent up to now is 77.0 secs Computing kpt #: 390 total cpu time spent up to now is 77.1 secs Computing kpt #: 391 total cpu time spent up to now is 77.3 secs Computing kpt #: 392 total cpu time spent up to now is 77.4 secs Computing kpt #: 393 total cpu time spent up to now is 77.6 secs Computing kpt #: 394 total cpu time spent up to now is 77.7 secs Computing kpt #: 395 total cpu time spent up to now is 77.9 secs Computing kpt #: 396 total cpu time spent up to now is 78.0 secs Computing kpt #: 397 total cpu time spent up to now is 78.2 secs Computing kpt #: 398 total cpu time spent up to now is 78.3 secs Computing kpt #: 399 total cpu time spent up to now is 78.5 secs Computing kpt #: 400 total cpu time spent up to now is 78.6 secs Computing kpt #: 401 total cpu time spent up to now is 78.8 secs Computing kpt #: 402 total cpu time spent up to now is 78.9 secs Computing kpt #: 403 total cpu time spent up to now is 79.1 secs Computing kpt #: 404 total cpu time spent up to now is 79.3 secs Computing kpt #: 405 total cpu time spent up to now is 79.4 secs Computing kpt #: 406 total cpu time spent up to now is 79.6 secs Computing kpt #: 407 total cpu time spent up to now is 79.7 secs Computing kpt #: 408 total cpu time spent up to now is 79.8 secs Computing kpt #: 409 total cpu time spent up to now is 80.0 secs Computing kpt #: 410 total cpu time spent up to now is 80.2 secs Computing kpt #: 411 total cpu time spent up to now is 80.3 secs Computing kpt #: 412 total cpu time spent up to now is 80.5 secs Computing kpt #: 413 total cpu time spent up to now is 80.7 secs Computing kpt #: 414 total cpu time spent up to now is 80.8 secs Computing kpt #: 415 total cpu time spent up to now is 81.0 secs Computing kpt #: 416 total cpu time spent up to now is 81.2 secs Computing kpt #: 417 total cpu time spent up to now is 81.4 secs Computing kpt #: 418 total cpu time spent up to now is 81.5 secs Computing kpt #: 419 total cpu time spent up to now is 81.7 secs Computing kpt #: 420 total cpu time spent up to now is 81.9 secs Computing kpt #: 421 total cpu time spent up to now is 82.1 secs Computing kpt #: 422 total cpu time spent up to now is 82.2 secs Computing kpt #: 423 total cpu time spent up to now is 82.4 secs Computing kpt #: 424 total cpu time spent up to now is 82.6 secs Computing kpt #: 425 total cpu time spent up to now is 82.8 secs Computing kpt #: 426 total cpu time spent up to now is 83.1 secs Computing kpt #: 427 total cpu time spent up to now is 83.3 secs Computing kpt #: 428 total cpu time spent up to now is 83.5 secs Computing kpt #: 429 total cpu time spent up to now is 83.7 secs Computing kpt #: 430 total cpu time spent up to now is 83.9 secs Computing kpt #: 431 total cpu time spent up to now is 84.1 secs Computing kpt #: 432 total cpu time spent up to now is 84.3 secs Computing kpt #: 433 total cpu time spent up to now is 84.4 secs Computing kpt #: 434 total cpu time spent up to now is 84.6 secs Computing kpt #: 435 total cpu time spent up to now is 84.8 secs Computing kpt #: 436 total cpu time spent up to now is 84.9 secs Computing kpt #: 437 total cpu time spent up to now is 85.1 secs Computing kpt #: 438 total cpu time spent up to now is 85.3 secs Computing kpt #: 439 total cpu time spent up to now is 85.4 secs Computing kpt #: 440 total cpu time spent up to now is 85.5 secs Computing kpt #: 441 total cpu time spent up to now is 85.7 secs Computing kpt #: 442 total cpu time spent up to now is 85.8 secs Computing kpt #: 443 total cpu time spent up to now is 85.9 secs Computing kpt #: 444 total cpu time spent up to now is 86.1 secs Computing kpt #: 445 total cpu time spent up to now is 86.2 secs Computing kpt #: 446 total cpu time spent up to now is 86.4 secs Computing kpt #: 447 total cpu time spent up to now is 86.6 secs Computing kpt #: 448 total cpu time spent up to now is 86.8 secs Computing kpt #: 449 total cpu time spent up to now is 87.0 secs Computing kpt #: 450 total cpu time spent up to now is 87.1 secs Computing kpt #: 451 total cpu time spent up to now is 87.3 secs Computing kpt #: 452 total cpu time spent up to now is 87.5 secs Computing kpt #: 453 total cpu time spent up to now is 87.6 secs Computing kpt #: 454 total cpu time spent up to now is 87.8 secs Computing kpt #: 455 total cpu time spent up to now is 87.9 secs Computing kpt #: 456 total cpu time spent up to now is 88.1 secs Computing kpt #: 457 total cpu time spent up to now is 88.3 secs Computing kpt #: 458 total cpu time spent up to now is 88.5 secs Computing kpt #: 459 total cpu time spent up to now is 88.7 secs Computing kpt #: 460 total cpu time spent up to now is 88.9 secs Computing kpt #: 461 total cpu time spent up to now is 89.2 secs Computing kpt #: 462 total cpu time spent up to now is 89.3 secs Computing kpt #: 463 total cpu time spent up to now is 89.5 secs Computing kpt #: 464 total cpu time spent up to now is 89.7 secs Computing kpt #: 465 total cpu time spent up to now is 89.8 secs ethr = 3.13E-08, avg # of iterations = 21.0 total cpu time spent up to now is 89.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1351 PWs) bands (ev): -8.1391 -8.1391 -6.4469 -6.4469 -6.3967 -6.3967 -2.3304 -2.3304 -0.0542 -0.0542 6.7389 6.7389 6.8152 6.8152 10.4296 10.4296 10.4375 10.4375 11.5025 11.5025 11.5107 11.5107 11.7269 11.7269 11.7353 11.7353 13.2497 13.2497 13.4672 13.4672 13.4761 13.4761 18.6693 18.6693 18.6772 18.6772 19.1982 19.1982 20.4874 20.4953 k = 0.0069 0.0040-0.0000 ( 1355 PWs) bands (ev): -8.1380 -8.1380 -6.4457 -6.4457 -6.3956 -6.3956 -2.3293 -2.3293 -0.0531 -0.0531 6.7394 6.7394 6.8158 6.8158 10.4245 10.4245 10.4333 10.4333 11.4980 11.4980 11.5071 11.5071 11.7222 11.7222 11.7313 11.7313 13.2476 13.2476 13.4632 13.4632 13.4728 13.4728 18.6714 18.6714 18.6795 18.6795 19.2008 19.2008 20.4889 20.4891 k = 0.0139 0.0080-0.0000 ( 1357 PWs) bands (ev): -8.1344 -8.1344 -6.4422 -6.4422 -6.3921 -6.3921 -2.3262 -2.3262 -0.0498 -0.0498 6.7412 6.7412 6.8176 6.8176 10.4067 10.4067 10.4232 10.4232 11.4819 11.4819 11.4993 11.4993 11.7057 11.7057 11.7219 11.7219 13.2413 13.2413 13.4490 13.4490 13.4652 13.4652 18.6773 18.6773 18.6870 18.6870 19.2084 19.2084 20.4903 20.4904 k = 0.0208 0.0120-0.0000 ( 1361 PWs) bands (ev): -8.1285 -8.1285 -6.4364 -6.4364 -6.3863 -6.3863 -2.3209 -2.3209 -0.0443 -0.0443 6.7440 6.7440 6.8205 6.8205 10.3751 10.3751 10.4086 10.4086 11.4532 11.4532 11.4883 11.4883 11.6766 11.6766 11.7082 11.7082 13.2309 13.2309 13.4231 13.4231 13.4547 13.4547 18.6855 18.6855 18.7005 18.7005 19.2211 19.2211 20.4904 20.4905 k = 0.0278 0.0160-0.0000 ( 1359 PWs) bands (ev): -8.1202 -8.1202 -6.4283 -6.4283 -6.3781 -6.3781 -2.3135 -2.3135 -0.0366 -0.0366 6.7480 6.7480 6.8245 6.8245 10.3307 10.3307 10.3889 10.3889 11.4127 11.4127 11.4736 11.4736 11.6357 11.6357 11.6901 11.6901 13.2163 13.2163 13.3866 13.3866 13.4409 13.4409 18.6958 18.6958 18.7204 18.7204 19.2383 19.2383 20.4897 20.4897 k = 0.0347 0.0200-0.0000 ( 1357 PWs) bands (ev): -8.1096 -8.1096 -6.4178 -6.4178 -6.3676 -6.3676 -2.3040 -2.3040 -0.0268 -0.0268 6.7531 6.7531 6.8297 6.8297 10.2740 10.2740 10.3640 10.3640 11.3610 11.3610 11.4550 11.4550 11.5835 11.5835 11.6673 11.6673 13.1980 13.1980 13.3399 13.3399 13.4235 13.4235 18.7078 18.7078 18.7462 18.7462 19.2600 19.2600 20.4879 20.4879 k = 0.0417 0.0241-0.0000 ( 1353 PWs) bands (ev): -8.0965 -8.0965 -6.4051 -6.4051 -6.3547 -6.3547 -2.2923 -2.2923 -0.0147 -0.0147 6.7593 6.7593 6.8360 6.8360 10.2055 10.2055 10.3340 10.3340 11.2983 11.2983 11.4325 11.4325 11.5202 11.5202 11.6399 11.6399 13.1760 13.1760 13.2836 13.2836 13.4024 13.4024 18.7211 18.7211 18.7777 18.7777 19.2856 19.2856 20.4847 20.4847 k = 0.0486 0.0281-0.0000 ( 1357 PWs) bands (ev): -8.0812 -8.0812 -6.3900 -6.3900 -6.3396 -6.3396 -2.2786 -2.2786 -0.0006 -0.0006 6.7665 6.7665 6.8434 6.8434 10.1258 10.1258 10.2992 10.2992 11.2251 11.2251 11.4061 11.4061 11.4464 11.4464 11.6079 11.6079 13.1498 13.1498 13.2179 13.2179 13.3776 13.3776 18.7351 18.7351 18.8145 18.8145 19.3145 19.3145 20.4799 20.4799 k = 0.0556 0.0321-0.0000 ( 1357 PWs) bands (ev): -8.0634 -8.0634 -6.3726 -6.3726 -6.3221 -6.3221 -2.2628 -2.2628 0.0158 0.0158 6.7748 6.7748 6.8518 6.8518 10.0353 10.0353 10.2599 10.2599 11.1418 11.1418 11.3627 11.3627 11.3760 11.3760 11.5716 11.5716 13.1202 13.1202 13.1438 13.1438 13.3493 13.3493 18.7492 18.7492 18.8565 18.8565 19.3465 19.3465 20.4731 20.4731 k = 0.0625 0.0361-0.0000 ( 1353 PWs) bands (ev): -8.0433 -8.0433 -6.3528 -6.3528 -6.3023 -6.3023 -2.2448 -2.2448 0.0343 0.0343 6.7841 6.7841 6.8612 6.8612 9.9347 9.9347 10.2161 10.2161 11.0489 11.0489 11.2696 11.2696 11.3424 11.3424 11.5314 11.5314 13.0594 13.0594 13.0893 13.0893 13.3176 13.3176 18.7628 18.7628 18.9036 18.9036 19.3809 19.3809 20.4643 20.4643 k = 0.0694 0.0401-0.0000 ( 1353 PWs) bands (ev): -8.0208 -8.0208 -6.3308 -6.3308 -6.2801 -6.2801 -2.2248 -2.2248 0.0549 0.0549 6.7944 6.7944 6.8716 6.8716 9.8245 9.8245 10.1684 10.1684 10.9469 10.9469 11.1676 11.1676 11.3051 11.3051 11.4872 11.4872 12.9689 12.9689 13.0533 13.0533 13.2826 13.2826 18.7754 18.7754 18.9553 18.9553 19.4171 19.4171 20.4532 20.4532 k = 0.0764 0.0441-0.0000 ( 1351 PWs) bands (ev): -7.9960 -7.9960 -6.3064 -6.3064 -6.2556 -6.2556 -2.2027 -2.2027 0.0777 0.0777 6.8055 6.8055 6.8828 6.8828 9.7054 9.7054 10.1169 10.1169 10.8364 10.8364 11.0574 11.0574 11.2644 11.2644 11.4394 11.4394 12.8707 12.8707 13.0146 13.0146 13.2444 13.2444 18.7865 18.7865 19.0115 19.0115 19.4546 19.4546 20.4399 20.4399 k = 0.0833 0.0481-0.0000 ( 1351 PWs) bands (ev): -7.9688 -7.9688 -6.2798 -6.2798 -6.2288 -6.2288 -2.1784 -2.1784 0.1026 0.1026 6.8175 6.8175 6.8949 6.8949 9.5778 9.5778 10.0620 10.0620 10.7180 10.7180 10.9395 10.9395 11.2206 11.2206 11.3883 11.3883 12.7655 12.7655 12.9729 12.9729 13.2032 13.2032 18.7956 18.7956 19.0719 19.0719 19.4928 19.4928 20.4243 20.4243 k = 0.0903 0.0521-0.0000 ( 1351 PWs) bands (ev): -7.9392 -7.9392 -6.2508 -6.2508 -6.1997 -6.1997 -2.1521 -2.1521 0.1296 0.1296 6.8303 6.8303 6.9077 6.9077 9.4426 9.4426 10.0039 10.0039 10.5921 10.5921 10.8147 10.8147 11.1737 11.1737 11.3341 11.3341 12.6537 12.6537 12.9284 12.9284 13.1591 13.1591 18.8025 18.8025 19.1362 19.1362 19.5311 19.5311 20.4068 20.4068 k = 0.0972 0.0561-0.0000 ( 1347 PWs) bands (ev): -7.9073 -7.9073 -6.2195 -6.2195 -6.1683 -6.1683 -2.1236 -2.1236 0.1587 0.1587 6.8438 6.8438 6.9211 6.9211 9.3002 9.3002 9.9430 9.9430 10.4595 10.4595 10.6834 10.6834 11.1240 11.1240 11.2772 11.2772 12.5360 12.5360 12.8811 12.8811 13.1124 13.1124 18.8068 18.8068 19.2041 19.2041 19.5689 19.5689 20.3873 20.3873 k = 0.1042 0.0601-0.0000 ( 1347 PWs) bands (ev): -7.8731 -7.8731 -6.1860 -6.1860 -6.1345 -6.1345 -2.0931 -2.0931 0.1899 0.1899 6.8578 6.8578 6.9350 6.9350 9.1514 9.1514 9.8795 9.8795 10.3206 10.3206 10.5463 10.5463 11.0717 11.0717 11.2177 11.2177 12.4125 12.4125 12.8311 12.8311 13.0631 13.0631 18.8085 18.8085 19.2752 19.2752 19.6058 19.6058 20.3661 20.3661 k = 0.1111 0.0642-0.0000 ( 1349 PWs) bands (ev): -7.8365 -7.8365 -6.1501 -6.1501 -6.0984 -6.0984 -2.0605 -2.0605 0.2231 0.2231 6.8721 6.8721 6.9492 6.9492 8.9966 8.9966 9.8138 9.8138 10.1761 10.1761 10.4042 10.4042 11.0170 11.0170 11.1559 11.1559 12.2838 12.2838 12.7783 12.7783 13.0116 13.0116 18.8072 18.8072 19.3492 19.3492 19.6412 19.6412 20.3435 20.3435 k = 0.1181 0.0682-0.0000 ( 1345 PWs) bands (ev): -7.7975 -7.7975 -6.1119 -6.1119 -6.0601 -6.0601 -2.0257 -2.0257 0.2585 0.2585 6.8868 6.8868 6.9635 6.9635 8.8366 8.8366 9.7460 9.7460 10.0265 10.0265 10.2575 10.2575 10.9601 10.9601 11.0921 11.0921 12.1503 12.1503 12.7230 12.7230 12.9578 12.9578 18.8034 18.8034 19.4258 19.4258 19.6746 19.6746 20.3197 20.3197 k = 0.1250 0.0722-0.0000 ( 1345 PWs) bands (ev): -7.7562 -7.7562 -6.0715 -6.0715 -6.0194 -6.0194 -1.9889 -1.9889 0.2957 0.2957 6.9013 6.9013 6.9778 6.9778 8.6719 8.6719 9.6765 9.6765 9.8724 9.8724 10.1071 10.1071 10.9012 10.9012 11.0266 11.0266 12.0124 12.0124 12.6651 12.6651 12.9022 12.9022 18.7967 18.7967 19.5047 19.5047 19.7054 19.7054 20.2949 20.2949 k = 0.1319 0.0762-0.0000 ( 1343 PWs) bands (ev): -7.7126 -7.7126 -6.0288 -6.0288 -5.9764 -5.9764 -1.9500 -1.9500 0.3350 0.3350 6.9156 6.9156 6.9916 6.9916 8.5031 8.5031 9.6056 9.6056 9.7144 9.7144 9.9536 9.9536 10.8404 10.8404 10.9595 10.9595 11.8705 11.8705 12.6048 12.6048 12.8447 12.8447 18.7873 18.7873 19.5854 19.5854 19.7333 19.7333 20.2693 20.2693 k = 0.1389 0.0802-0.0000 ( 1335 PWs) bands (ev): -7.6666 -7.6666 -5.9837 -5.9837 -5.9311 -5.9311 -1.9090 -1.9090 0.3762 0.3762 6.9290 6.9290 7.0047 7.0047 8.3312 8.3312 9.5333 9.5333 9.5531 9.5531 9.7978 9.7978 10.7783 10.7783 10.8910 10.8910 11.7248 11.7248 12.5420 12.5420 12.7858 12.7858 18.7753 18.7753 19.6679 19.6679 19.7577 19.7577 20.2430 20.2430 k = 0.1458 0.0842-0.0000 ( 1335 PWs) bands (ev): -7.6183 -7.6183 -5.9364 -5.9364 -5.8835 -5.8835 -1.8660 -1.8660 0.4193 0.4193 6.9410 6.9410 7.0166 7.0166 8.1566 8.1566 9.3887 9.3887 9.4603 9.4603 9.6404 9.6404 10.7146 10.7146 10.8215 10.8215 11.5756 11.5756 12.4768 12.4768 12.7254 12.7254 18.7608 18.7608 19.7510 19.7510 19.7786 19.7786 20.2163 20.2163 k = 0.1528 0.0882-0.0000 ( 1339 PWs) bands (ev): -7.5677 -7.5677 -5.8869 -5.8869 -5.8337 -5.8337 -1.8209 -1.8209 0.4643 0.4643 6.9504 6.9504 7.0267 7.0267 7.9806 7.9806 9.2223 9.2223 9.3862 9.3862 9.4824 9.4824 10.6497 10.6497 10.7511 10.7511 11.4231 11.4231 12.4094 12.4094 12.6639 12.6639 18.7438 18.7438 19.7945 19.7945 19.8359 19.8359 20.1892 20.1892 k = 0.1597 0.0922-0.0000 ( 1339 PWs) bands (ev): -7.5148 -7.5148 -5.8351 -5.8351 -5.7815 -5.7815 -1.7738 -1.7738 0.5111 0.5111 6.9555 6.9555 7.0343 7.0343 7.8049 7.8049 9.0546 9.0546 9.3116 9.3116 9.3249 9.3249 10.5839 10.5839 10.6799 10.6799 11.2678 11.2678 12.3397 12.3397 12.6013 12.6013 18.7247 18.7247 19.8067 19.8067 19.9205 19.9205 20.1621 20.1621 k = 0.1667 0.0962-0.0000 ( 1339 PWs) bands (ev): -7.4595 -7.4595 -5.7810 -5.7810 -5.7271 -5.7271 -1.7246 -1.7246 0.5597 0.5597 6.9532 6.9532 7.0383 7.0383 7.6327 7.6327 8.8864 8.8864 9.1692 9.1692 9.2365 9.2365 10.5173 10.5173 10.6083 10.6083 11.1100 11.1100 12.2680 12.2680 12.5379 12.5379 18.7036 18.7036 19.8143 19.8143 20.0054 20.0054 20.1350 20.1350 k = 0.1736 0.1002-0.0000 ( 1339 PWs) bands (ev): -7.4019 -7.4019 -5.7247 -5.7247 -5.6704 -5.6704 -1.6734 -1.6734 0.6101 0.6101 6.9367 6.9367 7.0375 7.0375 7.4693 7.4693 8.7187 8.7187 9.0168 9.0168 9.1612 9.1612 10.4500 10.4500 10.5363 10.5363 10.9497 10.9497 12.1942 12.1942 12.4738 12.4738 18.6806 18.6806 19.8174 19.8174 20.0901 20.0901 20.1080 20.1080 k = 0.1806 0.1042-0.0000 ( 1339 PWs) bands (ev): -7.3421 -7.3421 -5.6661 -5.6661 -5.6114 -5.6114 -1.6201 -1.6201 0.6621 0.6621 6.8937 6.8937 7.0303 7.0303 7.3275 7.3275 8.5526 8.5526 8.8691 8.8691 9.0858 9.0858 10.3823 10.3823 10.4641 10.4641 10.7873 10.7873 12.1184 12.1184 12.4093 12.4093 18.6558 18.6558 19.8160 19.8160 20.0812 20.0812 20.1746 20.1746 k = 0.1875 0.1083-0.0000 ( 1339 PWs) bands (ev): -7.2799 -7.2799 -5.6053 -5.6053 -5.5502 -5.5502 -1.5648 -1.5648 0.7157 0.7157 6.8071 6.8071 7.0148 7.0148 7.2222 7.2222 8.3908 8.3908 8.7292 8.7292 9.0105 9.0105 10.3143 10.3143 10.3919 10.3919 10.6229 10.6229 12.0409 12.0409 12.3444 12.3444 18.6296 18.6296 19.8103 19.8103 20.0545 20.0545 20.2582 20.2582 k = 0.1944 0.1123-0.0000 ( 1337 PWs) bands (ev): -7.2154 -7.2154 -5.5423 -5.5423 -5.4868 -5.4868 -1.5075 -1.5075 0.7708 0.7708 6.6741 6.6741 6.9884 6.9884 7.1540 7.1540 8.2356 8.2356 8.5993 8.5993 8.9352 8.9352 10.2461 10.2461 10.3198 10.3198 10.4570 10.4570 11.9617 11.9617 12.2794 12.2794 18.6020 18.6020 19.8006 19.8006 20.0282 20.0282 20.3408 20.3408 k = 0.2014 0.1163-0.0000 ( 1335 PWs) bands (ev): -7.1486 -7.1486 -5.4771 -5.4771 -5.4211 -5.4211 -1.4481 -1.4481 0.8273 0.8273 6.5111 6.5111 6.9486 6.9486 7.1031 7.1031 8.0909 8.0909 8.4821 8.4821 8.8605 8.8605 10.1780 10.1780 10.2480 10.2480 10.2894 10.2894 11.8808 11.8808 12.2142 12.2142 18.5733 18.5733 19.7874 19.7874 20.0022 20.0022 20.4221 20.4221 k = 0.2083 0.1203-0.0000 ( 1342 PWs) bands (ev): -7.0796 -7.0796 -5.4096 -5.4096 -5.3531 -5.3531 -1.3868 -1.3868 0.8852 0.8852 6.3325 6.3325 6.8928 6.8928 7.0504 7.0504 7.9619 7.9619 8.3804 8.3804 8.7862 8.7862 10.1098 10.1098 10.1195 10.1195 10.1764 10.1764 11.7983 11.7983 12.1492 12.1492 18.5437 18.5437 19.7708 19.7708 19.9765 19.9765 20.5019 20.5019 k = 0.2153 0.1243-0.0000 ( 1346 PWs) bands (ev): -7.0083 -7.0083 -5.3400 -5.3400 -5.2830 -5.2830 -1.3234 -1.3234 0.9443 0.9443 6.1462 6.1462 6.8193 6.8193 6.9829 6.9829 7.8541 7.8541 8.2962 8.2962 8.7126 8.7126 9.9492 9.9492 10.0421 10.0421 10.1054 10.1054 11.7145 11.7145 12.0843 12.0843 18.5133 18.5133 19.7516 19.7516 19.9512 19.9512 20.5799 20.5799 k = 0.2222 0.1283-0.0000 ( 1350 PWs) bands (ev): -6.9348 -6.9348 -5.2682 -5.2682 -5.2106 -5.2106 -1.2581 -1.2581 1.0044 1.0044 5.9556 5.9556 6.7272 6.7272 6.8935 6.8935 7.7713 7.7713 8.2303 8.2303 8.6397 8.6397 9.7779 9.7779 9.9749 9.9749 10.0351 10.0351 11.6295 11.6295 12.0196 12.0196 18.4823 18.4823 19.7302 19.7302 19.9263 19.9263 20.6554 20.6554 k = 0.2292 0.1323-0.0000 ( 1352 PWs) bands (ev): -6.8589 -6.8589 -5.1943 -5.1943 -5.1360 -5.1360 -1.1908 -1.1908 1.0654 1.0654 5.7628 5.7628 6.6173 6.6173 6.7807 6.7807 7.7137 7.7137 8.1822 8.1822 8.5676 8.5676 9.6058 9.6058 9.9082 9.9082 9.9655 9.9655 11.5435 11.5435 11.9555 11.9555 18.4509 18.4509 19.7069 19.7069 19.9018 19.9018 20.7293 20.7293 k = 0.2361 0.1363-0.0000 ( 1360 PWs) bands (ev): -6.7809 -6.7809 -5.1182 -5.1182 -5.0592 -5.0592 -1.1216 -1.1216 1.1271 1.1271 5.5686 5.5686 6.4914 6.4914 6.6472 6.6472 7.6775 7.6775 8.1501 8.1501 8.4964 8.4964 9.4329 9.4329 9.8421 9.8421 9.8968 9.8968 11.4566 11.4566 11.8917 11.8917 18.4192 18.4192 19.6822 19.6822 19.8777 19.8777 20.8008 20.8008 k = 0.2431 0.1403-0.0000 ( 1356 PWs) bands (ev): -6.7005 -6.7005 -5.0399 -5.0399 -4.9802 -4.9802 -1.0504 -1.0504 1.1892 1.1892 5.3743 5.3743 6.3520 6.3520 6.4984 6.4984 7.6572 7.6572 8.1318 8.1318 8.4263 8.4263 9.2596 9.2596 9.7768 9.7768 9.8289 9.8289 11.3691 11.3691 11.8289 11.8289 18.3876 18.3876 19.6566 19.6566 19.8540 19.8540 20.8699 20.8699 k = 0.2500 0.1443-0.0000 ( 1354 PWs) bands (ev): -6.6180 -6.6180 -4.9595 -4.9595 -4.8990 -4.8990 -0.9773 -0.9773 1.2514 1.2514 5.1803 5.1803 6.2016 6.2016 6.3388 6.3388 7.6478 7.6478 8.1245 8.1245 8.3573 8.3573 9.0857 9.0857 9.7123 9.7123 9.7621 9.7621 11.2809 11.2809 11.7670 11.7670 18.3560 18.3560 19.6304 19.6304 19.8307 19.8307 20.9365 20.9365 k = 0.2569 0.1483-0.0000 ( 1362 PWs) bands (ev): -6.5333 -6.5333 -4.8771 -4.8771 -4.8157 -4.8157 -0.9024 -0.9024 1.3133 1.3133 4.9871 4.9871 6.0423 6.0423 6.1719 6.1719 7.6455 7.6455 8.1259 8.1259 8.2895 8.2895 8.9119 8.9119 9.6488 9.6488 9.6964 9.6964 11.1926 11.1926 11.7057 11.7057 18.3245 18.3245 19.6038 19.6038 19.8078 19.8078 21.0003 21.0003 k = 0.2639 0.1524-0.0000 ( 1362 PWs) bands (ev): -6.4463 -6.4463 -4.7926 -4.7926 -4.7303 -4.7303 -0.8255 -0.8255 1.3746 1.3746 4.7952 4.7952 5.8766 5.8766 6.0007 6.0007 7.6477 7.6477 8.1341 8.1341 8.2229 8.2229 8.7384 8.7384 9.5863 9.5863 9.6319 9.6319 11.1044 11.1044 11.6455 11.6455 18.2935 18.2935 19.5773 19.5773 19.7853 19.7853 21.0614 21.0614 k = 0.2708 0.1564-0.0000 ( 1360 PWs) bands (ev): -6.3572 -6.3572 -4.7060 -4.7060 -4.6427 -4.6427 -0.7469 -0.7469 1.4346 1.4346 4.6052 4.6052 5.7058 5.7058 5.8270 5.8270 7.6524 7.6524 8.1466 8.1466 8.1577 8.1577 8.5662 8.5662 9.5249 9.5249 9.5686 9.5686 11.0165 11.0165 11.5863 11.5863 18.2631 18.2631 19.5511 19.5511 19.7632 19.7632 21.1197 21.1197 k = 0.2778 0.1604-0.0000 ( 1360 PWs) bands (ev): -6.2659 -6.2659 -4.6174 -4.6174 -4.5531 -4.5531 -0.6664 -0.6664 1.4926 1.4926 4.4178 4.4178 5.5311 5.5311 5.6523 5.6523 7.6582 7.6582 8.0939 8.0939 8.1588 8.1588 8.3987 8.3987 9.4647 9.4647 9.5067 9.5067 10.9291 10.9291 11.5283 11.5283 18.2333 18.2333 19.5255 19.5255 19.7415 19.7415 21.1751 21.1751 k = 0.2847 0.1644-0.0000 ( 1356 PWs) bands (ev): -6.1725 -6.1725 -4.5269 -4.5269 -4.4613 -4.4613 -0.5840 -0.5840 1.5478 1.5478 4.2336 4.2336 5.3537 5.3537 5.4776 5.4776 7.6640 7.6640 8.0315 8.0315 8.1419 8.1419 8.2638 8.2638 9.4058 9.4058 9.4461 9.4461 10.8427 10.8427 11.4714 11.4714 18.2043 18.2043 19.5007 19.5007 19.7202 19.7202 21.2276 21.2276 k = 0.2917 0.1684-0.0000 ( 1360 PWs) bands (ev): -6.0769 -6.0769 -4.4343 -4.4343 -4.3675 -4.3675 -0.5001 -0.5001 1.5987 1.5987 4.0535 4.0535 5.1743 5.1743 5.3041 5.3041 7.6689 7.6689 7.9706 7.9706 8.0145 8.0145 8.2423 8.2423 9.3481 9.3481 9.3868 9.3868 10.7575 10.7575 11.4157 11.4157 18.1762 18.1762 19.4768 19.4768 19.6992 19.6992 21.2773 21.2773 k = 0.2986 0.1724-0.0000 ( 1356 PWs) bands (ev): -5.9792 -5.9792 -4.3398 -4.3398 -4.2716 -4.2716 -0.4144 -0.4144 1.6439 1.6439 3.8784 3.8784 4.9936 4.9936 5.1329 5.1329 7.6723 7.6723 7.8483 7.8483 7.9114 7.9114 8.2621 8.2621 9.2919 9.2919 9.3292 9.3292 10.6740 10.6740 11.3614 11.3614 18.1493 18.1493 19.4541 19.4541 19.6786 19.6786 21.3241 21.3241 k = 0.3056 0.1764-0.0000 ( 1356 PWs) bands (ev): -5.8794 -5.8794 -4.2435 -4.2435 -4.1737 -4.1737 -0.3272 -0.3272 1.6816 1.6816 3.7098 3.7098 4.8122 4.8122 4.9652 4.9652 7.6728 7.6728 7.6776 7.6776 7.8537 7.8537 8.2890 8.2890 9.2371 9.2371 9.2731 9.2731 10.5924 10.5924 11.3085 11.3085 18.1234 18.1234 19.4328 19.4328 19.6585 19.6585 21.3682 21.3682 k = 0.3125 0.1804-0.0000 ( 1356 PWs) bands (ev): -5.7775 -5.7775 -4.1453 -4.1453 -4.0739 -4.0739 -0.2384 -0.2384 1.7092 1.7092 3.5489 3.5489 4.6306 4.6306 4.8022 4.8022 7.5046 7.5046 7.6715 7.6715 7.7977 7.7977 8.3186 8.3186 9.1839 9.1839 9.2186 9.2186 10.5133 10.5133 11.2570 11.2570 18.0987 18.0987 19.4129 19.4129 19.6387 19.6387 21.4095 21.4095 k = 0.3194 0.1844-0.0000 ( 1360 PWs) bands (ev): -5.6737 -5.6737 -4.0454 -4.0454 -3.9720 -3.9720 -0.1482 -0.1482 1.7237 1.7237 3.3973 3.3973 4.4491 4.4491 4.6458 4.6458 7.3322 7.3322 7.6662 7.6662 7.7434 7.7434 8.3499 8.3499 9.1322 9.1322 9.1657 9.1657 10.4370 10.4370 11.2069 11.2069 18.0753 18.0753 19.3947 19.3947 19.6193 19.6193 21.2958 21.2958 k = 0.3264 0.1884-0.0000 ( 1360 PWs) bands (ev): -5.5678 -5.5678 -3.9438 -3.9438 -3.8683 -3.8683 -0.0567 -0.0567 1.7220 1.7220 3.2566 3.2566 4.2683 4.2683 4.4980 4.4980 7.1599 7.1599 7.6568 7.6568 7.6909 7.6909 8.3819 8.3819 9.0821 9.0821 9.1145 9.1145 10.3638 10.3638 11.1585 11.1585 18.0533 18.0533 19.3783 19.3783 19.6003 19.6003 21.1598 21.1598 k = 0.3333 0.1925-0.0000 ( 1360 PWs) bands (ev): -5.4599 -5.4599 -3.8406 -3.8406 -3.7627 -3.7627 0.0360 0.0360 1.7009 1.7009 3.1276 3.1276 4.0884 4.0884 4.3615 4.3615 6.9882 6.9882 7.6401 7.6401 7.6430 7.6430 8.4146 8.4146 9.0336 9.0336 9.0651 9.0651 10.2944 10.2944 11.1115 11.1115 18.0328 18.0328 19.3636 19.3636 19.5818 19.5818 21.0263 21.0263 k = 0.3403 0.1965-0.0000 ( 1360 PWs) bands (ev): -5.3501 -5.3501 -3.7358 -3.7358 -3.6552 -3.6552 0.1297 0.1297 1.6580 1.6580 3.0094 3.0094 3.9100 3.9100 4.2396 4.2396 6.8171 6.8171 7.5913 7.5913 7.6243 7.6243 8.4476 8.4476 8.9869 8.9869 9.0174 9.0174 10.2291 10.2291 11.0663 11.0663 18.0139 18.0139 19.3510 19.3510 19.5637 19.5637 20.8957 20.8957 k = 0.3472 0.2005-0.0000 ( 1360 PWs) bands (ev): -5.2384 -5.2384 -3.6296 -3.6296 -3.5460 -3.5460 0.2242 0.2242 1.5926 1.5926 2.8995 2.8995 3.7334 3.7334 4.1360 4.1360 6.6468 6.6468 7.5442 7.5442 7.6003 7.6003 8.4807 8.4807 8.9419 8.9419 8.9715 8.9715 10.1682 10.1682 11.0226 11.0226 17.9966 17.9966 19.3403 19.3403 19.5460 19.5460 20.7682 20.7682 k = 0.3542 0.2045-0.0000 ( 1360 PWs) bands (ev): -5.1248 -5.1248 -3.5220 -3.5220 -3.4350 -3.4350 0.3191 0.3191 1.5060 1.5060 2.7931 2.7931 3.5591 3.5591 4.0540 4.0540 6.4772 6.4772 7.4991 7.4991 7.5708 7.5708 8.5137 8.5137 8.8987 8.8987 8.9275 8.9275 10.1119 10.1119 10.9807 10.9807 17.9811 17.9811 19.3318 19.3318 19.5288 19.5288 20.6439 20.6439 k = 0.3611 0.2085-0.0000 ( 1360 PWs) bands (ev): -5.0095 -5.0095 -3.4134 -3.4134 -3.3224 -3.3224 0.4140 0.4140 1.4012 1.4012 2.6853 2.6853 3.3877 3.3877 3.9962 3.9962 6.3086 6.3086 7.4559 7.4559 7.5355 7.5355 8.5462 8.5462 8.8572 8.8572 8.8853 8.8853 10.0605 10.0605 10.9406 10.9406 17.9672 17.9672 19.3255 19.3255 19.5121 19.5121 20.5232 20.5232 k = 0.3681 0.2125-0.0000 ( 1366 PWs) bands (ev): -4.8923 -4.8923 -3.3038 -3.3038 -3.2083 -3.2083 0.5084 0.5084 1.2818 1.2818 2.5719 2.5719 3.2200 3.2200 3.9633 3.9633 6.1409 6.1409 7.4145 7.4145 7.4943 7.4943 8.5782 8.5782 8.8176 8.8176 8.8450 8.8450 10.0141 10.0141 10.9021 10.9021 17.9551 17.9551 19.3213 19.3213 19.4958 19.4958 20.4061 20.4061 k = 0.3750 0.2165-0.0000 ( 1360 PWs) bands (ev): -4.7736 -4.7736 -3.1934 -3.1934 -3.0926 -3.0926 0.6015 0.6015 1.1517 1.1517 2.4505 2.4505 3.0569 3.0569 3.9541 3.9541 5.9744 5.9744 7.3752 7.3752 7.4472 7.4472 8.6095 8.6095 8.7799 8.7799 8.8067 8.8067 9.9727 9.9727 10.8656 10.8656 17.9449 17.9449 19.3195 19.3195 19.4801 19.4801 20.2929 20.2929 k = 0.3819 0.2205-0.0000 ( 1360 PWs) bands (ev): -4.6532 -4.6532 -3.0827 -3.0827 -2.9756 -2.9756 0.6921 0.6921 1.0143 1.0143 2.3209 2.3209 2.8997 2.8997 3.9657 3.9657 5.8090 5.8090 7.3379 7.3379 7.3945 7.3945 8.6400 8.6400 8.7441 8.7441 8.7702 8.7702 9.9362 9.9362 10.8308 10.8308 17.9365 17.9365 19.3200 19.3200 19.4649 19.4649 20.1838 20.1838 k = 0.3889 0.2245-0.0000 ( 1360 PWs) bands (ev): -4.5314 -4.5314 -2.9718 -2.9718 -2.8574 -2.8574 0.7786 0.7786 0.8724 0.8724 2.1838 2.1838 2.7501 2.7501 3.9949 3.9949 5.6448 5.6448 7.3027 7.3027 7.3363 7.3363 8.6694 8.6694 8.7103 8.7103 8.7358 8.7358 9.9044 9.9044 10.7979 10.7979 17.9299 17.9299 19.3227 19.3227 19.4501 19.4501 20.0789 20.0789 k = 0.3958 0.2285-0.0000 ( 1364 PWs) bands (ev): -4.4081 -4.4081 -2.8614 -2.8614 -2.7381 -2.7381 0.7283 0.7283 0.8587 0.8587 2.0410 2.0410 2.6107 2.6107 4.0382 4.0382 5.4819 5.4819 7.2693 7.2693 7.2731 7.2731 8.6780 8.6780 8.6981 8.6981 8.7033 8.7033 9.8772 9.8772 10.7668 10.7668 17.9250 17.9250 19.3276 19.3276 19.4356 19.4356 19.9786 19.9786 k = 0.4028 0.2325-0.0000 ( 1356 PWs) bands (ev): -4.2836 -4.2836 -2.7520 -2.7520 -2.6179 -2.6179 0.5842 0.5842 0.9289 0.9289 1.8938 1.8938 2.4853 2.4853 4.0927 4.0927 5.3204 5.3204 7.2051 7.2051 7.2383 7.2383 8.6482 8.6482 8.6728 8.6728 8.7251 8.7251 9.8542 9.8542 10.7378 10.7378 17.9220 17.9220 19.3348 19.3348 19.4217 19.4217 19.8832 19.8832 k = 0.4097 0.2366-0.0000 ( 1352 PWs) bands (ev): -4.1580 -4.1580 -2.6443 -2.6443 -2.4971 -2.4971 0.4420 0.4420 0.9844 0.9844 1.7436 1.7436 2.3788 2.3788 4.1558 4.1558 5.1603 5.1603 7.1333 7.1333 7.2092 7.2092 8.6202 8.6202 8.6444 8.6444 8.7509 8.7509 9.8350 9.8350 10.7107 10.7107 17.9206 17.9206 19.3442 19.3442 19.4078 19.4078 19.7929 19.7929 k = 0.4167 0.2406-0.0000 ( 1350 PWs) bands (ev): -4.0317 -4.0317 -2.5395 -2.5395 -2.3760 -2.3760 0.3037 0.3037 1.0191 1.0191 1.5916 1.5916 2.2977 2.2977 4.2253 4.2253 5.0019 5.0019 7.0580 7.0580 7.1822 7.1822 8.5942 8.5942 8.6180 8.6180 8.7755 8.7755 9.8193 9.8193 10.6854 10.6854 17.9208 17.9208 19.3555 19.3555 19.3937 19.3937 19.7085 19.7085 k = 0.4236 0.2446-0.0000 ( 1354 PWs) bands (ev): -3.9047 -3.9047 -2.4389 -2.4389 -2.2551 -2.2551 0.1711 0.1711 1.0271 1.0271 1.4389 1.4389 2.2481 2.2481 4.2994 4.2994 4.8451 4.8451 6.9801 6.9801 7.1573 7.1573 8.5702 8.5702 8.5936 8.5936 8.7983 8.7983 9.8065 9.8065 10.6621 10.6621 17.9225 17.9225 19.3687 19.3687 19.3788 19.3788 19.6306 19.6306 k = 0.4306 0.2486-0.0000 ( 1354 PWs) bands (ev): -3.7775 -3.7775 -2.3443 -2.3443 -2.1347 -2.1347 0.0470 0.0470 1.0051 1.0051 1.2862 1.2862 2.2338 2.2338 4.3767 4.3767 4.6902 4.6902 6.9004 6.9004 7.1345 7.1345 8.5482 8.5482 8.5713 8.5713 8.8195 8.8195 9.7963 9.7963 10.6408 10.6408 17.9256 17.9256 19.3622 19.3622 19.3835 19.3835 19.5606 19.5606 k = 0.4375 0.2526-0.0000 ( 1354 PWs) bands (ev): -3.6504 -3.6504 -2.2581 -2.2581 -2.0157 -2.0157 -0.0660 -0.0660 0.9550 0.9550 1.1343 1.1343 2.2536 2.2536 4.4557 4.4557 4.5373 4.5373 6.8199 6.8199 7.1139 7.1139 8.5283 8.5283 8.5511 8.5511 8.8389 8.8389 9.7883 9.7883 10.6214 10.6214 17.9297 17.9297 19.3418 19.3418 19.3998 19.3998 19.5009 19.5009 k = 0.4444 0.2566-0.0000 ( 1358 PWs) bands (ev): -3.5242 -3.5242 -2.1832 -2.1832 -1.8987 -1.8987 -0.1644 -0.1644 0.8828 0.8828 0.9839 0.9839 2.3019 2.3019 4.3865 4.3865 4.5350 4.5350 6.7395 6.7395 7.0954 7.0954 8.5105 8.5105 8.5330 8.5330 8.8564 8.8564 9.7821 9.7821 10.6041 10.6041 17.9348 17.9348 19.3152 19.3152 19.4170 19.4170 19.4540 19.4540 k = 0.4514 0.2606-0.0000 ( 1358 PWs) bands (ev): -3.3994 -3.3994 -2.1230 -2.1230 -1.7851 -1.7851 -0.2440 -0.2440 0.7964 0.7964 0.8357 0.8357 2.3719 2.3719 4.2383 4.2383 4.6132 4.6132 6.6606 6.6606 7.0790 7.0790 8.4947 8.4947 8.5171 8.5171 8.8722 8.8722 9.7775 9.7775 10.5888 10.5888 17.9405 17.9405 19.2814 19.2814 19.4216 19.4216 19.4348 19.4348 k = 0.4583 0.2646-0.0000 ( 1358 PWs) bands (ev): -3.2773 -3.2773 -2.0809 -2.0809 -1.6762 -1.6762 -0.3009 -0.3009 0.6905 0.6905 0.7032 0.7032 2.4573 2.4573 4.0931 4.0931 4.6885 4.6885 6.5848 6.5848 7.0648 7.0648 8.4811 8.4811 8.5032 8.5032 8.8860 8.8860 9.7741 9.7741 10.5755 10.5755 17.9465 17.9465 19.2438 19.2438 19.4006 19.4006 19.4527 19.4527 k = 0.4653 0.2686-0.0000 ( 1360 PWs) bands (ev): -3.1595 -3.1595 -2.0593 -2.0593 -1.5744 -1.5744 -0.3314 -0.3314 0.5491 0.5491 0.6096 0.6096 2.5532 2.5532 3.9515 3.9515 4.7591 4.7591 6.5138 6.5138 7.0528 7.0528 8.4695 8.4695 8.4914 8.4914 8.8977 8.8977 9.7716 9.7716 10.5642 10.5642 17.9525 17.9525 19.2070 19.2070 19.3869 19.3869 19.4700 19.4700 k = 0.4722 0.2726-0.0000 ( 1364 PWs) bands (ev): -3.0484 -3.0484 -2.0583 -2.0583 -1.4823 -1.4823 -0.3340 -0.3340 0.4127 0.4127 0.5213 0.5213 2.6552 2.6552 3.8149 3.8149 4.8226 4.8226 6.4499 6.4499 7.0430 7.0430 8.4599 8.4599 8.4817 8.4817 8.9074 8.9074 9.7699 9.7699 10.5550 10.5550 17.9580 17.9580 19.1741 19.1741 19.3775 19.3775 19.4858 19.4858 k = 0.4792 0.2766-0.0000 ( 1356 PWs) bands (ev): -2.9480 -2.9480 -2.0743 -2.0743 -1.4036 -1.4036 -0.3096 -0.3096 0.2830 0.2830 0.4440 0.4440 2.7592 2.7592 3.6857 3.6857 4.8766 4.8766 6.3956 6.3956 7.0355 7.0355 8.4526 8.4526 8.4743 8.4743 8.9150 8.9150 9.7688 9.7688 10.5478 10.5478 17.9629 17.9629 19.1472 19.1472 19.3712 19.3712 19.4995 19.4995 k = 0.4861 0.2807-0.0000 ( 1356 PWs) bands (ev): -2.8645 -2.8645 -2.1000 -2.1000 -1.3424 -1.3424 -0.2625 -0.2625 0.1629 0.1629 0.3831 0.3831 2.8583 2.8583 3.5692 3.5692 4.9182 4.9182 6.3539 6.3539 7.0300 7.0300 8.4473 8.4473 8.4689 8.4689 8.9205 8.9205 9.7681 9.7681 10.5426 10.5426 17.9666 17.9666 19.1273 19.1273 19.3669 19.3669 19.5100 19.5100 k = 0.4931 0.2847-0.0000 ( 1348 PWs) bands (ev): -2.8072 -2.8072 -2.1239 -2.1239 -1.3033 -1.3033 -0.2021 -0.2021 0.0600 0.0600 0.3440 0.3440 2.9388 2.9388 3.4787 3.4787 4.9446 4.9446 6.3276 6.3276 7.0268 7.0268 8.4442 8.4442 8.4657 8.4657 8.9238 8.9238 9.7677 9.7677 10.5396 10.5396 17.9690 17.9690 19.1152 19.1152 19.3645 19.3645 19.5167 19.5167 k = 0.5000 0.2887-0.0000 ( 1344 PWs) bands (ev): -2.7863 -2.7863 -2.1337 -2.1337 -1.2898 -1.2898 -0.1641 -0.1641 0.0080 0.0080 0.3304 0.3304 2.9726 2.9726 3.4416 3.4416 4.9536 4.9536 6.3185 6.3185 7.0257 7.0257 8.4431 8.4431 8.4647 8.4647 8.9249 8.9249 9.7676 9.7676 10.5385 10.5385 17.9698 17.9698 19.1111 19.1111 19.3638 19.3638 19.5190 19.5190 k = 0.5000 0.2887-0.0000 ( 1344 PWs) bands (ev): -2.7863 -2.7863 -2.1337 -2.1337 -1.2898 -1.2898 -0.1641 -0.1641 0.0080 0.0080 0.3304 0.3304 2.9726 2.9726 3.4416 3.4416 4.9536 4.9536 6.3185 6.3185 7.0257 7.0257 8.4431 8.4431 8.4647 8.4647 8.9249 8.9249 9.7676 9.7676 10.5385 10.5385 17.9698 17.9698 19.1111 19.1111 19.3638 19.3638 19.5190 19.5190 k = 0.4960 0.2955-0.0000 ( 1348 PWs) bands (ev): -2.7853 -2.7853 -2.1327 -2.1327 -1.2888 -1.2888 -0.1635 -0.1635 0.0090 0.0090 0.3315 0.3315 2.9735 2.9735 3.4421 3.4421 4.9544 4.9544 6.3181 6.3181 7.0194 7.0194 8.4380 8.4380 8.4554 8.4554 8.9287 8.9287 9.7664 9.7664 10.5332 10.5332 17.9784 17.9784 19.1133 19.1133 19.3702 19.3702 19.5266 19.5266 k = 0.4921 0.3024-0.0000 ( 1348 PWs) bands (ev): -2.7821 -2.7821 -2.1297 -2.1297 -1.2859 -1.2859 -0.1616 -0.1616 0.0120 0.0120 0.3346 0.3346 2.9761 2.9761 3.4436 3.4436 4.9568 4.9568 6.3167 6.3167 7.0007 7.0007 8.4227 8.4227 8.4286 8.4286 8.9395 8.9395 9.7628 9.7628 10.5173 10.5173 18.0041 18.0041 19.1193 19.1193 19.3900 19.3900 19.5494 19.5494 k = 0.4881 0.3093-0.0000 ( 1356 PWs) bands (ev): -2.7769 -2.7769 -2.1246 -2.1246 -1.2812 -1.2812 -0.1585 -0.1585 0.0170 0.0170 0.3399 0.3399 2.9806 2.9806 3.4460 3.4460 4.9607 4.9607 6.3143 6.3143 6.9696 6.9696 8.3861 8.3861 8.3974 8.3974 8.9552 8.9552 9.7568 9.7568 10.4910 10.4910 18.0467 18.0467 19.1283 19.1283 19.4236 19.4236 19.5872 19.5872 k = 0.4841 0.3162-0.0000 ( 1360 PWs) bands (ev): -2.7695 -2.7695 -2.1175 -2.1175 -1.2745 -1.2745 -0.1542 -0.1542 0.0241 0.0241 0.3473 0.3473 2.9867 2.9867 3.4493 3.4493 4.9661 4.9661 6.3106 6.3106 6.9267 6.9267 8.3305 8.3305 8.3627 8.3627 8.9739 8.9739 9.7483 9.7483 10.4544 10.4544 18.1060 18.1060 19.1392 19.1392 19.4720 19.4720 19.6397 19.6397 k = 0.4802 0.3230-0.0000 ( 1360 PWs) bands (ev): -2.7600 -2.7600 -2.1083 -2.1083 -1.2658 -1.2658 -0.1486 -0.1486 0.0331 0.0331 0.3568 0.3568 2.9947 2.9947 3.4536 3.4536 4.9730 4.9730 6.3055 6.3055 6.8726 6.8726 8.2638 8.2638 8.3193 8.3193 8.9938 8.9938 9.7373 9.7373 10.4078 10.4078 18.1813 18.1813 19.1513 19.1513 19.5353 19.5353 19.7065 19.7065 k = 0.4762 0.3299-0.0000 ( 1364 PWs) bands (ev): -2.7484 -2.7484 -2.0971 -2.0971 -1.2553 -1.2553 -0.1419 -0.1419 0.0442 0.0442 0.3684 0.3684 3.0044 3.0044 3.4586 3.4586 4.9812 4.9812 6.2987 6.2987 6.8078 6.8078 8.1874 8.1874 8.2676 8.2676 9.0140 9.0140 9.7237 9.7237 10.3513 10.3513 18.2720 18.2720 19.1643 19.1643 19.6136 19.6136 19.7871 19.7871 k = 0.4722 0.3368-0.0000 ( 1364 PWs) bands (ev): -2.7347 -2.7347 -2.0840 -2.0840 -1.2429 -1.2429 -0.1341 -0.1341 0.0572 0.0572 0.3822 0.3822 3.0159 3.0159 3.4645 3.4645 4.9907 4.9907 6.2898 6.2898 6.7331 6.7331 8.1025 8.1025 8.2090 8.2090 9.0340 9.0340 9.7078 9.7078 10.2859 10.2859 18.3775 18.3775 19.1779 19.1779 19.7062 19.7062 19.8808 19.8808 k = 0.4683 0.3437-0.0000 ( 1364 PWs) bands (ev): -2.7189 -2.7189 -2.0688 -2.0688 -1.2285 -1.2285 -0.1252 -0.1252 0.0722 0.0722 0.3980 0.3980 3.0292 3.0292 3.4710 3.4710 5.0012 5.0012 6.2782 6.2782 6.6494 6.6494 8.0100 8.0100 8.1444 8.1444 9.0533 9.0533 9.6892 9.6892 10.2117 10.2117 18.4970 18.4970 19.1922 19.1922 19.8124 19.8124 19.9870 19.9870 k = 0.4643 0.3505-0.0000 ( 1364 PWs) bands (ev): -2.7010 -2.7010 -2.0516 -2.0516 -1.2123 -1.2123 -0.1153 -0.1153 0.0891 0.0891 0.4159 0.4159 3.0441 3.0441 3.4780 3.4780 5.0126 5.0126 6.2634 6.2634 6.5578 6.5578 7.9108 7.9108 8.0750 8.0750 9.0720 9.0720 9.6681 9.6681 10.1292 10.1292 18.6295 18.6295 19.2073 19.2073 19.9312 19.9312 20.1049 20.1049 k = 0.4603 0.3574-0.0000 ( 1360 PWs) bands (ev): -2.6810 -2.6810 -2.0324 -2.0324 -1.1942 -1.1942 -0.1044 -0.1044 0.1080 0.1080 0.4360 0.4360 3.0608 3.0608 3.4855 3.4855 5.0244 5.0244 6.2445 6.2445 6.4593 6.4593 7.8057 7.8057 8.0024 8.0024 9.0900 9.0900 9.6444 9.6444 10.0389 10.0389 18.7741 18.7741 19.2235 19.2235 20.0620 20.0620 20.2338 20.2338 k = 0.4563 0.3643-0.0000 ( 1360 PWs) bands (ev): -2.6589 -2.6589 -2.0112 -2.0112 -1.1743 -1.1743 -0.0927 -0.0927 0.1287 0.1287 0.4581 0.4581 3.0793 3.0793 3.4933 3.4933 5.0361 5.0361 6.2206 6.2206 6.3552 6.3552 7.6952 7.6952 7.9280 7.9280 9.1072 9.1072 9.6179 9.6179 9.9413 9.9413 18.9296 18.9296 19.2406 19.2406 20.2034 20.2034 20.3726 20.3726 k = 0.4524 0.3712-0.0000 ( 1362 PWs) bands (ev): -2.6347 -2.6347 -1.9881 -1.9881 -1.1525 -1.1525 -0.0802 -0.0802 0.1514 0.1514 0.4823 0.4823 3.0994 3.0994 3.5011 3.5011 5.0471 5.0471 6.1908 6.1908 6.2471 6.2471 7.5802 7.5802 7.8536 7.8536 9.1238 9.1238 9.5887 9.5887 9.8370 9.8370 19.0947 19.0947 19.2588 19.2588 20.3547 20.3547 20.5205 20.5205 k = 0.4484 0.3780-0.0000 ( 1362 PWs) bands (ev): -2.6084 -2.6084 -1.9629 -1.9629 -1.1289 -1.1289 -0.0671 -0.0671 0.1759 0.1759 0.5085 0.5085 3.1212 3.1212 3.5088 3.5088 5.0562 5.0562 6.1369 6.1369 6.1540 6.1540 7.4615 7.4615 7.7809 7.7809 9.1399 9.1399 9.5568 9.5568 9.7266 9.7266 19.2677 19.2677 19.2781 19.2781 20.5147 20.5147 20.6347 20.6347 k = 0.4444 0.3849-0.0000 ( 1366 PWs) bands (ev): -2.5801 -2.5801 -1.9359 -1.9359 -1.1035 -1.1035 -0.0535 -0.0535 0.2022 0.2022 0.5368 0.5368 3.1446 3.1446 3.5161 3.5161 5.0616 5.0616 6.0271 6.0271 6.1090 6.1090 7.3396 7.3396 7.7116 7.7116 9.1556 9.1556 9.5221 9.5221 9.6105 9.6105 19.2985 19.2985 19.4463 19.4463 20.6593 20.6593 20.6825 20.6825 k = 0.4405 0.3918-0.0000 ( 1366 PWs) bands (ev): -2.5497 -2.5497 -1.9069 -1.9069 -1.0763 -1.0763 -0.0395 -0.0395 0.2303 0.2303 0.5672 0.5672 3.1697 3.1697 3.5226 3.5226 5.0610 5.0610 5.9211 5.9211 6.0550 6.0550 7.2157 7.2157 7.6474 7.6474 9.1708 9.1708 9.4832 9.4832 9.4907 9.4907 19.3200 19.3200 19.6267 19.6267 20.6856 20.6856 20.8554 20.8554 k = 0.4365 0.3986-0.0000 ( 1366 PWs) bands (ev): -2.5171 -2.5171 -1.8760 -1.8760 -1.0473 -1.0473 -0.0253 -0.0253 0.2601 0.2601 0.5996 0.5996 3.1964 3.1964 3.5281 3.5281 5.0505 5.0505 5.8233 5.8233 5.9911 5.9911 7.0904 7.0904 7.5897 7.5897 9.1857 9.1857 9.3632 9.3632 9.4445 9.4445 19.3427 19.3427 19.8025 19.8025 20.7135 20.7135 20.8012 20.8012 k = 0.4325 0.4055-0.0000 ( 1374 PWs) bands (ev): -2.4826 -2.4826 -1.8432 -1.8432 -1.0166 -1.0166 -0.0111 -0.0111 0.2915 0.2915 0.6340 0.6340 3.2246 3.2246 3.5321 3.5321 5.0250 5.0250 5.7396 5.7396 5.9168 5.9168 6.9647 6.9647 7.5394 7.5394 9.2003 9.2003 9.2332 9.2332 9.4013 9.4013 19.3664 19.3664 19.9607 19.9607 20.7429 20.7429 20.7742 20.7742 k = 0.4286 0.4124-0.0000 ( 1378 PWs) bands (ev): -2.4460 -2.4460 -1.8085 -1.8085 -0.9842 -0.9842 0.0029 0.0029 0.3246 0.3246 0.6705 0.6705 3.2543 3.2543 3.5341 3.5341 4.9796 4.9796 5.6755 5.6755 5.8321 5.8321 6.8393 6.8393 7.4972 7.4972 9.0996 9.0996 9.2147 9.2147 9.3553 9.3553 19.3912 19.3912 20.0796 20.0796 20.7740 20.7740 20.7966 20.7966 k = 0.4246 0.4193-0.0000 ( 1375 PWs) bands (ev): -2.4072 -2.4072 -1.7720 -1.7720 -0.9501 -0.9501 0.0164 0.0164 0.3593 0.3593 0.7089 0.7089 3.2856 3.2856 3.5336 3.5336 4.9118 4.9118 5.6342 5.6342 5.7375 5.7375 6.7155 6.7155 7.4632 7.4632 8.9629 8.9629 9.2289 9.2289 9.3065 9.3065 19.4170 19.4170 20.1391 20.1391 20.8067 20.8067 20.8886 20.8886 k = 0.4206 0.4261-0.0000 ( 1373 PWs) bands (ev): -2.3665 -2.3665 -1.7337 -1.7337 -0.9144 -0.9144 0.0292 0.0292 0.3955 0.3955 0.7494 0.7494 3.3184 3.3184 3.5299 3.5299 4.8236 4.8236 5.6148 5.6148 5.6335 5.6335 6.5941 6.5941 7.4372 7.4372 8.8235 8.8235 9.2428 9.2428 9.2549 9.2549 19.4437 19.4437 20.1441 20.1441 20.8410 20.8410 21.0443 21.0443 k = 0.4167 0.4330-0.0000 ( 1373 PWs) bands (ev): -2.3237 -2.3237 -1.6936 -1.6936 -0.8771 -0.8771 0.0409 0.0409 0.4330 0.4330 0.7918 0.7918 3.3525 3.3525 3.5223 3.5223 4.7197 4.7197 5.5213 5.5213 5.6130 5.6130 6.4765 6.4765 7.4188 7.4188 8.6817 8.6817 9.2005 9.2005 9.2566 9.2566 19.4713 19.4713 20.1173 20.1173 20.8768 20.8768 21.2410 21.2410 k = 0.4127 0.4399-0.0000 ( 1373 PWs) bands (ev): -2.2789 -2.2789 -1.6518 -1.6518 -0.8383 -0.8383 0.0511 0.0511 0.4718 0.4718 0.8361 0.8361 3.3880 3.3880 3.5101 3.5101 4.6054 4.6054 5.4020 5.4020 5.6243 5.6243 6.3637 6.3637 7.4072 7.4072 8.5381 8.5381 9.1434 9.1434 9.2701 9.2701 19.4997 19.4997 20.0756 20.0756 20.9142 20.9142 21.4614 21.4614 k = 0.4087 0.4468-0.0000 ( 1369 PWs) bands (ev): -2.2321 -2.2321 -1.6083 -1.6083 -0.7981 -0.7981 0.0596 0.0596 0.5118 0.5118 0.8824 0.8824 3.4248 3.4248 3.4925 3.4925 4.4851 4.4851 5.2767 5.2767 5.6449 5.6449 6.2570 6.2570 7.4019 7.4019 8.3926 8.3926 9.0836 9.0836 9.2837 9.2837 19.5287 19.5287 20.0281 20.0281 20.9532 20.9532 21.6963 21.6963 k = 0.4048 0.4536-0.0000 ( 1365 PWs) bands (ev): -2.1833 -2.1833 -1.5632 -1.5632 -0.7564 -0.7564 0.0657 0.0657 0.5528 0.5528 0.9306 0.9306 3.4627 3.4627 3.4685 3.4685 4.3621 4.3621 5.1467 5.1467 5.6723 5.6723 6.1574 6.1574 7.4019 7.4019 8.2464 8.2464 9.0212 9.0212 9.2968 9.2968 19.5582 19.5582 19.9795 19.9795 20.9937 20.9937 21.9406 21.9406 k = 0.4008 0.4605-0.0000 ( 1365 PWs) bands (ev): -2.1326 -2.1326 -1.5165 -1.5165 -0.7135 -0.7135 0.0690 0.0690 0.5946 0.5946 0.9806 0.9806 3.4374 3.4374 3.5017 3.5017 4.2388 4.2388 5.0131 5.0131 5.7048 5.7048 6.0663 6.0663 7.4065 7.4065 8.0995 8.0995 8.9563 8.9563 9.3095 9.3095 19.5880 19.5880 19.9320 19.9320 21.0357 21.0357 22.1915 22.1915 k = 0.3968 0.4674-0.0000 ( 1369 PWs) bands (ev): -2.0799 -2.0799 -1.4683 -1.4683 -0.6695 -0.6695 0.0689 0.0689 0.6371 0.6371 1.0324 1.0324 3.3984 3.3984 3.5416 3.5416 4.1172 4.1172 4.8769 4.8769 5.7412 5.7412 5.9845 5.9845 7.4152 7.4152 7.9523 7.9523 8.8891 8.8891 9.3220 9.3220 19.6180 19.6180 19.8870 19.8870 21.0792 21.0792 22.3261 22.3261 k = 0.3929 0.4743-0.0000 ( 1365 PWs) bands (ev): -2.0252 -2.0252 -1.4187 -1.4187 -0.6243 -0.6243 0.0648 0.0648 0.6801 0.6801 1.0861 1.0861 3.3510 3.3510 3.5824 3.5824 3.9989 3.9989 4.7393 4.7393 5.7807 5.7807 5.9131 5.9131 7.4276 7.4276 7.8053 7.8053 8.8197 8.8197 9.3342 9.3342 19.6479 19.6479 19.8455 19.8455 21.1242 21.1242 22.2829 22.2829 k = 0.3889 0.4811-0.0000 ( 1363 PWs) bands (ev): -1.9687 -1.9687 -1.3678 -1.3678 -0.5782 -0.5782 0.0561 0.0561 0.7234 0.7234 1.1415 1.1415 3.2950 3.2950 3.6239 3.6239 3.8852 3.8852 4.6011 4.6011 5.8225 5.8225 5.8527 5.8527 7.4429 7.4429 7.6589 7.6589 8.7482 8.7482 9.3459 9.3459 19.6774 19.6774 19.8079 19.8079 21.1706 21.1706 22.2183 22.2183 k = 0.3849 0.4880-0.0000 ( 1363 PWs) bands (ev): -1.9103 -1.9103 -1.3158 -1.3158 -0.5315 -0.5315 0.0422 0.0422 0.7665 0.7665 1.1986 1.1986 3.2302 3.2302 3.6658 3.6658 3.7774 3.7774 4.4636 4.4636 5.8035 5.8035 5.8662 5.8662 7.4608 7.4608 7.5135 7.5135 8.6750 8.6750 9.3572 9.3572 19.7062 19.7062 19.7746 19.7746 21.2185 21.2185 22.1414 22.1414 k = 0.3810 0.4949-0.0000 ( 1365 PWs) bands (ev): -1.8500 -1.8500 -1.2627 -1.2627 -0.4842 -0.4842 0.0224 0.0224 0.8091 0.8091 1.2574 1.2574 3.1571 3.1571 3.6765 3.6765 3.7081 3.7081 4.3275 4.3275 5.7659 5.7659 5.9112 5.9112 7.3694 7.3694 7.4810 7.4810 8.6003 8.6003 9.3680 9.3680 19.7340 19.7340 19.7458 19.7458 21.2678 21.2678 22.0582 22.0582 k = 0.3770 0.5017-0.0000 ( 1365 PWs) bands (ev): -1.7881 -1.7881 -1.2087 -1.2087 -0.4366 -0.4366 -0.0040 -0.0040 0.8509 0.8509 1.3177 1.3177 3.0761 3.0761 3.5837 3.5837 3.7503 3.7503 4.1939 4.1939 5.7396 5.7396 5.9573 5.9573 7.2274 7.2274 7.5031 7.5031 8.5244 8.5244 9.3783 9.3783 19.7217 19.7217 19.7603 19.7603 21.3185 21.3185 21.9729 21.9729 k = 0.3730 0.5086-0.0000 ( 1365 PWs) bands (ev): -1.7245 -1.7245 -1.1541 -1.1541 -0.3891 -0.3891 -0.0373 -0.0373 0.8914 0.8914 1.3795 1.3795 2.9883 2.9883 3.4997 3.4997 3.7922 3.7922 4.0638 4.0638 5.7240 5.7240 6.0038 6.0038 7.0878 7.0878 7.5269 7.5269 8.4478 8.4478 9.3880 9.3880 19.7025 19.7025 19.7846 19.7846 21.3705 21.3705 21.8883 21.8883 k = 0.3690 0.5155-0.0000 ( 1365 PWs) bands (ev): -1.6593 -1.6593 -1.0990 -1.0990 -0.3420 -0.3420 -0.0781 -0.0781 0.9301 0.9301 1.4427 1.4427 2.8947 2.8947 3.4254 3.4254 3.8334 3.8334 3.9384 3.9384 5.7187 5.7187 6.0504 6.0504 6.9513 6.9513 7.5521 7.5521 8.3708 8.3708 9.3971 9.3971 19.6882 19.6882 19.8062 19.8062 21.4239 21.4239 21.8064 21.8064 k = 0.3651 0.5224-0.0000 ( 1361 PWs) bands (ev): -1.5927 -1.5927 -1.0439 -1.0439 -0.2958 -0.2958 -0.1266 -0.1266 0.9663 0.9663 1.5073 1.5073 2.7966 2.7966 3.3613 3.3613 3.8188 3.8188 3.8734 3.8734 5.7229 5.7229 6.0965 6.0965 6.8186 6.8186 7.5785 7.5785 8.2941 8.2941 9.4055 9.4055 19.6788 19.6788 19.8247 19.8247 21.4786 21.4786 21.7290 21.7290 k = 0.3611 0.5292-0.0000 ( 1361 PWs) bands (ev): -1.5250 -1.5250 -0.9890 -0.9890 -0.2510 -0.2510 -0.1828 -0.1828 0.9994 0.9994 1.5730 1.5730 2.6955 2.6955 3.3076 3.3076 3.7062 3.7062 3.9118 3.9118 5.7359 5.7359 6.1415 6.1415 6.6904 6.6904 7.6058 7.6058 8.2184 8.2184 9.4131 9.4131 19.6744 19.6744 19.8391 19.8391 21.5344 21.5344 21.6576 21.6576 k = 0.3571 0.5361-0.0000 ( 1359 PWs) bands (ev): -1.4564 -1.4564 -0.9348 -0.9348 -0.2463 -0.2463 -0.2084 -0.2084 1.0287 1.0287 1.6398 1.6398 2.5929 2.5929 3.2649 3.2649 3.6019 3.6019 3.9479 3.9479 5.7568 5.7568 6.1845 6.1845 6.5678 6.5678 7.6339 7.6339 8.1444 8.1444 9.4199 9.4199 19.6748 19.6748 19.8487 19.8487 21.5914 21.5914 21.5936 21.5936 k = 0.3532 0.5430-0.0000 ( 1367 PWs) bands (ev): -1.3877 -1.3877 -0.8819 -0.8819 -0.3166 -0.3166 -0.1687 -0.1687 1.0537 1.0537 1.7074 1.7074 2.4904 2.4904 3.2330 3.2330 3.5075 3.5075 3.9808 3.9808 5.7849 5.7849 6.2246 6.2246 6.4515 6.4515 7.6626 7.6626 8.0733 8.0733 9.4257 9.4257 19.6801 19.6801 19.8528 19.8528 21.5378 21.5378 21.6497 21.6497 k = 0.3492 0.5499-0.0000 ( 1369 PWs) bands (ev): -1.3196 -1.3196 -0.8309 -0.8309 -0.3924 -0.3924 -0.1331 -0.1331 1.0737 1.0737 1.7756 1.7756 2.3900 2.3900 3.2117 3.2117 3.4242 3.4242 4.0097 4.0097 5.8195 5.8195 6.2608 6.2608 6.3430 6.3430 7.6917 7.6917 8.0062 8.0062 9.4307 9.4307 19.6903 19.6903 19.8509 19.8509 21.4914 21.4914 21.7090 21.7090 k = 0.3452 0.5567-0.0000 ( 1365 PWs) bands (ev): -1.2541 -1.2541 -0.7827 -0.7827 -0.4713 -0.4713 -0.1026 -0.1026 1.0884 1.0884 1.8442 1.8442 2.2935 2.2935 3.2008 3.2008 3.3534 3.3534 4.0338 4.0338 5.8602 5.8602 6.2434 6.2434 6.2917 6.2917 7.7211 7.7211 7.9446 7.9446 9.4347 9.4347 19.7052 19.7052 19.8424 19.8424 21.4552 21.4552 21.7693 21.7693 k = 0.3413 0.5636-0.0000 ( 1365 PWs) bands (ev): -1.1947 -1.1947 -0.7383 -0.7383 -0.5495 -0.5495 -0.0789 -0.0789 1.0979 1.0979 1.9128 1.9128 2.2029 2.2029 3.1997 3.1997 3.2960 3.2960 4.0520 4.0520 5.9061 5.9061 6.1542 6.1542 6.3157 6.3157 7.7506 7.7506 7.8901 7.8901 9.4375 9.4375 19.7247 19.7247 19.8273 19.8273 21.4294 21.4294 21.8306 21.8306 k = 0.3373 0.5705-0.0000 ( 1365 PWs) bands (ev): -1.1486 -1.1486 -0.6988 -0.6988 -0.6191 -0.6191 -0.0634 -0.0634 1.1028 1.1028 1.9809 1.9809 2.1203 2.1203 3.2078 3.2078 3.2530 3.2530 4.0634 4.0634 5.9570 5.9570 6.0767 6.0767 6.3312 6.3312 7.7802 7.7802 7.8445 7.8445 9.4394 9.4394 19.7489 19.7489 19.8055 19.8055 21.4141 21.4141 21.8927 21.8927 k = 0.3333 0.5774-0.0000 ( 1365 PWs) bands (ev): -1.1294 -1.1294 -0.6663 -0.6663 -0.6653 -0.6653 -0.0579 -0.0579 1.1040 1.1040 2.0471 2.0471 2.0490 2.0490 3.2245 3.2245 3.2249 3.2249 4.0674 4.0674 6.0120 6.0120 6.0126 6.0126 6.3367 6.3367 7.8091 7.8091 7.8100 7.8100 9.4400 9.4400 19.7766 19.7766 19.7785 19.7785 21.4091 21.4091 21.9548 21.9562 k = 0.3333 0.5774-0.0000 ( 1365 PWs) bands (ev): -1.1294 -1.1294 -0.6663 -0.6663 -0.6653 -0.6653 -0.0579 -0.0579 1.1040 1.1040 2.0471 2.0471 2.0490 2.0490 3.2245 3.2245 3.2249 3.2249 4.0674 4.0674 6.0120 6.0120 6.0126 6.0126 6.3367 6.3367 7.8091 7.8091 7.8100 7.8100 9.4400 9.4400 19.7766 19.7766 19.7785 19.7785 21.4091 21.4091 21.9549 21.9563 k = 0.3294 0.5705-0.0000 ( 1365 PWs) bands (ev): -1.1523 -1.1523 -0.6739 -0.6739 -0.6407 -0.6407 -0.0639 -0.0639 1.1034 1.1034 1.9881 1.9881 2.1136 2.1136 3.2110 3.2110 3.2496 3.2496 4.0634 4.0634 5.9621 5.9621 6.0718 6.0718 6.3309 6.3309 7.7866 7.7866 7.8385 7.8385 9.4394 9.4394 19.7441 19.7441 19.8105 19.8105 21.4139 21.4139 21.8934 21.8934 k = 0.3254 0.5636-0.0000 ( 1361 PWs) bands (ev): -1.2172 -1.2172 -0.6427 -0.6427 -0.6252 -0.6252 -0.0830 -0.0830 1.1032 1.1032 1.9422 1.9422 2.1765 2.1765 3.2114 3.2114 3.2819 3.2819 4.0519 4.0519 5.9267 5.9267 6.1350 6.1350 6.3129 6.3129 7.7766 7.7766 7.8671 7.8671 9.4375 9.4375 19.7062 19.7062 19.8477 19.8477 21.4276 21.4276 21.8335 21.8335 k = 0.3214 0.5567-0.0000 ( 1365 PWs) bands (ev): -1.3105 -1.3105 -0.6210 -0.6210 -0.5853 -0.5853 -0.1159 -0.1159 1.1059 1.1059 1.9116 1.9116 2.2357 2.2357 3.2251 3.2251 3.3209 3.3209 4.0338 4.0338 5.9062 5.9062 6.2017 6.2017 6.2826 6.2826 7.7799 7.7799 7.8951 7.8951 9.4342 9.4342 19.6646 19.6646 19.8890 19.8890 21.4494 21.4494 21.7760 21.7760 k = 0.3175 0.5499-0.0000 ( 1365 PWs) bands (ev): -1.4203 -1.4203 -0.6294 -0.6294 -0.5132 -0.5132 -0.1630 -0.1630 1.1139 1.1139 1.8967 1.8967 2.2899 2.2899 3.2511 3.2511 3.3660 3.3660 4.0110 4.0110 5.9003 5.9003 6.2406 6.2406 6.2718 6.2718 7.7961 7.7961 7.9224 7.9224 9.4297 9.4297 19.6204 19.6204 19.9342 19.9342 21.4783 21.4783 21.7212 21.7212 k = 0.3135 0.5430-0.0000 ( 1369 PWs) bands (ev): -1.5397 -1.5397 -0.6513 -0.6513 -0.4324 -0.4324 -0.2239 -0.2239 1.1293 1.1293 1.8975 1.8975 2.3374 2.3374 3.2880 3.2880 3.4169 3.4169 3.9859 3.9859 5.9081 5.9081 6.1883 6.1883 6.3448 6.3448 7.8240 7.8240 7.9489 7.9489 9.4237 9.4237 19.5746 19.5746 19.9832 19.9832 21.5135 21.5135 21.6692 21.6692 k = 0.3095 0.5361-0.0000 ( 1369 PWs) bands (ev): -1.6654 -1.6654 -0.6869 -0.6869 -0.3462 -0.3462 -0.2974 -0.2974 1.1538 1.1538 1.9130 1.9130 2.3760 2.3760 3.3349 3.3349 3.4726 3.4726 3.9619 3.9619 5.9286 5.9286 6.1270 6.1270 6.4207 6.4207 7.8626 7.8626 7.9745 7.9745 9.4163 9.4163 19.5280 19.5280 20.0359 20.0359 21.5542 21.5542 21.6201 21.6201 k = 0.3056 0.5292-0.0000 ( 1369 PWs) bands (ev): -1.7953 -1.7953 -0.7361 -0.7361 -0.3822 -0.3822 -0.2560 -0.2560 1.1881 1.1881 1.9422 1.9422 2.4037 2.4037 3.3906 3.3906 3.5327 3.5327 3.9424 3.9424 5.9602 5.9602 6.0585 6.0585 6.4993 6.4993 7.9103 7.9103 7.9991 7.9991 9.4075 9.4075 19.4814 19.4814 20.0920 20.0920 21.5739 21.5739 21.5997 21.5997 k = 0.3016 0.5224-0.0000 ( 1371 PWs) bands (ev): -1.9282 -1.9282 -0.7979 -0.7979 -0.4767 -0.4767 -0.1627 -0.1627 1.2323 1.2323 1.9834 1.9834 2.4182 2.4182 3.4540 3.4540 3.5967 3.5967 3.9310 3.9310 5.9843 5.9843 6.0019 6.0019 6.5804 6.5804 7.9658 7.9658 8.0225 8.0225 9.3973 9.3973 19.4354 19.4354 20.1516 20.1516 21.5308 21.5308 21.6493 21.6493 k = 0.2976 0.5155-0.0000 ( 1365 PWs) bands (ev): -2.0632 -2.0632 -0.8710 -0.8710 -0.5792 -0.5792 -0.0670 -0.0670 1.2863 1.2863 2.0352 2.0352 2.4178 2.4178 3.5243 3.5243 3.6641 3.6641 3.9305 3.9305 5.9062 5.9062 6.0520 6.0520 6.6638 6.6638 8.0279 8.0279 8.0447 8.0447 9.3855 9.3855 19.3908 19.3908 20.2143 20.2143 21.4909 21.4909 21.7024 21.7024 k = 0.2937 0.5086-0.0000 ( 1369 PWs) bands (ev): -2.1997 -2.1997 -0.9539 -0.9539 -0.6883 -0.6883 0.0307 0.0307 1.3491 1.3491 2.0963 2.0963 2.4017 2.4017 3.6005 3.6005 3.7341 3.7341 3.9433 3.9433 5.8255 5.8255 6.1097 6.1097 6.7495 6.7495 8.0656 8.0656 8.0956 8.0956 9.3723 9.3723 19.3479 19.3479 20.2799 20.2799 21.4540 21.4540 21.7585 21.7585 k = 0.2897 0.5017-0.0000 ( 1369 PWs) bands (ev): -2.3371 -2.3371 -1.0452 -1.0452 -0.8026 -0.8026 0.1302 0.1302 1.4201 1.4201 2.1654 2.1654 2.3697 2.3697 3.6821 3.6821 3.8060 3.8060 3.9700 3.9700 5.7437 5.7437 6.1740 6.1740 6.8374 6.8374 8.0850 8.0850 8.1680 8.1680 9.3577 9.3577 19.3071 19.3071 20.3483 20.3483 21.4204 21.4204 21.8172 21.8172 k = 0.2857 0.4949-0.0000 ( 1365 PWs) bands (ev): -2.4751 -2.4751 -1.1435 -1.1435 -0.9211 -0.9211 0.2312 0.2312 1.4985 1.4985 2.2415 2.2415 2.3230 2.3230 3.7685 3.7685 3.8793 3.8793 4.0106 4.0106 5.6621 5.6621 6.2440 6.2440 6.9272 6.9272 8.1029 8.1029 8.2444 8.2444 9.3416 9.3416 19.2687 19.2687 20.4192 20.4192 21.3899 21.3899 21.8782 21.8782 k = 0.2817 0.4880-0.0000 ( 1365 PWs) bands (ev): -2.6134 -2.6134 -1.2474 -1.2474 -1.0426 -1.0426 0.3334 0.3334 1.5833 1.5833 2.2633 2.2633 2.3238 2.3238 3.8592 3.8592 3.9526 3.9526 4.0641 4.0641 5.5823 5.5823 6.3189 6.3189 7.0190 7.0190 8.1192 8.1192 8.3242 8.3242 9.3241 9.3241 19.2332 19.2332 20.4923 20.4923 21.3624 21.3624 21.9410 21.9410 k = 0.2778 0.4811-0.0000 ( 1365 PWs) bands (ev): -2.7516 -2.7516 -1.3559 -1.3559 -1.1665 -1.1665 0.4367 0.4367 1.6739 1.6739 2.1925 2.1925 2.4114 2.4114 3.9538 3.9538 4.0249 4.0249 4.1288 4.1288 5.5061 5.5061 6.3983 6.3983 7.1126 7.1126 8.1338 8.1338 8.4069 8.4069 9.3052 9.3052 19.2005 19.2005 20.5676 20.5676 21.3381 21.3381 22.0053 22.0053 k = 0.2738 0.4743-0.0000 ( 1365 PWs) bands (ev): -2.8896 -2.8896 -1.4680 -1.4680 -1.2922 -1.2922 0.5408 0.5408 1.7697 1.7697 2.1127 2.1127 2.5039 2.5039 4.0518 4.0518 4.0943 4.0943 4.2035 4.2035 5.4356 5.4356 6.4816 6.4816 7.2079 7.2079 8.1467 8.1467 8.4921 8.4921 9.2850 9.2850 19.1710 19.1710 20.6445 20.6445 21.3167 21.3167 22.0709 22.0709 k = 0.2698 0.4674-0.0000 ( 1361 PWs) bands (ev): -3.0271 -3.0271 -1.5829 -1.5829 -1.4189 -1.4189 0.6456 0.6456 1.8702 1.8702 2.0259 2.0259 2.6006 2.6006 4.1529 4.1529 4.1587 4.1587 4.2865 4.2865 5.3736 5.3736 6.5684 6.5684 7.3048 7.3048 8.1578 8.1578 8.5796 8.5796 9.2635 9.2635 19.1448 19.1448 20.7230 20.7230 21.2983 21.2983 22.1376 22.1376 k = 0.2659 0.4605-0.0000 ( 1365 PWs) bands (ev): -3.1640 -3.1640 -1.6999 -1.6999 -1.5464 -1.5464 0.7506 0.7506 1.9334 1.9334 1.9749 1.9749 2.7012 2.7012 4.2149 4.2149 4.2570 4.2570 4.3766 4.3766 5.3232 5.3232 6.6583 6.6583 7.4031 7.4031 8.1670 8.1670 8.6688 8.6688 9.2404 9.2404 19.1218 19.1218 20.8024 20.8024 21.2827 21.2827 22.2049 22.2049 k = 0.2619 0.4536-0.0000 ( 1361 PWs) bands (ev): -3.3002 -3.3002 -1.8184 -1.8184 -1.6741 -1.6741 0.8557 0.8557 1.8366 1.8366 2.0834 2.0834 2.8053 2.8053 4.2596 4.2596 4.3638 4.3638 4.4728 4.4728 5.2885 5.2885 6.7512 6.7512 7.5028 7.5028 8.1744 8.1744 8.7598 8.7598 9.2166 9.2166 19.1023 19.1023 20.8825 20.8825 21.2699 21.2699 22.2728 22.2728 k = 0.2579 0.4468-0.0000 ( 1361 PWs) bands (ev): -3.4354 -3.4354 -1.9379 -1.9379 -1.8019 -1.8019 0.9603 0.9603 1.7367 1.7367 2.1955 2.1955 2.9127 2.9127 4.2892 4.2892 4.4730 4.4730 4.5742 4.5742 5.2734 5.2734 6.8466 6.8466 7.6037 7.6037 8.1800 8.1800 8.8522 8.8522 9.1918 9.1918 19.0862 19.0862 20.9628 20.9628 21.2597 21.2597 22.3410 22.3410 k = 0.2540 0.4399-0.0000 ( 1357 PWs) bands (ev): -3.5695 -3.5695 -2.0580 -2.0580 -1.9294 -1.9294 1.0642 1.0642 1.6344 1.6344 2.3109 2.3109 3.0231 3.0231 4.3016 4.3016 4.5845 4.5845 4.6802 4.6802 5.2806 5.2806 6.9443 6.9443 7.7056 7.7056 8.1836 8.1836 8.9458 8.9458 9.1662 9.1662 19.0734 19.0734 21.0427 21.0427 21.2519 21.2519 22.4092 22.4092 k = 0.2500 0.4330-0.0000 ( 1351 PWs) bands (ev): -3.7025 -3.7025 -2.1785 -2.1785 -2.0563 -2.0563 1.1667 1.1667 1.5305 1.5305 2.4294 2.4294 3.1363 3.1363 4.2969 4.2969 4.6980 4.6980 4.7902 4.7902 5.3105 5.3105 7.0444 7.0444 7.8084 7.8084 8.1854 8.1854 9.0404 9.0404 9.1400 9.1400 19.0639 19.0639 21.1216 21.1216 21.2466 21.2466 22.4773 22.4773 k = 0.2460 0.4261-0.0000 ( 1351 PWs) bands (ev): -3.8343 -3.8343 -2.2989 -2.2989 -2.1826 -2.1826 1.2672 1.2672 1.4254 1.4254 2.5507 2.5507 3.2521 3.2521 4.2779 4.2779 4.8135 4.8135 4.9036 4.9036 5.3609 5.3609 7.1463 7.1463 7.9117 7.9117 8.1854 8.1854 9.1134 9.1134 9.1359 9.1359 19.0577 19.0577 21.1986 21.1986 21.2433 21.2433 22.5448 22.5448 k = 0.2421 0.4193-0.0000 ( 1355 PWs) bands (ev): -3.9648 -3.9648 -2.4191 -2.4191 -2.3081 -2.3081 1.3196 1.3196 1.3650 1.3650 2.6747 2.6747 3.3703 3.3703 4.2487 4.2487 4.9307 4.9307 5.0204 5.0204 5.4284 5.4284 7.2501 7.2501 8.0152 8.0152 8.1834 8.1834 9.0868 9.0868 9.2322 9.2322 19.0545 19.0545 21.2420 21.2420 21.2729 21.2729 22.6118 22.6118 k = 0.2381 0.4124-0.0000 ( 1355 PWs) bands (ev): -4.0938 -4.0938 -2.5387 -2.5387 -2.4325 -2.4325 1.2137 1.2137 1.4592 1.4592 2.8012 2.8012 3.4907 3.4907 4.2141 4.2141 5.0494 5.0494 5.1400 5.1400 5.5094 5.5094 7.3557 7.3557 8.1184 8.1184 8.1797 8.1797 9.0609 9.0609 9.3290 9.3290 19.0543 19.0543 21.2426 21.2426 21.3432 21.3432 22.6778 22.6778 k = 0.2341 0.4055-0.0000 ( 1355 PWs) bands (ev): -4.2214 -4.2214 -2.6577 -2.6577 -2.5558 -2.5558 1.1078 1.1078 1.5488 1.5488 2.9301 2.9301 3.6134 3.6134 4.1780 4.1780 5.1697 5.1697 5.2623 5.2623 5.6008 5.6008 7.4628 7.4628 8.1741 8.1741 8.2205 8.2205 9.0364 9.0364 9.4262 9.4262 19.0569 19.0569 21.2448 21.2448 21.4082 21.4082 22.7422 22.7423 k = 0.2302 0.3986-0.0000 ( 1353 PWs) bands (ev): -4.3474 -4.3474 -2.7758 -2.7758 -2.6779 -2.6779 1.0022 1.0022 1.6325 1.6325 3.0614 3.0614 3.7380 3.7380 4.1441 4.1441 5.2914 5.2914 5.3870 5.3870 5.7004 5.7004 7.5715 7.5715 8.1669 8.1669 8.3199 8.3199 9.0150 9.0150 9.5239 9.5239 19.0621 19.0621 21.2486 21.2486 21.4664 21.4664 22.6823 22.6823 k = 0.2262 0.3918-0.0000 ( 1353 PWs) bands (ev): -4.4718 -4.4718 -2.8930 -2.8930 -2.7986 -2.7986 0.8972 0.8972 1.7090 1.7090 3.1947 3.1947 3.8646 3.8646 4.1154 4.1154 5.4142 5.4142 5.5140 5.5140 5.8061 5.8061 7.6814 7.6814 8.1579 8.1579 8.4141 8.4141 8.9989 8.9989 9.6218 9.6218 19.0696 19.0696 21.2536 21.2536 21.5156 21.5156 22.6050 22.6050 k = 0.2222 0.3849-0.0000 ( 1357 PWs) bands (ev): -4.5946 -4.5946 -3.0091 -3.0091 -2.9180 -2.9180 0.7929 0.7929 1.7769 1.7769 3.3302 3.3302 3.9929 3.9929 4.0946 4.0946 5.5382 5.5382 5.6431 5.6431 5.9169 5.9169 7.7927 7.7927 8.1474 8.1474 8.4988 8.4988 8.9928 8.9928 9.7198 9.7198 19.0791 19.0791 21.2596 21.2596 21.5537 21.5537 22.5226 22.5226 k = 0.2183 0.3780-0.0000 ( 1357 PWs) bands (ev): -4.7157 -4.7157 -3.1239 -3.1239 -3.0358 -3.0358 0.6894 0.6894 1.8347 1.8347 3.4676 3.4676 4.0839 4.0839 4.1228 4.1228 5.6631 5.6631 5.7742 5.7742 6.0318 6.0318 7.9051 7.9051 8.1354 8.1354 8.5671 8.5671 9.0036 9.0036 9.8177 9.8177 19.0906 19.0906 21.2665 21.2665 21.5790 21.5790 22.4368 22.4368 k = 0.2143 0.3712-0.0000 ( 1357 PWs) bands (ev): -4.8350 -4.8350 -3.2374 -3.2374 -3.1520 -3.1520 0.5870 0.5870 1.8811 1.8811 3.6068 3.6068 4.0853 4.0853 4.2542 4.2542 5.7888 5.7888 5.9072 5.9072 6.1501 6.1501 8.0185 8.0185 8.1221 8.1221 8.6114 8.6114 9.0389 9.0389 9.9155 9.9155 19.1038 19.1038 21.2740 21.2740 21.5897 21.5897 22.3485 22.3485 k = 0.2103 0.3643-0.0000 ( 1353 PWs) bands (ev): -4.9525 -4.9525 -3.3495 -3.3495 -3.2666 -3.2666 0.4856 0.4856 1.9152 1.9152 3.7479 3.7479 4.1004 4.1004 4.3871 4.3871 5.9152 5.9152 6.0418 6.0418 6.2714 6.2714 8.1074 8.1074 8.1331 8.1331 8.6299 8.6299 9.1006 9.1006 10.0131 10.0131 19.1183 19.1183 21.2821 21.2821 21.5849 21.5849 22.2585 22.2585 k = 0.2063 0.3574-0.0000 ( 1351 PWs) bands (ev): -5.0682 -5.0682 -3.4602 -3.4602 -3.3796 -3.3796 0.3855 0.3855 1.9364 1.9364 3.8907 3.8907 4.1300 4.1300 4.5212 4.5212 6.0421 6.0421 6.1782 6.1782 6.3952 6.3952 8.0918 8.0918 8.2483 8.2483 8.6283 8.6283 9.1831 9.1831 10.1103 10.1103 19.1338 19.1338 21.2904 21.2904 21.5646 21.5646 22.1674 22.1674 k = 0.2024 0.3505-0.0000 ( 1347 PWs) bands (ev): -5.1820 -5.1820 -3.5692 -3.5692 -3.4908 -3.4908 0.2867 0.2867 1.9446 1.9446 4.0350 4.0350 4.1744 4.1744 4.6563 4.6563 6.1695 6.1695 6.3160 6.3160 6.5212 6.5212 8.0753 8.0753 8.3643 8.3643 8.6141 8.6141 9.2789 9.2789 10.2071 10.2071 19.1500 19.1500 21.2989 21.2989 21.5299 21.5299 22.0760 22.0760 k = 0.1984 0.3437-0.0000 ( 1347 PWs) bands (ev): -5.2939 -5.2939 -3.6767 -3.6767 -3.6002 -3.6002 0.1892 0.1892 1.9406 1.9406 4.1808 4.1808 4.2331 4.2331 4.7924 4.7924 6.2970 6.2970 6.4553 6.4553 6.6491 6.6491 8.0579 8.0579 8.4811 8.4811 8.5928 8.5928 9.3827 9.3827 10.3034 10.3034 19.1667 19.1667 21.3072 21.3072 21.4826 21.4826 21.9845 21.9845 k = 0.1944 0.3368-0.0000 ( 1347 PWs) bands (ev): -5.4039 -5.4039 -3.7825 -3.7825 -3.7078 -3.7078 0.0932 0.0932 1.9252 1.9252 4.3054 4.3054 4.3280 4.3280 4.9293 4.9293 6.4246 6.4246 6.5960 6.5960 6.7786 6.7786 8.0401 8.0401 8.5675 8.5675 8.5985 8.5985 9.4914 9.4914 10.3991 10.3991 19.1834 19.1834 21.3154 21.3154 21.4250 21.4250 21.8933 21.8933 k = 0.1905 0.3299-0.0000 ( 1347 PWs) bands (ev): -5.5119 -5.5119 -3.8866 -3.8866 -3.8136 -3.8136 -0.0013 -0.0013 1.8998 1.8998 4.3901 4.3901 4.4764 4.4764 5.0667 5.0667 6.5519 6.5519 6.7379 6.7379 6.9097 6.9097 8.0220 8.0220 8.5402 8.5402 8.7163 8.7163 9.6033 9.6033 10.4940 10.4940 19.2001 19.2001 21.3231 21.3231 21.3592 21.3592 21.8026 21.8026 k = 0.1865 0.3230-0.0000 ( 1343 PWs) bands (ev): -5.6180 -5.6180 -3.9889 -3.9889 -3.9175 -3.9175 -0.0943 -0.0943 1.8658 1.8658 4.4858 4.4858 4.6259 4.6259 5.2044 5.2044 6.6786 6.6786 6.8811 6.8811 7.0420 7.0420 8.0041 8.0041 8.5121 8.5121 8.8349 8.8349 9.7177 9.7177 10.5881 10.5881 19.2164 19.2164 21.2870 21.2870 21.3305 21.3305 21.7129 21.7129 k = 0.1825 0.3162-0.0000 ( 1343 PWs) bands (ev): -5.7221 -5.7221 -4.0895 -4.0895 -4.0195 -4.0195 -0.1856 -0.1856 1.8246 1.8246 4.5913 4.5913 4.7763 4.7763 5.3421 5.3421 6.8044 6.8044 7.0253 7.0253 7.1754 7.1754 7.9867 7.9867 8.4840 8.4840 8.9536 8.9536 9.8332 9.8332 10.6813 10.6813 19.2319 19.2319 21.2103 21.2103 21.3371 21.3371 21.6241 21.6241 k = 0.1786 0.3093-0.0000 ( 1349 PWs) bands (ev): -5.8241 -5.8241 -4.1882 -4.1882 -4.1195 -4.1195 -0.2753 -0.2753 1.7774 1.7774 4.7052 4.7052 4.9276 4.9276 5.4795 5.4795 6.9287 6.9287 7.1704 7.1704 7.3098 7.3098 7.9705 7.9705 8.4565 8.4565 9.0725 9.0725 9.9495 9.9495 10.7734 10.7734 19.2464 19.2464 21.1301 21.1301 21.3429 21.3429 21.5366 21.5366 k = 0.1746 0.3024-0.0000 ( 1349 PWs) bands (ev): -5.9241 -5.9241 -4.2850 -4.2850 -4.2176 -4.2176 -0.3634 -0.3634 1.7256 1.7256 4.8264 4.8264 5.0794 5.0794 5.6163 5.6163 7.0507 7.0507 7.3165 7.3165 7.4450 7.4450 7.9566 7.9566 8.4304 8.4304 9.1916 9.1916 10.0667 10.0667 10.8646 10.8646 19.2600 19.2600 21.0477 21.0477 21.3481 21.3481 21.4503 21.4503 k = 0.1706 0.2955-0.0000 ( 1357 PWs) bands (ev): -6.0221 -6.0221 -4.3800 -4.3800 -4.3137 -4.3137 -0.4497 -0.4497 1.6701 1.6701 4.9540 4.9540 5.2316 5.2316 5.7519 5.7519 7.1692 7.1692 7.4633 7.4633 7.5809 7.5809 7.9461 7.9461 8.4064 8.4064 9.3108 9.3108 10.1843 10.1843 10.9545 10.9545 19.2721 19.2721 20.9636 20.9636 21.3524 21.3524 21.3654 21.3654 k = 0.1667 0.2887-0.0000 ( 1349 PWs) bands (ev): -6.1180 -6.1180 -4.4730 -4.4730 -4.4078 -4.4078 -0.5343 -0.5343 1.6117 1.6117 5.0872 5.0872 5.3839 5.3839 5.8859 5.8859 7.2823 7.2823 7.6110 7.6110 7.7175 7.7175 7.9413 7.9413 8.3850 8.3850 9.4302 9.4302 10.3023 10.3023 11.0436 11.0436 19.2830 19.2830 20.8789 20.8789 21.2822 21.2822 21.3559 21.3559 k = 0.1627 0.2818-0.0000 ( 1353 PWs) bands (ev): -6.2117 -6.2117 -4.5640 -4.5640 -4.4999 -4.4999 -0.6172 -0.6172 1.5512 1.5512 5.2249 5.2249 5.5358 5.5358 6.0174 6.0174 7.3866 7.3866 7.7591 7.7591 7.8543 7.8543 7.9457 7.9457 8.3671 8.3671 9.5493 9.5493 10.4202 10.4202 11.1310 11.1310 19.2923 19.2923 20.7938 20.7938 21.2005 21.2005 21.3585 21.3585 k = 0.1587 0.2749-0.0000 ( 1349 PWs) bands (ev): -6.3034 -6.3034 -4.6531 -4.6531 -4.5899 -4.5899 -0.6982 -0.6982 1.4892 1.4892 5.3668 5.3668 5.6871 5.6871 6.1459 6.1459 7.4775 7.4775 7.9078 7.9078 7.9644 7.9644 7.9915 7.9915 8.3534 8.3534 9.6684 9.6684 10.5380 10.5380 11.2172 11.2172 19.3001 19.3001 20.7087 20.7087 21.1205 21.1205 21.3602 21.3602 k = 0.1548 0.2681-0.0000 ( 1349 PWs) bands (ev): -6.3929 -6.3929 -4.7401 -4.7401 -4.6779 -4.6779 -0.7774 -0.7774 1.4263 1.4263 5.5122 5.5122 5.8369 5.8369 6.2702 6.2702 7.5493 7.5493 8.0034 8.0034 8.0567 8.0567 8.1287 8.1287 8.3450 8.3450 9.7872 9.7872 10.6555 10.6555 11.3019 11.3019 19.3064 19.3064 20.6240 20.6240 21.0421 21.0421 21.3610 21.3610 k = 0.1508 0.2612-0.0000 ( 1343 PWs) bands (ev): -6.4803 -6.4803 -4.8251 -4.8251 -4.7637 -4.7637 -0.8548 -0.8548 1.3628 1.3628 5.6609 5.6609 5.9847 5.9847 6.3891 6.3891 7.5996 7.5996 8.0659 8.0659 8.2057 8.2057 8.2658 8.2658 8.3431 8.3431 9.9058 9.9058 10.7726 10.7726 11.3852 11.3852 19.3110 19.3110 20.5399 20.5399 20.9655 20.9655 21.3611 21.3611 k = 0.1468 0.2543-0.0000 ( 1343 PWs) bands (ev): -6.5655 -6.5655 -4.9081 -4.9081 -4.8475 -4.8475 -0.9303 -0.9303 1.2992 1.2992 5.8121 5.8121 6.1292 6.1292 6.5014 6.5014 7.6322 7.6322 8.1488 8.1488 8.3487 8.3487 8.3548 8.3548 8.4027 8.4027 10.0240 10.0240 10.8891 10.8891 11.4669 11.4669 19.3141 19.3141 20.4566 20.4566 20.8906 20.8906 21.3603 21.3603 k = 0.1429 0.2474-0.0000 ( 1343 PWs) bands (ev): -6.6486 -6.6486 -4.9890 -4.9890 -4.9292 -4.9292 -1.0040 -1.0040 1.2356 1.2356 5.9657 5.9657 6.2691 6.2691 6.6057 6.6057 7.6546 7.6546 8.2459 8.2459 8.3638 8.3638 8.5035 8.5035 8.5392 8.5392 10.1419 10.1419 11.0050 11.0050 11.5471 11.5471 19.3157 19.3157 20.3743 20.3743 20.8174 20.8174 21.3588 21.3588 k = 0.1389 0.2406-0.0000 ( 1345 PWs) bands (ev): -6.7295 -6.7295 -5.0679 -5.0679 -5.0087 -5.0087 -1.0758 -1.0758 1.1724 1.1724 6.1212 6.1212 6.4027 6.4027 6.7005 6.7005 7.6743 7.6743 8.3515 8.3515 8.3893 8.3893 8.6521 8.6521 8.6752 8.6752 10.2594 10.2594 11.1199 11.1199 11.6257 11.6257 19.3159 19.3159 20.2931 20.2931 20.7460 20.7460 21.3004 21.3004 k = 0.1349 0.2337-0.0000 ( 1343 PWs) bands (ev): -6.8082 -6.8082 -5.1447 -5.1447 -5.0861 -5.0861 -1.1456 -1.1456 1.1098 1.1098 6.2785 6.2785 6.5276 6.5276 6.7845 6.7845 7.6971 7.6971 8.4267 8.4267 8.4619 8.4619 8.8001 8.8001 8.8106 8.8106 10.3764 10.3764 11.2339 11.2339 11.7027 11.7027 19.3145 19.3145 20.2130 20.2130 20.6764 20.6764 21.2397 21.2397 k = 0.1310 0.2268-0.0000 ( 1347 PWs) bands (ev): -6.8848 -6.8848 -5.2193 -5.2193 -5.1614 -5.1614 -1.2136 -1.2136 1.0480 1.0480 6.4372 6.4372 6.6408 6.6408 6.8565 6.8565 7.7282 7.7282 8.4770 8.4770 8.5747 8.5747 8.9450 8.9450 8.9475 8.9475 10.4928 10.4928 11.3468 11.3468 11.7780 11.7780 19.3120 19.3120 20.1342 20.1342 20.6084 20.6084 21.1814 21.1814 k = 0.1270 0.2199-0.0000 ( 1347 PWs) bands (ev): -6.9591 -6.9591 -5.2919 -5.2919 -5.2345 -5.2345 -1.2796 -1.2796 0.9871 0.9871 6.5971 6.5971 6.7392 6.7392 6.9162 6.9162 7.7719 7.7719 8.5406 8.5406 8.6885 8.6885 9.0783 9.0783 9.0939 9.0939 10.6089 10.6089 11.4584 11.4584 11.8517 11.8517 19.3082 19.3082 20.0569 20.0569 20.5422 20.5422 21.1255 21.1255 k = 0.1230 0.2131-0.0000 ( 1347 PWs) bands (ev): -7.0312 -7.0312 -5.3623 -5.3623 -5.3055 -5.3055 -1.3436 -1.3436 0.9274 0.9274 6.7579 6.7579 6.8200 6.8200 6.9637 6.9637 7.8314 7.8314 8.6173 8.6173 8.8025 8.8025 9.2104 9.2104 9.2390 9.2390 10.7244 10.7244 11.5686 11.5686 11.9236 11.9236 19.3033 19.3033 19.9811 19.9811 20.4776 20.4776 21.0721 21.0721 k = 0.1190 0.2062-0.0000 ( 1347 PWs) bands (ev): -7.1011 -7.1011 -5.4305 -5.4305 -5.3742 -5.3742 -1.4057 -1.4057 0.8688 0.8688 6.8823 6.8823 6.9195 6.9195 6.9996 6.9996 7.9083 7.9083 8.7062 8.7062 8.9161 8.9161 9.3411 9.3411 9.3826 9.3826 10.8394 10.8394 11.6772 11.6772 11.9939 11.9939 19.2973 19.2973 19.9068 19.9068 20.4147 20.4147 21.0210 21.0210 k = 0.1151 0.1993-0.0000 ( 1343 PWs) bands (ev): -7.1687 -7.1687 -5.4966 -5.4966 -5.4408 -5.4408 -1.4659 -1.4659 0.8116 0.8116 6.9267 6.9267 7.0253 7.0253 7.0815 7.0815 8.0020 8.0020 8.8061 8.8061 9.0290 9.0290 9.4700 9.4700 9.5245 9.5245 10.9540 10.9540 11.7841 11.7841 12.0626 12.0626 19.2902 19.2902 19.8342 19.8342 20.3534 20.3534 20.9723 20.9723 k = 0.1111 0.1925-0.0000 ( 1345 PWs) bands (ev): -7.2342 -7.2342 -5.5606 -5.5606 -5.5052 -5.5052 -1.5241 -1.5241 0.7557 0.7557 6.9556 6.9556 7.0422 7.0422 7.2439 7.2439 8.1100 8.1100 8.9153 8.9153 9.1408 9.1408 9.5971 9.5971 9.6642 9.6642 11.0681 11.0681 11.8891 11.8891 12.1296 12.1296 19.2821 19.2821 19.7631 19.7631 20.2935 20.2935 20.9260 20.9260 k = 0.1071 0.1856-0.0000 ( 1341 PWs) bands (ev): -7.2973 -7.2973 -5.6223 -5.6223 -5.5674 -5.5674 -1.5803 -1.5803 0.7014 0.7014 6.9721 6.9721 7.0515 7.0515 7.4061 7.4061 8.2293 8.2293 9.0324 9.0324 9.2515 9.2515 9.7221 9.7221 9.8017 9.8017 11.1821 11.1821 11.9921 11.9921 12.1949 12.1949 19.2730 19.2730 19.6938 19.6938 20.2351 20.2351 20.8822 20.8822 k = 0.1032 0.1787-0.0000 ( 1341 PWs) bands (ev): -7.3583 -7.3583 -5.6819 -5.6819 -5.6274 -5.6274 -1.6345 -1.6345 0.6486 0.6486 6.9792 6.9792 7.0549 7.0549 7.5680 7.5680 8.3566 8.3566 9.1558 9.1558 9.3609 9.3609 9.8446 9.8446 9.9363 9.9363 11.2954 11.2954 12.0928 12.0928 12.2586 12.2586 19.2628 19.2628 19.6262 19.6262 20.1782 20.1782 20.8407 20.8407 k = 0.0992 0.1718-0.0000 ( 1345 PWs) bands (ev): -7.4169 -7.4169 -5.7393 -5.7393 -5.6852 -5.6852 -1.6867 -1.6867 0.5974 0.5974 6.9793 6.9793 7.0534 7.0534 7.7294 7.7294 8.4891 8.4891 9.2841 9.2841 9.4690 9.4690 9.9646 9.9646 10.0678 10.0678 11.4084 11.4084 12.1912 12.1912 12.3206 12.3206 19.2515 19.2515 19.5604 19.5604 20.1226 20.1226 20.8015 20.8015 k = 0.0952 0.1650-0.0000 ( 1347 PWs) bands (ev): -7.4733 -7.4733 -5.7945 -5.7945 -5.7407 -5.7407 -1.7369 -1.7369 0.5479 0.5479 6.9745 6.9745 7.0481 7.0481 7.8899 7.8899 8.6247 8.6247 9.4161 9.4161 9.5758 9.5758 10.0817 10.0817 10.1959 10.1959 11.5210 11.5210 12.2869 12.2869 12.3810 12.3810 19.2390 19.2390 19.4963 19.4963 20.0682 20.0682 20.7650 20.7650 k = 0.0913 0.1581-0.0000 ( 1343 PWs) bands (ev): -7.5275 -7.5275 -5.8475 -5.8475 -5.7940 -5.7940 -1.7851 -1.7851 0.5001 0.5001 6.9661 6.9661 7.0399 7.0399 8.0495 8.0495 8.7616 8.7616 9.5509 9.5509 9.6815 9.6815 10.1958 10.1958 10.3202 10.3202 11.6334 11.6334 12.3799 12.3799 12.4400 12.4400 19.2253 19.2253 19.4343 19.4343 20.0151 20.0151 20.7310 20.7310 k = 0.0873 0.1512-0.0000 ( 1345 PWs) bands (ev): -7.5794 -7.5794 -5.8983 -5.8983 -5.8451 -5.8451 -1.8313 -1.8313 0.4541 0.4541 6.9552 6.9552 7.0295 7.0295 8.2078 8.2078 8.8982 8.8982 9.6871 9.6871 9.7860 9.7860 10.3064 10.3064 10.4403 10.4403 11.7455 11.7455 12.4698 12.4698 12.4976 12.4976 19.2103 19.2103 19.3741 19.3741 19.9630 19.9630 20.6994 20.6994 k = 0.0833 0.1443-0.0000 ( 1345 PWs) bands (ev): -7.6290 -7.6290 -5.9468 -5.9468 -5.8940 -5.8940 -1.8755 -1.8755 0.4099 0.4099 6.9426 6.9426 7.0175 7.0175 8.3642 8.3642 9.0329 9.0329 9.8242 9.8242 9.8897 9.8897 10.4133 10.4133 10.5559 10.5559 11.8574 11.8574 12.5509 12.5509 12.5596 12.5596 19.1938 19.1938 19.3159 19.3159 19.9121 19.9121 20.6703 20.6703 k = 0.0794 0.1375-0.0000 ( 1345 PWs) bands (ev): -7.6763 -7.6763 -5.9932 -5.9932 -5.9406 -5.9406 -1.9177 -1.9177 0.3676 0.3676 6.9288 6.9288 7.0044 7.0044 8.5184 8.5184 9.1647 9.1647 9.9613 9.9613 9.9927 9.9927 10.5163 10.5163 10.6667 10.6667 11.9688 11.9688 12.6068 12.6068 12.6418 12.6418 19.1756 19.1756 19.2598 19.2598 19.8621 19.8621 20.6437 20.6437 k = 0.0754 0.1306-0.0000 ( 1345 PWs) bands (ev): -7.7213 -7.7213 -6.0373 -6.0373 -5.9849 -5.9849 -1.9578 -1.9578 0.3272 0.3272 6.9144 6.9144 6.9905 6.9905 8.6703 8.6703 9.2925 9.2925 10.0952 10.0952 10.0978 10.0978 10.6150 10.6150 10.7724 10.7724 12.0797 12.0797 12.6598 12.6598 12.7222 12.7222 19.1558 19.1558 19.2058 19.2058 19.8131 19.8131 20.6197 20.6197 k = 0.0714 0.1237-0.0000 ( 1345 PWs) bands (ev): -7.7640 -7.7640 -6.0791 -6.0791 -6.0271 -6.0271 -1.9958 -1.9958 0.2887 0.2887 6.8997 6.8997 6.9762 6.9762 8.8194 8.8194 9.4153 9.4153 10.1976 10.1976 10.2329 10.2329 10.7094 10.7094 10.8728 10.8728 12.1899 12.1899 12.7112 12.7112 12.7991 12.7991 19.1340 19.1340 19.1541 19.1541 19.7650 19.7650 20.5981 20.5981 k = 0.0675 0.1168-0.0000 ( 1341 PWs) bands (ev): -7.8045 -7.8045 -6.1187 -6.1187 -6.0669 -6.0669 -2.0319 -2.0319 0.2522 0.2522 6.8849 6.8849 6.9617 6.9617 8.9653 8.9653 9.5321 9.5321 10.2999 10.2999 10.3662 10.3662 10.7990 10.7990 10.9678 10.9678 12.2992 12.2992 12.7610 12.7610 12.8724 12.8724 19.1035 19.1035 19.1116 19.1116 19.7177 19.7177 20.5789 20.5789 k = 0.0635 0.1100-0.0000 ( 1341 PWs) bands (ev): -7.8426 -7.8426 -6.1561 -6.1561 -6.1045 -6.1045 -2.0659 -2.0659 0.2176 0.2176 6.8702 6.8702 6.9473 6.9473 9.1075 9.1075 9.6423 9.6423 10.4022 10.4022 10.4969 10.4969 10.8837 10.8837 11.0571 11.0571 12.4070 12.4070 12.8092 12.8092 12.9418 12.9418 19.0567 19.0567 19.0855 19.0855 19.6714 19.6714 20.5621 20.5621 k = 0.0595 0.1031-0.0000 ( 1349 PWs) bands (ev): -7.8785 -7.8785 -6.1913 -6.1913 -6.1399 -6.1399 -2.0980 -2.0980 0.1850 0.1850 6.8558 6.8558 6.9331 6.9331 9.2456 9.2456 9.7451 9.7451 10.5044 10.5044 10.6244 10.6244 10.9632 10.9632 11.1406 11.1406 12.5130 12.5130 12.8557 12.8557 13.0071 13.0071 19.0118 19.0118 19.0580 19.0580 19.6259 19.6259 20.5474 20.5474 k = 0.0556 0.0962-0.0000 ( 1349 PWs) bands (ev): -7.9120 -7.9120 -6.2242 -6.2242 -6.1729 -6.1729 -2.1279 -2.1279 0.1544 0.1544 6.8419 6.8419 6.9193 6.9193 9.3792 9.3792 9.8402 9.8402 10.6062 10.6062 10.7482 10.7482 11.0374 11.0374 11.2185 11.2185 12.6167 12.6167 12.9005 12.9005 13.0684 13.0684 18.9694 18.9694 19.0286 19.0286 19.5815 19.5815 20.5350 20.5350 k = 0.0516 0.0894-0.0000 ( 1349 PWs) bands (ev): -7.9433 -7.9433 -6.2548 -6.2548 -6.2037 -6.2037 -2.1557 -2.1557 0.1259 0.1259 6.8287 6.8287 6.9061 6.9061 9.5076 9.5076 9.9275 9.9275 10.7069 10.7069 10.8677 10.8677 11.1061 11.1061 11.2907 11.2907 12.7176 12.7176 12.9434 12.9434 13.1254 13.1254 18.9295 18.9295 18.9975 18.9975 19.5381 19.5381 20.5246 20.5246 k = 0.0476 0.0825-0.0000 ( 1349 PWs) bands (ev): -7.9722 -7.9722 -6.2832 -6.2832 -6.2322 -6.2322 -2.1815 -2.1815 0.0994 0.0994 6.8161 6.8161 6.8934 6.8934 9.6304 9.6304 10.0070 10.0070 10.8059 10.8059 10.9821 10.9821 11.1692 11.1692 11.3571 11.3571 12.8151 12.8151 12.9844 12.9844 13.1781 13.1781 18.8922 18.8922 18.9651 18.9651 19.4960 19.4960 20.5160 20.5160 k = 0.0437 0.0756-0.0000 ( 1353 PWs) bands (ev): -7.9989 -7.9989 -6.3093 -6.3093 -6.2585 -6.2585 -2.2053 -2.2053 0.0750 0.0750 6.8043 6.8043 6.8816 6.8816 9.7468 9.7468 10.0788 10.0788 10.9021 10.9021 11.0909 11.0909 11.2266 11.2266 11.4179 11.4179 12.9085 12.9085 13.0232 13.0232 13.2264 13.2264 18.8576 18.8576 18.9315 18.9315 19.4553 19.4553 20.5089 20.5089 k = 0.0397 0.0687-0.0000 ( 1353 PWs) bands (ev): -8.0232 -8.0232 -6.3332 -6.3332 -6.2825 -6.2825 -2.2270 -2.2270 0.0527 0.0527 6.7933 6.7933 6.8705 6.8705 9.8565 9.8565 10.1431 10.1431 10.9948 10.9948 11.1934 11.1934 11.2783 11.2783 11.4731 11.4731 12.9970 12.9970 13.0597 13.0597 13.2702 13.2702 18.8258 18.8258 18.8974 18.8974 19.4163 19.4163 20.5035 20.5035 k = 0.0357 0.0619-0.0000 ( 1353 PWs) bands (ev): -8.0452 -8.0452 -6.3548 -6.3548 -6.3042 -6.3042 -2.2466 -2.2466 0.0325 0.0325 6.7832 6.7832 6.8603 6.8603 9.9587 9.9587 10.2003 10.2003 11.0827 11.0827 11.2889 11.2889 11.3243 11.3243 11.5227 11.5227 13.0792 13.0792 13.0946 13.0946 13.3096 13.3096 18.7970 18.7970 18.8633 18.8633 19.3793 19.3793 20.4994 20.4994 k = 0.0317 0.0550-0.0000 ( 1353 PWs) bands (ev): -8.0649 -8.0649 -6.3741 -6.3741 -6.3236 -6.3236 -2.2642 -2.2642 0.0144 0.0144 6.7741 6.7741 6.8511 6.8511 10.0527 10.0527 10.2507 10.2507 11.1649 11.1649 11.3647 11.3647 11.3767 11.3767 11.5669 11.5669 13.1239 13.1239 13.1579 13.1579 13.3446 13.3446 18.7710 18.7710 18.8298 18.8298 19.3447 19.3447 20.4964 20.4964 k = 0.0278 0.0481-0.0000 ( 1353 PWs) bands (ev): -8.0823 -8.0823 -6.3911 -6.3911 -6.3407 -6.3407 -2.2797 -2.2797 -0.0017 -0.0017 6.7660 6.7660 6.8428 6.8428 10.1378 10.1378 10.2945 10.2945 11.2402 11.2402 11.3996 11.3996 11.4562 11.4562 11.6057 11.6057 13.1523 13.1523 13.2276 13.2276 13.3751 13.3751 18.7480 18.7480 18.7978 18.7978 19.3128 19.3128 20.4942 20.4942 k = 0.0238 0.0412-0.0000 ( 1353 PWs) bands (ev): -8.0974 -8.0974 -6.4059 -6.4059 -6.3556 -6.3556 -2.2931 -2.2931 -0.0155 -0.0155 6.7588 6.7588 6.8356 6.8356 10.2135 10.2135 10.3321 10.3321 11.3078 11.3078 11.4292 11.4292 11.5268 11.5268 11.6392 11.6392 13.1774 13.1774 13.2899 13.2899 13.4013 13.4013 18.7280 18.7280 18.7679 18.7679 19.2840 19.2840 20.4928 20.4928 k = 0.0198 0.0344-0.0000 ( 1361 PWs) bands (ev): -8.1102 -8.1102 -6.4184 -6.4184 -6.3682 -6.3682 -2.3045 -2.3045 -0.0274 -0.0274 6.7527 6.7527 6.8294 6.8294 10.2789 10.2789 10.3635 10.3635 11.3664 11.3664 11.4536 11.4536 11.5874 11.5874 11.6674 11.6674 13.1989 13.1989 13.3438 13.3438 13.4232 13.4232 18.7109 18.7109 18.7411 18.7411 19.2587 19.2587 20.4919 20.4919 k = 0.0159 0.0275-0.0000 ( 1365 PWs) bands (ev): -8.1206 -8.1206 -6.4287 -6.4287 -6.3785 -6.3785 -2.3139 -2.3139 -0.0370 -0.0370 6.7477 6.7477 6.8243 6.8243 10.3335 10.3335 10.3890 10.3890 11.4156 11.4156 11.4732 11.4732 11.6380 11.6380 11.6905 11.6905 13.2168 13.2168 13.3888 13.3888 13.4410 13.4410 18.6969 18.6969 18.7181 18.7181 19.2374 19.2374 20.4914 20.4914 k = 0.0119 0.0206-0.0000 ( 1361 PWs) bands (ev): -8.1287 -8.1287 -6.4366 -6.4366 -6.3865 -6.3865 -2.3211 -2.3211 -0.0445 -0.0445 6.7439 6.7439 6.8204 6.8204 10.3765 10.3765 10.4089 10.4089 11.4546 11.4546 11.4883 11.4883 11.6778 11.6778 11.7086 11.7086 13.2313 13.2313 13.4243 13.4243 13.4550 13.4550 18.6857 18.6857 18.6997 18.6997 19.2206 19.2206 20.4910 20.4910 k = 0.0079 0.0137-0.0000 ( 1361 PWs) bands (ev): -8.1345 -8.1345 -6.4423 -6.4423 -6.3922 -6.3922 -2.3263 -2.3263 -0.0499 -0.0499 6.7411 6.7411 6.8175 6.8175 10.4072 10.4072 10.4234 10.4234 11.4824 11.4824 11.4993 11.4993 11.7062 11.7062 11.7219 11.7219 13.2415 13.2415 13.4494 13.4494 13.4653 13.4653 18.6771 18.6771 18.6867 18.6867 19.2082 19.2082 20.4904 20.4904 k = 0.0040 0.0069-0.0000 ( 1357 PWs) bands (ev): -8.1380 -8.1380 -6.4457 -6.4457 -6.3956 -6.3956 -2.3294 -2.3294 -0.0531 -0.0531 6.7394 6.7394 6.8158 6.8158 10.4246 10.4246 10.4334 10.4334 11.4980 11.4980 11.5071 11.5071 11.7222 11.7222 11.7313 11.7313 13.2476 13.2476 13.4633 13.4633 13.4728 13.4728 18.6714 18.6714 18.6794 18.6794 19.2007 19.2007 20.4889 20.4889 k = 0.0000 0.0000 0.0000 ( 1351 PWs) bands (ev): -8.1391 -8.1391 -6.4469 -6.4469 -6.3967 -6.3967 -2.3304 -2.3304 -0.0542 -0.0542 6.7389 6.7389 6.8152 6.8152 10.4296 10.4296 10.4375 10.4375 11.5025 11.5025 11.5107 11.5107 11.7269 11.7269 11.7353 11.7353 13.2497 13.2497 13.4672 13.4672 13.4761 13.4761 18.6693 18.6693 18.6772 18.6772 19.1982 19.1982 20.4874 20.4874 k = 0.0000 0.0000 0.0000 ( 1351 PWs) bands (ev): -8.1391 -8.1391 -6.4469 -6.4469 -6.3967 -6.3967 -2.3304 -2.3304 -0.0542 -0.0542 6.7389 6.7389 6.8152 6.8152 10.4296 10.4296 10.4375 10.4375 11.5025 11.5025 11.5107 11.5107 11.7269 11.7269 11.7353 11.7353 13.2497 13.2497 13.4672 13.4672 13.4761 13.4761 18.6693 18.6693 18.6772 18.6772 19.1982 19.1982 20.4874 20.4874 k = 0.0000 0.0000 0.0077 ( 1357 PWs) bands (ev): -8.1381 -8.1381 -6.5093 -6.5093 -6.3323 -6.3323 -2.3417 -2.3417 -0.0410 -0.0410 6.5600 6.5600 6.9943 6.9943 10.4304 10.4304 10.4383 10.4383 11.4903 11.4903 11.4985 11.4985 11.7396 11.7396 11.7480 11.7480 13.2422 13.2422 13.4651 13.4651 13.4740 13.4740 18.6717 18.6717 18.6796 18.6796 19.2023 19.2023 20.4823 20.4824 k = 0.0000 0.0000 0.0153 ( 1363 PWs) bands (ev): -8.1348 -8.1348 -6.5894 -6.5894 -6.2462 -6.2462 -2.3749 -2.3749 -0.0025 -0.0025 6.3483 6.3483 7.2067 7.2067 10.4327 10.4327 10.4407 10.4407 11.4600 11.4600 11.4682 11.4682 11.7724 11.7724 11.7808 11.7808 13.2192 13.2192 13.4588 13.4588 13.4678 13.4678 18.6789 18.6789 18.6868 18.6868 19.2142 19.2142 20.4676 20.4676 k = 0.0000 0.0000 0.0230 ( 1363 PWs) bands (ev): -8.1294 -8.1294 -6.6687 -6.6687 -6.1569 -6.1569 -2.4279 -2.4279 0.0596 0.0596 6.1361 6.1361 7.4203 7.4203 10.4366 10.4366 10.4446 10.4446 11.4204 11.4204 11.4286 11.4286 11.8162 11.8162 11.8246 11.8246 13.1822 13.1822 13.4485 13.4485 13.4575 13.4575 18.6908 18.6908 18.6988 18.6988 19.2343 19.2343 20.4438 20.4517 k = 0.0000 0.0000 0.0306 ( 1369 PWs) bands (ev): -8.1218 -8.1218 -6.7462 -6.7462 -6.0653 -6.0653 -2.4979 -2.4979 0.1421 0.1421 5.9242 5.9242 7.6342 7.6342 10.4421 10.4421 10.4500 10.4500 11.3766 11.3766 11.3848 11.3848 11.8657 11.8657 11.8741 11.8741 13.1309 13.1309 13.4342 13.4342 13.4432 13.4432 18.7073 18.7073 18.7153 18.7153 19.2619 19.2619 20.4119 20.4119 k = 0.0000 0.0000 0.0383 ( 1363 PWs) bands (ev): -8.1121 -8.1121 -6.8218 -6.8218 -5.9717 -5.9717 -2.5819 -2.5819 0.2422 0.2422 5.7129 5.7129 7.8480 7.8480 10.4491 10.4491 10.4571 10.4571 11.3314 11.3314 11.3396 11.3396 11.9188 11.9188 11.9273 11.9273 13.0660 13.0660 13.4160 13.4160 13.4250 13.4250 18.7286 18.7286 18.7365 18.7365 19.2965 19.2965 20.3731 20.3731 k = 0.0000 0.0000 0.0459 ( 1364 PWs) bands (ev): -8.1002 -8.1002 -6.8953 -6.8953 -5.8761 -5.8761 -2.6768 -2.6768 0.3570 0.3570 5.5022 5.5022 8.0617 8.0617 10.4577 10.4577 10.4657 10.4657 11.2857 11.2857 11.2939 11.2939 11.9737 11.9737 11.9821 11.9821 12.9879 12.9879 13.3941 13.3941 13.4031 13.4031 18.7542 18.7542 18.7622 18.7622 19.3373 19.3373 20.3286 20.3286 k = 0.0000 0.0000 0.0536 ( 1352 PWs) bands (ev): -8.0861 -8.0861 -6.9669 -6.9669 -5.7785 -5.7785 -2.7802 -2.7802 0.4840 0.4840 5.2924 5.2924 8.2750 8.2750 10.4679 10.4679 10.4759 10.4759 11.2402 11.2402 11.2484 11.2484 12.0301 12.0301 12.0386 12.0386 12.8976 12.8976 13.3686 13.3686 13.3776 13.3776 18.7841 18.7841 18.7921 18.7921 19.3840 19.3840 20.2791 20.2791 k = 0.0000 0.0000 0.0612 ( 1352 PWs) bands (ev): -8.0699 -8.0699 -7.0364 -7.0364 -5.6790 -5.6790 -2.8902 -2.8902 0.6208 0.6208 5.0834 5.0834 8.4877 8.4877 10.4796 10.4796 10.4876 10.4876 11.1952 11.1952 11.2034 11.2034 12.0874 12.0874 12.0959 12.0959 12.7956 12.7956 13.3395 13.3395 13.3485 13.3485 18.8180 18.8180 18.8260 18.8260 19.4357 19.4357 20.2257 20.2258 k = 0.0000 0.0000 0.0689 ( 1352 PWs) bands (ev): -8.0515 -8.0515 -7.1038 -7.1038 -5.5776 -5.5776 -3.0049 -3.0049 0.7660 0.7660 4.8755 4.8755 8.6997 8.6997 10.4929 10.4929 10.5009 10.5009 11.1510 11.1510 11.1592 11.1592 12.1454 12.1454 12.1540 12.1540 12.6828 12.6828 13.3071 13.3071 13.3161 13.3161 18.8559 18.8559 18.8639 18.8639 19.4916 19.4916 20.1691 20.1691 k = 0.0000 0.0000 0.0765 ( 1352 PWs) bands (ev): -8.0309 -8.0309 -7.1691 -7.1691 -5.4744 -5.4744 -3.1232 -3.1232 0.9183 0.9183 4.6686 4.6686 8.9108 8.9108 10.5077 10.5077 10.5157 10.5157 11.1077 11.1077 11.1158 11.1158 12.2041 12.2041 12.2126 12.2126 12.5599 12.5599 13.2717 13.2717 13.2806 13.2806 18.8973 18.8973 18.9053 18.9053 19.5512 19.5512 20.1098 20.1098 k = 0.0000 0.0000 0.0842 ( 1352 PWs) bands (ev): -8.0082 -8.0082 -7.2324 -7.2324 -5.3693 -5.3693 -3.2439 -3.2439 1.0766 1.0766 4.4628 4.4628 9.1209 9.1209 10.5240 10.5240 10.5320 10.5320 11.0653 11.0653 11.0735 11.0735 12.2631 12.2631 12.2717 12.2717 12.4278 12.4278 13.2333 13.2333 13.2423 13.2423 18.9422 18.9422 18.9502 18.9502 19.6135 19.6135 20.0483 20.0484 k = 0.0000 0.0000 0.0919 ( 1352 PWs) bands (ev): -7.9833 -7.9833 -7.2936 -7.2936 -5.2625 -5.2625 -3.3662 -3.3662 1.2401 1.2401 4.2583 4.2583 9.3298 9.3298 10.5419 10.5419 10.5499 10.5499 11.0240 11.0240 11.0322 11.0322 12.2871 12.2871 12.3224 12.3224 12.3310 12.3310 13.1922 13.1922 13.2012 13.2012 18.9902 18.9902 18.9983 18.9983 19.6780 19.6780 19.9852 19.9852 k = 0.0000 0.0000 0.0995 ( 1352 PWs) bands (ev): -7.9563 -7.9563 -7.3526 -7.3526 -5.1539 -5.1539 -3.4896 -3.4896 1.4081 1.4081 4.0552 4.0552 9.5373 9.5373 10.5613 10.5613 10.5693 10.5693 10.9839 10.9839 10.9920 10.9920 12.1385 12.1385 12.3818 12.3818 12.3904 12.3904 13.1486 13.1486 13.1576 13.1576 19.0412 19.0412 19.0493 19.0493 19.7439 19.7439 19.9207 19.9207 k = 0.0000 0.0000 0.1072 ( 1340 PWs) bands (ev): -7.9271 -7.9271 -7.4096 -7.4096 -5.0435 -5.0435 -3.6135 -3.6135 1.5805 1.5805 3.8534 3.8534 9.7433 9.7433 10.5823 10.5823 10.5903 10.5903 10.9450 10.9450 10.9531 10.9531 11.9829 11.9829 12.4413 12.4413 12.4500 12.4500 13.1028 13.1028 13.1117 13.1117 19.0949 19.0949 19.1030 19.1030 19.8108 19.8108 19.8553 19.8553 k = 0.0000 0.0000 0.1148 ( 1340 PWs) bands (ev): -7.8957 -7.8957 -7.4644 -7.4644 -4.9315 -4.9315 -3.7374 -3.7374 1.7560 1.7560 3.6531 3.6531 9.9473 9.9473 10.6047 10.6047 10.6127 10.6127 10.9073 10.9073 10.9154 10.9154 11.8207 11.8207 12.5006 12.5006 12.5093 12.5093 13.0548 13.0548 13.0637 13.0637 19.1509 19.1509 19.1590 19.1590 19.7892 19.7892 19.7975 19.7975 k = 0.0000 0.0000 0.1225 ( 1340 PWs) bands (ev): -7.8622 -7.8622 -7.5171 -7.5171 -4.8180 -4.8180 -3.8612 -3.8612 1.9348 1.9348 3.4544 3.4544 10.1492 10.1492 10.6285 10.6285 10.6366 10.6366 10.8709 10.8709 10.8790 10.8790 11.6525 11.6525 12.5596 12.5596 12.5683 12.5683 13.0050 13.0050 13.0138 13.0138 19.2091 19.2091 19.2173 19.2173 19.7228 19.7228 19.7310 19.7310 k = 0.0000 0.0000 0.1301 ( 1334 PWs) bands (ev): -7.8266 -7.8266 -7.5677 -7.5677 -4.7028 -4.7028 -3.9844 -3.9844 2.1165 2.1165 3.2574 3.2574 10.3488 10.3488 10.6539 10.6539 10.6619 10.6619 10.8358 10.8358 10.8439 10.8439 11.4789 11.4789 12.6183 12.6183 12.6270 12.6270 12.9534 12.9534 12.9622 12.9622 19.2693 19.2693 19.2774 19.2774 19.6563 19.6563 19.6645 19.6645 k = 0.0000 0.0000 0.1378 ( 1334 PWs) bands (ev): -7.7888 -7.7888 -7.6162 -7.6162 -4.5862 -4.5862 -4.1069 -4.1069 2.3009 2.3009 3.0621 3.0621 10.5457 10.5457 10.6807 10.6807 10.6887 10.6887 10.8020 10.8020 10.8101 10.8101 11.3003 11.3003 12.6764 12.6764 12.6851 12.6851 12.9003 12.9003 12.9091 12.9091 19.3311 19.3311 19.3392 19.3392 19.5899 19.5899 19.5981 19.5981 k = 0.0000 0.0000 0.1454 ( 1328 PWs) bands (ev): -7.7488 -7.7488 -7.6626 -7.6626 -4.4682 -4.4682 -4.2284 -4.2284 2.4882 2.4882 2.8687 2.8687 10.7089 10.7089 10.7169 10.7169 10.7396 10.7396 10.7696 10.7696 10.7776 10.7776 11.1173 11.1173 12.7338 12.7338 12.7425 12.7425 12.8459 12.8459 12.8547 12.8547 19.3943 19.3943 19.4024 19.4024 19.5239 19.5239 19.5321 19.5321 k = 0.0000 0.0000 0.1531 ( 1328 PWs) bands (ev): -7.7068 -7.7068 -7.7068 -7.7068 -4.3489 -4.3489 -4.3489 -4.3489 2.6774 2.6774 2.6774 2.6774 10.7385 10.7385 10.7385 10.7385 10.7466 10.7466 10.7466 10.7466 10.9303 10.9303 10.9303 10.9303 12.7903 12.7903 12.7903 12.7903 12.7991 12.7991 12.7991 12.7991 19.4586 19.4586 19.4586 19.4586 19.4668 19.4668 19.4668 19.4668 k = 0.0000 0.0000 0.1531 ( 1328 PWs) bands (ev): -7.7068 -7.7068 -7.7068 -7.7068 -4.3489 -4.3489 -4.3489 -4.3489 2.6774 2.6774 2.6774 2.6774 10.7385 10.7385 10.7385 10.7385 10.7466 10.7466 10.7466 10.7466 10.9303 10.9303 10.9303 10.9303 12.7903 12.7903 12.7903 12.7903 12.7991 12.7991 12.7991 12.7991 19.4586 19.4586 19.4586 19.4586 19.4668 19.4668 19.4668 19.4668 k = 0.0069 0.0040 0.1531 ( 1328 PWs) bands (ev): -7.7056 -7.7056 -7.7056 -7.7056 -4.3478 -4.3478 -4.3478 -4.3478 2.6783 2.6783 2.6783 2.6783 10.7336 10.7336 10.7336 10.7336 10.7425 10.7425 10.7425 10.7425 10.9299 10.9299 10.9299 10.9299 12.7863 12.7863 12.7863 12.7863 12.7957 12.7957 12.7957 12.7957 19.4596 19.4596 19.4596 19.4596 19.4685 19.4685 19.4685 19.4685 k = 0.0139 0.0080 0.1531 ( 1328 PWs) bands (ev): -7.7021 -7.7021 -7.7021 -7.7021 -4.3444 -4.3444 -4.3444 -4.3444 2.6812 2.6812 2.6812 2.6812 10.7162 10.7162 10.7162 10.7162 10.7329 10.7329 10.7329 10.7329 10.9285 10.9285 10.9285 10.9285 12.7718 12.7718 12.7718 12.7718 12.7880 12.7880 12.7880 12.7880 19.4596 19.4596 19.4596 19.4596 19.4761 19.4761 19.4761 19.4761 k = 0.0208 0.0120 0.1531 ( 1328 PWs) bands (ev): -7.6962 -7.6962 -7.6962 -7.6962 -4.3387 -4.3387 -4.3387 -4.3387 2.6859 2.6859 2.6859 2.6859 10.6853 10.6853 10.6853 10.6853 10.7191 10.7191 10.7191 10.7191 10.9263 10.9263 10.9263 10.9263 12.7456 12.7456 12.7456 12.7456 12.7773 12.7773 12.7773 12.7773 19.4574 19.4574 19.4574 19.4574 19.4908 19.4908 19.4908 19.4908 k = 0.0278 0.0160 0.1531 ( 1328 PWs) bands (ev): -7.6879 -7.6879 -7.6879 -7.6879 -4.3308 -4.3308 -4.3308 -4.3308 2.6925 2.6925 2.6925 2.6925 10.6417 10.6417 10.6417 10.6417 10.7004 10.7004 10.7004 10.7004 10.9232 10.9232 10.9232 10.9232 12.7086 12.7086 12.7086 12.7086 12.7631 12.7631 12.7631 12.7631 19.4533 19.4533 19.4533 19.4533 19.5119 19.5119 19.5119 19.5119 k = 0.0347 0.0200 0.1531 ( 1330 PWs) bands (ev): -7.6773 -7.6773 -7.6773 -7.6773 -4.3207 -4.3207 -4.3207 -4.3207 2.7008 2.7008 2.7008 2.7008 10.5861 10.5861 10.5861 10.5861 10.6768 10.6768 10.6768 10.6768 10.9191 10.9191 10.9191 10.9191 12.6614 12.6614 12.6614 12.6614 12.7451 12.7451 12.7451 12.7451 19.4471 19.4471 19.4471 19.4471 19.5391 19.5391 19.5391 19.5391 k = 0.0417 0.0241 0.1531 ( 1330 PWs) bands (ev): -7.6643 -7.6643 -7.6643 -7.6643 -4.3083 -4.3083 -4.3083 -4.3083 2.7111 2.7111 2.7111 2.7111 10.5188 10.5188 10.5188 10.5188 10.6484 10.6484 10.6484 10.6484 10.9139 10.9139 10.9139 10.9139 12.6045 12.6045 12.6045 12.6045 12.7234 12.7234 12.7234 12.7234 19.4386 19.4386 19.4386 19.4386 19.5721 19.5721 19.5721 19.5721 k = 0.0486 0.0281 0.1531 ( 1330 PWs) bands (ev): -7.6490 -7.6490 -7.6490 -7.6490 -4.2936 -4.2936 -4.2936 -4.2936 2.7233 2.7233 2.7233 2.7233 10.4404 10.4404 10.4404 10.4404 10.6153 10.6153 10.6153 10.6153 10.9076 10.9076 10.9076 10.9076 12.5384 12.5384 12.5384 12.5384 12.6980 12.6980 12.6980 12.6980 19.4276 19.4276 19.4276 19.4276 19.6108 19.6108 19.6108 19.6108 k = 0.0556 0.0321 0.1531 ( 1332 PWs) bands (ev): -7.6313 -7.6313 -7.6313 -7.6313 -4.2767 -4.2767 -4.2767 -4.2767 2.7374 2.7374 2.7374 2.7374 10.3512 10.3512 10.3512 10.3512 10.5778 10.5778 10.5778 10.5778 10.8999 10.8999 10.8999 10.8999 12.4638 12.4638 12.4638 12.4638 12.6689 12.6689 12.6689 12.6689 19.4137 19.4137 19.4137 19.4137 19.6551 19.6551 19.6551 19.6551 k = 0.0625 0.0361 0.1531 ( 1340 PWs) bands (ev): -7.6113 -7.6113 -7.6113 -7.6113 -4.2576 -4.2576 -4.2576 -4.2576 2.7531 2.7531 2.7531 2.7531 10.2519 10.2519 10.2519 10.2519 10.5361 10.5361 10.5361 10.5361 10.8906 10.8906 10.8906 10.8906 12.3812 12.3812 12.3812 12.3812 12.6363 12.6363 12.6363 12.6363 19.3971 19.3971 19.3971 19.3971 19.7046 19.7047 19.7047 19.7047 k = 0.0694 0.0401 0.1531 ( 1336 PWs) bands (ev): -7.5889 -7.5889 -7.5889 -7.5889 -4.2362 -4.2362 -4.2362 -4.2362 2.7708 2.7708 2.7708 2.7708 10.1433 10.1433 10.1433 10.1433 10.4906 10.4906 10.4906 10.4906 10.8795 10.8795 10.8795 10.8795 12.2916 12.2916 12.2916 12.2916 12.6004 12.6004 12.6004 12.6004 19.3777 19.3777 19.3777 19.3777 19.7595 19.7595 19.7595 19.7595 k = 0.0764 0.0441 0.1531 ( 1340 PWs) bands (ev): -7.5641 -7.5641 -7.5641 -7.5641 -4.2125 -4.2125 -4.2125 -4.2125 2.7902 2.7902 2.7902 2.7902 10.0256 10.0256 10.0256 10.0256 10.4412 10.4412 10.4412 10.4412 10.8662 10.8662 10.8662 10.8662 12.1956 12.1956 12.1956 12.1956 12.5612 12.5612 12.5612 12.5612 19.3557 19.3557 19.3557 19.3557 19.8190 19.8190 19.8190 19.8190 k = 0.0833 0.0481 0.1531 ( 1344 PWs) bands (ev): -7.5370 -7.5370 -7.5370 -7.5370 -4.1866 -4.1866 -4.1866 -4.1866 2.8115 2.8115 2.8115 2.8115 9.8997 9.8997 9.8997 9.8997 10.3885 10.3885 10.3885 10.3885 10.8503 10.8503 10.8503 10.8503 12.0944 12.0944 12.0944 12.0944 12.5188 12.5188 12.5188 12.5188 19.3311 19.3311 19.3311 19.3311 19.8830 19.8830 19.8830 19.8830 k = 0.0903 0.0521 0.1531 ( 1344 PWs) bands (ev): -7.5076 -7.5076 -7.5076 -7.5076 -4.1585 -4.1585 -4.1585 -4.1585 2.8345 2.8345 2.8345 2.8345 9.7660 9.7660 9.7660 9.7660 10.3327 10.3327 10.3327 10.3327 10.8310 10.8310 10.8310 10.8310 11.9889 11.9889 11.9889 11.9889 12.4736 12.4736 12.4736 12.4736 19.3041 19.3041 19.3041 19.3041 19.9515 19.9515 19.9515 19.9515 k = 0.0972 0.0561 0.1531 ( 1344 PWs) bands (ev): -7.4758 -7.4758 -7.4758 -7.4758 -4.1281 -4.1281 -4.1281 -4.1281 2.8593 2.8593 2.8593 2.8593 9.6251 9.6251 9.6251 9.6251 10.2740 10.2740 10.2740 10.2740 10.8076 10.8076 10.8076 10.8076 11.8805 11.8805 11.8805 11.8805 12.4257 12.4257 12.4257 12.4257 19.2751 19.2751 19.2751 19.2751 20.0239 20.0239 20.0239 20.0239 k = 0.1042 0.0601 0.1531 ( 1336 PWs) bands (ev): -7.4417 -7.4417 -7.4417 -7.4417 -4.0955 -4.0955 -4.0955 -4.0955 2.8859 2.8859 2.8859 2.8859 9.4778 9.4778 9.4778 9.4778 10.2127 10.2127 10.2127 10.2127 10.7788 10.7788 10.7788 10.7788 11.7707 11.7707 11.7707 11.7707 12.3753 12.3753 12.3753 12.3753 19.2442 19.2442 19.2442 19.2442 20.1001 20.1001 20.1001 20.1001 k = 0.1111 0.0642 0.1531 ( 1342 PWs) bands (ev): -7.4052 -7.4052 -7.4052 -7.4052 -4.0607 -4.0607 -4.0607 -4.0607 2.9140 2.9140 2.9140 2.9140 9.3242 9.3242 9.3242 9.3242 10.1491 10.1491 10.1491 10.1491 10.7431 10.7431 10.7431 10.7431 11.6616 11.6616 11.6616 11.6616 12.3225 12.3225 12.3225 12.3225 19.2115 19.2115 19.2115 19.2115 20.1797 20.1797 20.1797 20.1797 k = 0.1181 0.0682 0.1531 ( 1346 PWs) bands (ev): -7.3665 -7.3665 -7.3665 -7.3665 -4.0236 -4.0236 -4.0236 -4.0236 2.9439 2.9439 2.9439 2.9439 9.1652 9.1652 9.1652 9.1652 10.0835 10.0835 10.0835 10.0835 10.6984 10.6984 10.6984 10.6984 11.5554 11.5554 11.5554 11.5554 12.2673 12.2673 12.2673 12.2673 19.1774 19.1774 19.1774 19.1774 20.2622 20.2622 20.2622 20.2622 k = 0.1250 0.0722 0.1531 ( 1346 PWs) bands (ev): -7.3253 -7.3253 -7.3253 -7.3253 -3.9843 -3.9843 -3.9843 -3.9843 2.9753 2.9753 2.9753 2.9753 9.0013 9.0013 9.0013 9.0013 10.0161 10.0161 10.0161 10.0161 10.6425 10.6425 10.6425 10.6425 11.4549 11.4549 11.4549 11.4549 12.2103 12.2103 12.2103 12.2103 19.1421 19.1421 19.1421 19.1421 20.3476 20.3476 20.3476 20.3476 k = 0.1319 0.0762 0.1531 ( 1346 PWs) bands (ev): -7.2819 -7.2819 -7.2819 -7.2819 -3.9429 -3.9429 -3.9429 -3.9429 3.0083 3.0083 3.0083 3.0083 8.8329 8.8329 8.8329 8.8329 9.9471 9.9471 9.9471 9.9471 10.5731 10.5731 10.5731 10.5731 11.3627 11.3627 11.3627 11.3627 12.1516 12.1516 12.1516 12.1516 19.1059 19.1059 19.1059 19.1059 20.4354 20.4354 20.4354 20.4354 k = 0.1389 0.0802 0.1531 ( 1346 PWs) bands (ev): -7.2361 -7.2361 -7.2361 -7.2361 -3.8992 -3.8992 -3.8992 -3.8992 3.0428 3.0428 3.0428 3.0428 8.6605 8.6605 8.6605 8.6605 9.8769 9.8769 9.8769 9.8769 10.4885 10.4885 10.4885 10.4885 11.2808 11.2808 11.2808 11.2808 12.0914 12.0914 12.0914 12.0914 19.0690 19.0690 19.0690 19.0690 20.5252 20.5252 20.5252 20.5252 k = 0.1458 0.0842 0.1531 ( 1342 PWs) bands (ev): -7.1880 -7.1880 -7.1880 -7.1880 -3.8533 -3.8533 -3.8533 -3.8533 3.0787 3.0787 3.0787 3.0787 8.4845 8.4845 8.4845 8.4845 9.8056 9.8056 9.8056 9.8056 10.3883 10.3883 10.3883 10.3883 11.2100 11.2100 11.2100 11.2100 12.0298 12.0298 12.0298 12.0298 19.0316 19.0316 19.0316 19.0316 20.6167 20.6167 20.6167 20.6167 k = 0.1528 0.0882 0.1531 ( 1342 PWs) bands (ev): -7.1376 -7.1376 -7.1376 -7.1376 -3.8052 -3.8052 -3.8052 -3.8052 3.1160 3.1160 3.1160 3.1160 8.3053 8.3053 8.3053 8.3053 9.7333 9.7333 9.7333 9.7333 10.2733 10.2733 10.2733 10.2733 11.1494 11.1494 11.1494 11.1494 11.9670 11.9670 11.9670 11.9670 18.9939 18.9939 18.9939 18.9939 20.7096 20.7096 20.7096 20.7096 k = 0.1597 0.0922 0.1531 ( 1338 PWs) bands (ev): -7.0848 -7.0848 -7.0848 -7.0848 -3.7549 -3.7549 -3.7549 -3.7549 3.1547 3.1547 3.1547 3.1547 8.1235 8.1235 8.1235 8.1235 9.6604 9.6604 9.6604 9.6604 10.1455 10.1455 10.1455 10.1455 11.0977 11.0977 11.0977 11.0977 11.9031 11.9031 11.9031 11.9031 18.9561 18.9561 18.9561 18.9561 20.8035 20.8035 20.8035 20.8035 k = 0.1667 0.0962 0.1531 ( 1340 PWs) bands (ev): -7.0298 -7.0298 -7.0298 -7.0298 -3.7025 -3.7025 -3.7025 -3.7025 3.1944 3.1944 3.1944 3.1944 7.9393 7.9393 7.9393 7.9393 9.5870 9.5870 9.5870 9.5870 10.0070 10.0070 10.0070 10.0070 11.0526 11.0526 11.0526 11.0526 11.8385 11.8385 11.8385 11.8385 18.9182 18.9182 18.9182 18.9182 20.8981 20.8981 20.8981 20.8981 k = 0.1736 0.1002 0.1531 ( 1344 PWs) bands (ev): -6.9725 -6.9725 -6.9725 -6.9725 -3.6479 -3.6479 -3.6479 -3.6479 3.2353 3.2353 3.2353 3.2353 7.7528 7.7528 7.7528 7.7528 9.5133 9.5133 9.5133 9.5133 9.8600 9.8600 9.8600 9.8600 11.0125 11.0125 11.0125 11.0125 11.7732 11.7732 11.7732 11.7732 18.8807 18.8807 18.8807 18.8807 20.9928 20.9928 20.9928 20.9928 k = 0.1806 0.1042 0.1531 ( 1344 PWs) bands (ev): -6.9129 -6.9129 -6.9129 -6.9129 -3.5911 -3.5911 -3.5911 -3.5911 3.2771 3.2771 3.2771 3.2771 7.5652 7.5652 7.5652 7.5652 9.4394 9.4394 9.4394 9.4394 9.7061 9.7061 9.7061 9.7061 10.9757 10.9757 10.9757 10.9757 11.7075 11.7075 11.7075 11.7075 18.8437 18.8437 18.8437 18.8437 21.0033 21.0033 21.0033 21.0033 k = 0.1875 0.1083 0.1531 ( 1342 PWs) bands (ev): -6.8509 -6.8509 -6.8509 -6.8509 -3.5322 -3.5322 -3.5322 -3.5322 3.3197 3.3197 3.3197 3.3197 7.3764 7.3764 7.3764 7.3764 9.3656 9.3656 9.3656 9.3656 9.5468 9.5468 9.5468 9.5468 10.9412 10.9412 10.9412 10.9412 11.6415 11.6415 11.6415 11.6415 18.8073 18.8073 18.8073 18.8073 20.9915 20.9915 20.9915 20.9915 k = 0.1944 0.1123 0.1531 ( 1346 PWs) bands (ev): -6.7867 -6.7867 -6.7867 -6.7867 -3.4711 -3.4711 -3.4711 -3.4711 3.3629 3.3629 3.3629 3.3629 7.1869 7.1869 7.1869 7.1869 9.2918 9.2918 9.2918 9.2918 9.3827 9.3827 9.3827 9.3827 10.9078 10.9078 10.9078 10.9078 11.5752 11.5752 11.5752 11.5752 18.7716 18.7716 18.7716 18.7716 20.9772 20.9772 20.9772 20.9772 k = 0.2014 0.1163 0.1531 ( 1346 PWs) bands (ev): -6.7203 -6.7203 -6.7203 -6.7203 -3.4079 -3.4079 -3.4079 -3.4079 3.4064 3.4064 3.4064 3.4064 6.9971 6.9971 6.9971 6.9971 9.2149 9.2149 9.2149 9.2149 9.2189 9.2189 9.2189 9.2189 10.8750 10.8750 10.8750 10.8750 11.5091 11.5091 11.5091 11.5091 18.7367 18.7367 18.7367 18.7367 20.9609 20.9609 20.9609 20.9609 k = 0.2083 0.1203 0.1531 ( 1344 PWs) bands (ev): -6.6515 -6.6515 -6.6515 -6.6515 -3.3426 -3.3426 -3.3426 -3.3426 3.4499 3.4499 3.4499 3.4499 6.8076 6.8076 6.8076 6.8076 9.0455 9.0455 9.0455 9.0455 9.1453 9.1453 9.1453 9.1453 10.8422 10.8422 10.8422 10.8422 11.4429 11.4429 11.4429 11.4429 18.7029 18.7029 18.7029 18.7029 20.9431 20.9431 20.9431 20.9431 k = 0.2153 0.1243 0.1531 ( 1342 PWs) bands (ev): -6.5805 -6.5805 -6.5805 -6.5805 -3.2752 -3.2752 -3.2752 -3.2752 3.4930 3.4930 3.4930 3.4930 6.6188 6.6188 6.6188 6.6188 8.8734 8.8734 8.8734 8.8734 9.0729 9.0729 9.0729 9.0729 10.8093 10.8093 10.8093 10.8093 11.3771 11.3771 11.3771 11.3771 18.6702 18.6702 18.6702 18.6702 20.9243 20.9243 20.9243 20.9243 k = 0.2222 0.1283 0.1531 ( 1354 PWs) bands (ev): -6.5073 -6.5073 -6.5073 -6.5073 -3.2057 -3.2057 -3.2057 -3.2057 3.5353 3.5353 3.5353 3.5353 6.4313 6.4313 6.4313 6.4313 8.6994 8.6994 8.6994 8.6994 9.0011 9.0011 9.0011 9.0011 10.7754 10.7754 10.7754 10.7754 11.3110 11.3110 11.3110 11.3110 18.6386 18.6386 18.6386 18.6386 20.9045 20.9045 20.9045 20.9045 k = 0.2292 0.1323 0.1531 ( 1358 PWs) bands (ev): -6.4318 -6.4318 -6.4318 -6.4318 -3.1342 -3.1342 -3.1342 -3.1342 3.5760 3.5760 3.5760 3.5760 6.2459 6.2459 6.2459 6.2459 8.5241 8.5241 8.5241 8.5241 8.9301 8.9301 8.9301 8.9301 10.7404 10.7404 10.7404 10.7404 11.2460 11.2460 11.2460 11.2460 18.6083 18.6083 18.6083 18.6083 20.8845 20.8845 20.8845 20.8845 k = 0.2361 0.1363 0.1531 ( 1358 PWs) bands (ev): -6.3541 -6.3541 -6.3541 -6.3541 -3.0606 -3.0606 -3.0606 -3.0606 3.6143 3.6143 3.6143 3.6143 6.0637 6.0637 6.0637 6.0637 8.3480 8.3480 8.3480 8.3480 8.8600 8.8600 8.8600 8.8600 10.7045 10.7045 10.7045 10.7045 11.1816 11.1816 11.1816 11.1816 18.5794 18.5794 18.5794 18.5794 20.8643 20.8643 20.8643 20.8643 k = 0.2431 0.1403 0.1531 ( 1354 PWs) bands (ev): -6.2742 -6.2742 -6.2742 -6.2742 -2.9849 -2.9849 -2.9849 -2.9849 3.6491 3.6491 3.6491 3.6491 5.8857 5.8857 5.8857 5.8857 8.1714 8.1714 8.1714 8.1714 8.7908 8.7908 8.7908 8.7908 10.6672 10.6672 10.6672 10.6672 11.1178 11.1178 11.1178 11.1178 18.5522 18.5522 18.5522 18.5522 20.8443 20.8443 20.8443 20.8443 k = 0.2500 0.1443 0.1531 ( 1358 PWs) bands (ev): -6.1920 -6.1920 -6.1920 -6.1920 -2.9073 -2.9073 -2.9073 -2.9073 3.6788 3.6788 3.6788 3.6788 5.7134 5.7134 5.7134 5.7134 7.9946 7.9946 7.9946 7.9946 8.7227 8.7227 8.7227 8.7227 10.6284 10.6284 10.6284 10.6284 11.0549 11.0549 11.0549 11.0549 18.5262 18.5262 18.5262 18.5262 20.8245 20.8245 20.8245 20.8245 k = 0.2569 0.1483 0.1531 ( 1358 PWs) bands (ev): -6.1077 -6.1077 -6.1077 -6.1077 -2.8277 -2.8277 -2.8277 -2.8277 3.7014 3.7014 3.7014 3.7014 5.5490 5.5490 5.5490 5.5490 7.8179 7.8179 7.8179 7.8179 8.6558 8.6558 8.6558 8.6558 10.5881 10.5881 10.5881 10.5881 10.9929 10.9929 10.9929 10.9929 18.5017 18.5017 18.5017 18.5017 20.8052 20.8052 20.8052 20.8052 k = 0.2639 0.1524 0.1531 ( 1362 PWs) bands (ev): -6.0212 -6.0212 -6.0212 -6.0212 -2.7462 -2.7462 -2.7462 -2.7462 3.7140 3.7140 3.7140 3.7140 5.3952 5.3952 5.3952 5.3952 7.6418 7.6418 7.6418 7.6418 8.5900 8.5900 8.5900 8.5900 10.5462 10.5462 10.5462 10.5462 10.9317 10.9317 10.9317 10.9317 18.4788 18.4788 18.4788 18.4788 20.7866 20.7866 20.7866 20.7866 k = 0.2708 0.1564 0.1531 ( 1358 PWs) bands (ev): -5.9325 -5.9325 -5.9325 -5.9325 -2.6626 -2.6626 -2.6626 -2.6626 3.7131 3.7131 3.7131 3.7131 5.2554 5.2554 5.2554 5.2554 7.4666 7.4666 7.4666 7.4666 8.5256 8.5256 8.5256 8.5256 10.5026 10.5026 10.5026 10.5026 10.8718 10.8718 10.8718 10.8718 18.4576 18.4576 18.4576 18.4576 20.7689 20.7689 20.7689 20.7689 k = 0.2778 0.1604 0.1531 ( 1358 PWs) bands (ev): -5.8417 -5.8417 -5.8417 -5.8417 -2.5773 -2.5773 -2.5773 -2.5773 3.6949 3.6949 3.6949 3.6949 5.1332 5.1332 5.1332 5.1332 7.2929 7.2929 7.2929 7.2929 8.4625 8.4625 8.4625 8.4625 10.4573 10.4573 10.4573 10.4573 10.8130 10.8130 10.8130 10.8130 18.4378 18.4378 18.4378 18.4378 20.7521 20.7521 20.7521 20.7521 k = 0.2847 0.1644 0.1531 ( 1362 PWs) bands (ev): -5.7488 -5.7488 -5.7488 -5.7488 -2.4901 -2.4901 -2.4901 -2.4901 3.6552 3.6552 3.6552 3.6552 5.0322 5.0322 5.0322 5.0322 7.1212 7.1212 7.1212 7.1212 8.4009 8.4009 8.4009 8.4009 10.4102 10.4102 10.4102 10.4102 10.7553 10.7553 10.7553 10.7553 18.4196 18.4196 18.4196 18.4196 20.7364 20.7364 20.7364 20.7364 k = 0.2917 0.1684 0.1531 ( 1358 PWs) bands (ev): -5.6538 -5.6538 -5.6538 -5.6538 -2.4012 -2.4012 -2.4012 -2.4012 3.5916 3.5916 3.5916 3.5916 4.9547 4.9547 4.9547 4.9547 6.9522 6.9522 6.9522 6.9522 8.3408 8.3408 8.3408 8.3408 10.3612 10.3612 10.3612 10.3612 10.6990 10.6990 10.6990 10.6990 18.4030 18.4030 18.4030 18.4030 20.7219 20.7219 20.7219 20.7219 k = 0.2986 0.1724 0.1531 ( 1358 PWs) bands (ev): -5.5566 -5.5566 -5.5566 -5.5566 -2.3105 -2.3105 -2.3105 -2.3105 3.5038 3.5038 3.5038 3.5038 4.9000 4.9000 4.9000 4.9000 6.7869 6.7869 6.7869 6.7869 8.2821 8.2821 8.2821 8.2821 10.3104 10.3104 10.3104 10.3104 10.6441 10.6441 10.6441 10.6441 18.3880 18.3880 18.3880 18.3880 20.7086 20.7086 20.7086 20.7086 k = 0.3056 0.1764 0.1531 ( 1358 PWs) bands (ev): -5.4575 -5.4575 -5.4575 -5.4575 -2.2182 -2.2182 -2.2182 -2.2182 3.3941 3.3941 3.3941 3.3941 4.8649 4.8649 4.8649 4.8649 6.6265 6.6265 6.6265 6.6265 8.2251 8.2251 8.2251 8.2251 10.2578 10.2578 10.2578 10.2578 10.5905 10.5905 10.5905 10.5905 18.3744 18.3744 18.3744 18.3744 20.6967 20.6967 20.6967 20.6967 k = 0.3125 0.1804 0.1531 ( 1358 PWs) bands (ev): -5.3562 -5.3562 -5.3562 -5.3562 -2.1243 -2.1243 -2.1243 -2.1243 3.2665 3.2665 3.2665 3.2665 4.8439 4.8439 4.8439 4.8439 6.4727 6.4727 6.4727 6.4727 8.1696 8.1696 8.1696 8.1696 10.2035 10.2035 10.2035 10.2035 10.5383 10.5383 10.5383 10.5383 18.3623 18.3623 18.3623 18.3623 20.6862 20.6862 20.6862 20.6862 k = 0.3194 0.1844 0.1531 ( 1354 PWs) bands (ev): -5.2530 -5.2530 -5.2530 -5.2530 -2.0288 -2.0288 -2.0288 -2.0288 3.1252 3.1252 3.1252 3.1252 4.8306 4.8306 4.8306 4.8306 6.3278 6.3278 6.3278 6.3278 8.1159 8.1159 8.1159 8.1159 10.1475 10.1475 10.1475 10.1475 10.4877 10.4877 10.4877 10.4877 18.3516 18.3516 18.3516 18.3516 20.6771 20.6771 20.6771 20.6771 k = 0.3264 0.1884 0.1531 ( 1350 PWs) bands (ev): -5.1478 -5.1478 -5.1478 -5.1478 -1.9320 -1.9320 -1.9320 -1.9320 2.9741 2.9741 2.9741 2.9741 4.8183 4.8183 4.8183 4.8183 6.1950 6.1950 6.1950 6.1950 8.0638 8.0638 8.0638 8.0638 10.0898 10.0898 10.0898 10.0898 10.4387 10.4387 10.4387 10.4387 18.3422 18.3422 18.3422 18.3422 20.6695 20.6695 20.6695 20.6695 k = 0.3333 0.1925 0.1531 ( 1350 PWs) bands (ev): -5.0407 -5.0407 -5.0407 -5.0407 -1.8340 -1.8340 -1.8340 -1.8340 2.8161 2.8161 2.8161 2.8161 4.8001 4.8001 4.8001 4.8001 6.0782 6.0782 6.0782 6.0782 8.0136 8.0136 8.0136 8.0136 10.0306 10.0306 10.0306 10.0306 10.3912 10.3912 10.3912 10.3912 18.3342 18.3342 18.3342 18.3342 20.6633 20.6633 20.6633 20.6633 k = 0.3403 0.1965 0.1531 ( 1350 PWs) bands (ev): -4.9317 -4.9317 -4.9317 -4.9317 -1.7349 -1.7349 -1.7349 -1.7349 2.6538 2.6538 2.6538 2.6538 4.7693 4.7693 4.7693 4.7693 5.9820 5.9820 5.9820 5.9820 7.9651 7.9651 7.9651 7.9651 9.9697 9.9697 9.9697 9.9697 10.3454 10.3454 10.3454 10.3454 18.3274 18.3274 18.3274 18.3274 20.6586 20.6586 20.6586 20.6586 k = 0.3472 0.2005 0.1531 ( 1350 PWs) bands (ev): -4.8208 -4.8208 -4.8208 -4.8208 -1.6350 -1.6350 -1.6350 -1.6350 2.4890 2.4890 2.4890 2.4890 4.7204 4.7204 4.7204 4.7204 5.9103 5.9103 5.9103 5.9103 7.9185 7.9185 7.9185 7.9185 9.9075 9.9075 9.9075 9.9075 10.3013 10.3013 10.3013 10.3013 18.3217 18.3217 18.3217 18.3217 20.6553 20.6553 20.6553 20.6553 k = 0.3542 0.2045 0.1531 ( 1346 PWs) bands (ev): -4.7081 -4.7081 -4.7081 -4.7081 -1.5345 -1.5345 -1.5345 -1.5345 2.3231 2.3231 2.3231 2.3231 4.6502 4.6502 4.6502 4.6502 5.8652 5.8652 5.8652 5.8652 7.8738 7.8738 7.8738 7.8738 9.8440 9.8440 9.8440 9.8440 10.2589 10.2589 10.2589 10.2589 18.3172 18.3172 18.3172 18.3172 20.6533 20.6533 20.6533 20.6533 k = 0.3611 0.2085 0.1531 ( 1354 PWs) bands (ev): -4.5938 -4.5938 -4.5938 -4.5938 -1.4338 -1.4338 -1.4338 -1.4338 2.1574 2.1574 2.1574 2.1574 4.5589 4.5589 4.5589 4.5589 5.8454 5.8454 5.8454 5.8454 7.8309 7.8309 7.8309 7.8309 9.7794 9.7794 9.7794 9.7794 10.2182 10.2182 10.2182 10.2182 18.3136 18.3136 18.3136 18.3136 20.6525 20.6525 20.6525 20.6525 k = 0.3681 0.2125 0.1531 ( 1358 PWs) bands (ev): -4.4778 -4.4778 -4.4778 -4.4778 -1.3332 -1.3332 -1.3332 -1.3332 1.9931 1.9931 1.9931 1.9931 4.4493 4.4493 4.4493 4.4493 5.8475 5.8475 5.8475 5.8475 7.7899 7.7899 7.7899 7.7899 9.7137 9.7137 9.7137 9.7137 10.1794 10.1794 10.1794 10.1794 18.3109 18.3109 18.3109 18.3109 20.6528 20.6528 20.6528 20.6528 k = 0.3750 0.2165 0.1531 ( 1352 PWs) bands (ev): -4.3603 -4.3603 -4.3603 -4.3603 -1.2334 -1.2334 -1.2334 -1.2334 1.8314 1.8314 1.8314 1.8314 4.3254 4.3254 4.3254 4.3254 5.8670 5.8670 5.8670 5.8670 7.7509 7.7509 7.7509 7.7509 9.6474 9.6474 9.6474 9.6474 10.1424 10.1424 10.1424 10.1424 18.3091 18.3091 18.3091 18.3091 20.6541 20.6541 20.6541 20.6541 k = 0.3819 0.2205 0.1531 ( 1352 PWs) bands (ev): -4.2413 -4.2413 -4.2413 -4.2413 -1.1351 -1.1351 -1.1351 -1.1351 1.6734 1.6734 1.6734 1.6734 4.1911 4.1911 4.1911 4.1911 5.8996 5.8996 5.8996 5.8996 7.7140 7.7140 7.7140 7.7140 9.5804 9.5804 9.5804 9.5804 10.1073 10.1073 10.1073 10.1073 18.3080 18.3080 18.3080 18.3080 20.6561 20.6561 20.6561 20.6561 k = 0.3889 0.2245 0.1531 ( 1352 PWs) bands (ev): -4.1209 -4.1209 -4.1209 -4.1209 -1.0395 -1.0395 -1.0395 -1.0395 1.5204 1.5204 1.5204 1.5204 4.0495 4.0495 4.0495 4.0495 5.9417 5.9417 5.9417 5.9417 7.6790 7.6790 7.6790 7.6790 9.5129 9.5129 9.5129 9.5129 10.0740 10.0740 10.0740 10.0740 18.3076 18.3076 18.3076 18.3076 20.6585 20.6585 20.6585 20.6585 k = 0.3958 0.2285 0.1531 ( 1352 PWs) bands (ev): -3.9994 -3.9994 -3.9994 -3.9994 -0.9478 -0.9478 -0.9478 -0.9478 1.3744 1.3744 1.3744 1.3744 3.9030 3.9030 3.9030 3.9030 5.9905 5.9905 5.9905 5.9905 7.6461 7.6461 7.6461 7.6461 9.4454 9.4454 9.4454 9.4454 10.0427 10.0427 10.0427 10.0427 18.3078 18.3078 18.3078 18.3078 20.6611 20.6611 20.6611 20.6611 k = 0.4028 0.2325 0.1531 ( 1352 PWs) bands (ev): -3.8769 -3.8769 -3.8769 -3.8769 -0.8622 -0.8622 -0.8622 -0.8622 1.2375 1.2375 1.2375 1.2375 3.7534 3.7534 3.7534 3.7534 6.0440 6.0440 6.0440 6.0440 7.6151 7.6151 7.6151 7.6151 9.3781 9.3781 9.3781 9.3781 10.0132 10.0132 10.0132 10.0132 18.3084 18.3084 18.3084 18.3084 20.6635 20.6635 20.6635 20.6635 k = 0.4097 0.2366 0.1531 ( 1356 PWs) bands (ev): -3.7536 -3.7536 -3.7536 -3.7536 -0.7852 -0.7852 -0.7852 -0.7852 1.1126 1.1126 1.1126 1.1126 3.6020 3.6020 3.6020 3.6020 6.1005 6.1005 6.1005 6.1005 7.5863 7.5863 7.5863 7.5863 9.3114 9.3114 9.3114 9.3114 9.9857 9.9857 9.9857 9.9857 18.3095 18.3095 18.3095 18.3095 20.6653 20.6653 20.6653 20.6653 k = 0.4167 0.2406 0.1531 ( 1362 PWs) bands (ev): -3.6298 -3.6298 -3.6298 -3.6298 -0.7204 -0.7204 -0.7204 -0.7204 1.0037 1.0037 1.0037 1.0037 3.4499 3.4499 3.4499 3.4499 6.1587 6.1587 6.1587 6.1587 7.5594 7.5594 7.5594 7.5594 9.2454 9.2454 9.2454 9.2454 9.9602 9.9602 9.9602 9.9602 18.3108 18.3108 18.3108 18.3108 20.6663 20.6663 20.6663 20.6663 k = 0.4236 0.2446 0.1531 ( 1362 PWs) bands (ev): -3.5059 -3.5059 -3.5059 -3.5059 -0.6722 -0.6722 -0.6722 -0.6722 0.9152 0.9152 0.9152 0.9152 3.2979 3.2979 3.2979 3.2979 6.2175 6.2175 6.2175 6.2175 7.5347 7.5347 7.5347 7.5347 9.1811 9.1811 9.1811 9.1811 9.9366 9.9366 9.9366 9.9366 18.3124 18.3124 18.3124 18.3124 20.6659 20.6659 20.6659 20.6659 k = 0.4306 0.2486 0.1531 ( 1358 PWs) bands (ev): -3.3823 -3.3823 -3.3823 -3.3823 -0.6451 -0.6451 -0.6451 -0.6451 0.8521 0.8521 0.8521 0.8521 3.1466 3.1466 3.1466 3.1466 6.2760 6.2760 6.2760 6.2760 7.5121 7.5121 7.5121 7.5121 9.1186 9.1186 9.1186 9.1186 9.9151 9.9151 9.9151 9.9151 18.3142 18.3142 18.3142 18.3142 20.6640 20.6640 20.6640 20.6640 k = 0.4375 0.2526 0.1531 ( 1358 PWs) bands (ev): -3.2596 -3.2596 -3.2596 -3.2596 -0.6425 -0.6425 -0.6425 -0.6425 0.8181 0.8181 0.8181 0.8181 2.9969 2.9969 2.9969 2.9969 6.3329 6.3329 6.3329 6.3329 7.4917 7.4917 7.4917 7.4917 9.0586 9.0586 9.0586 9.0586 9.8955 9.8955 9.8955 9.8955 18.3160 18.3160 18.3160 18.3160 20.6604 20.6604 20.6604 20.6604 k = 0.4444 0.2566 0.1531 ( 1358 PWs) bands (ev): -3.1387 -3.1387 -3.1387 -3.1387 -0.6652 -0.6652 -0.6652 -0.6652 0.8146 0.8146 0.8146 0.8146 2.8492 2.8492 2.8492 2.8492 6.3876 6.3876 6.3876 6.3876 7.4733 7.4733 7.4733 7.4733 9.0018 9.0018 9.0018 9.0018 9.8780 9.8780 9.8780 9.8780 18.3179 18.3179 18.3179 18.3179 20.6552 20.6552 20.6552 20.6552 k = 0.4514 0.2606 0.1531 ( 1360 PWs) bands (ev): -3.0206 -3.0206 -3.0206 -3.0206 -0.7103 -0.7103 -0.7103 -0.7103 0.8390 0.8390 0.8390 0.8390 2.7046 2.7046 2.7046 2.7046 6.4390 6.4390 6.4390 6.4390 7.4571 7.4571 7.4571 7.4571 8.9488 8.9488 8.9488 8.9488 9.8625 9.8625 9.8625 9.8625 18.3197 18.3197 18.3197 18.3197 20.6487 20.6487 20.6487 20.6487 k = 0.4583 0.2646 0.1531 ( 1364 PWs) bands (ev): -2.9069 -2.9069 -2.9069 -2.9069 -0.7722 -0.7722 -0.7722 -0.7722 0.8865 0.8865 0.8865 0.8865 2.5639 2.5639 2.5639 2.5639 6.4862 6.4862 6.4862 6.4862 7.4430 7.4430 7.4430 7.4430 8.9004 8.9004 8.9004 8.9004 9.8491 9.8491 9.8491 9.8491 18.3214 18.3214 18.3214 18.3214 20.6413 20.6413 20.6413 20.6413 k = 0.4653 0.2686 0.1531 ( 1364 PWs) bands (ev): -2.7995 -2.7995 -2.7995 -2.7995 -0.8439 -0.8439 -0.8439 -0.8439 0.9508 0.9508 0.9508 0.9508 2.4288 2.4288 2.4288 2.4288 6.5283 6.5283 6.5283 6.5283 7.4311 7.4311 7.4311 7.4311 8.8575 8.8575 8.8575 8.8575 9.8377 9.8377 9.8377 9.8377 18.3230 18.3230 18.3230 18.3230 20.6337 20.6337 20.6337 20.6337 k = 0.4722 0.2726 0.1531 ( 1368 PWs) bands (ev): -2.7015 -2.7015 -2.7015 -2.7015 -0.9182 -0.9182 -0.9182 -0.9182 1.0253 1.0253 1.0253 1.0253 2.3015 2.3015 2.3015 2.3015 6.5644 6.5644 6.5644 6.5644 7.4213 7.4213 7.4213 7.4213 8.8209 8.8209 8.8209 8.8209 9.8284 9.8284 9.8284 9.8284 18.3243 18.3243 18.3243 18.3243 20.6266 20.6266 20.6266 20.6266 k = 0.4792 0.2766 0.1531 ( 1368 PWs) bands (ev): -2.6167 -2.6167 -2.6167 -2.6167 -0.9876 -0.9876 -0.9876 -0.9876 1.1028 1.1028 1.1028 1.1028 2.1860 2.1860 2.1860 2.1860 6.5936 6.5936 6.5936 6.5936 7.4137 7.4137 7.4137 7.4137 8.7913 8.7913 8.7913 8.7913 9.8212 9.8212 9.8212 9.8212 18.3253 18.3253 18.3253 18.3253 20.6203 20.6203 20.6203 20.6203 k = 0.4861 0.2807 0.1531 ( 1368 PWs) bands (ev): -2.5500 -2.5500 -2.5500 -2.5500 -1.0448 -1.0448 -1.0448 -1.0448 1.1741 1.1741 1.1741 1.1741 2.0890 2.0890 2.0890 2.0890 6.6151 6.6151 6.6151 6.6151 7.4083 7.4083 7.4083 7.4083 8.7696 8.7696 8.7696 8.7696 9.8160 9.8160 9.8160 9.8160 18.3261 18.3261 18.3261 18.3261 20.6156 20.6156 20.6156 20.6156 k = 0.4931 0.2847 0.1531 ( 1372 PWs) bands (ev): -2.5069 -2.5069 -2.5069 -2.5069 -1.0828 -1.0828 -1.0828 -1.0828 1.2270 1.2270 1.2270 1.2270 2.0212 2.0212 2.0212 2.0212 6.6282 6.6282 6.6282 6.6282 7.4050 7.4050 7.4050 7.4050 8.7563 8.7563 8.7563 8.7563 9.8129 9.8129 9.8129 9.8129 18.3266 18.3266 18.3266 18.3266 20.6125 20.6125 20.6125 20.6125 k = 0.5000 0.2887 0.1531 ( 1372 PWs) bands (ev): -2.4919 -2.4919 -2.4919 -2.4919 -1.0962 -1.0962 -1.0962 -1.0962 1.2471 1.2471 1.2471 1.2471 1.9963 1.9963 1.9963 1.9963 6.6326 6.6326 6.6326 6.6326 7.4039 7.4039 7.4039 7.4039 8.7519 8.7519 8.7519 8.7519 9.8118 9.8118 9.8118 9.8118 18.3268 18.3268 18.3268 18.3268 20.6115 20.6115 20.6115 20.6115 k = 0.5000 0.2887 0.1531 ( 1372 PWs) bands (ev): -2.4919 -2.4919 -2.4919 -2.4919 -1.0962 -1.0962 -1.0962 -1.0962 1.2471 1.2471 1.2471 1.2471 1.9963 1.9963 1.9963 1.9963 6.6326 6.6326 6.6326 6.6326 7.4039 7.4039 7.4039 7.4039 8.7519 8.7519 8.7519 8.7519 9.8118 9.8118 9.8118 9.8118 18.3268 18.3268 18.3268 18.3268 20.6115 20.6115 20.6115 20.6115 k = 0.4960 0.2955 0.1531 ( 1372 PWs) bands (ev): -2.4909 -2.4909 -2.4909 -2.4909 -1.0953 -1.0953 -1.0953 -1.0953 1.2480 1.2480 1.2481 1.2481 1.9970 1.9970 1.9970 1.9970 6.6327 6.6327 6.6327 6.6327 7.3983 7.3983 7.3984 7.3984 8.7498 8.7498 8.7499 8.7499 9.8080 9.8080 9.8082 9.8082 18.3352 18.3352 18.3352 18.3352 20.6093 20.6093 20.6093 20.6093 k = 0.4921 0.3024 0.1531 ( 1374 PWs) bands (ev): -2.4877 -2.4877 -2.4877 -2.4877 -1.0926 -1.0926 -1.0926 -1.0926 1.2510 1.2510 1.2510 1.2510 1.9990 1.9990 1.9991 1.9991 6.6326 6.6326 6.6327 6.6327 7.3817 7.3817 7.3819 7.3819 8.7435 8.7435 8.7438 8.7438 9.7969 9.7969 9.7972 9.7972 18.3605 18.3605 18.3606 18.3606 20.6024 20.6024 20.6025 20.6025 k = 0.4881 0.3093 0.1531 ( 1374 PWs) bands (ev): -2.4825 -2.4825 -2.4825 -2.4825 -1.0881 -1.0881 -1.0881 -1.0881 1.2558 1.2558 1.2558 1.2558 2.0025 2.0025 2.0025 2.0025 6.6324 6.6324 6.6324 6.6324 7.3546 7.3546 7.3549 7.3549 8.7330 8.7330 8.7334 8.7334 9.7787 9.7787 9.7792 9.7792 18.4025 18.4025 18.4025 18.4025 20.5907 20.5907 20.5908 20.5908 k = 0.4841 0.3162 0.1531 ( 1374 PWs) bands (ev): -2.4752 -2.4752 -2.4752 -2.4752 -1.0818 -1.0818 -1.0818 -1.0818 1.2626 1.2626 1.2626 1.2626 2.0072 2.0072 2.0073 2.0073 6.6314 6.6314 6.6315 6.6315 7.3177 7.3177 7.3181 7.3181 8.7178 8.7178 8.7184 8.7184 9.7541 9.7541 9.7548 9.7548 18.4607 18.4607 18.4608 18.4608 20.5737 20.5737 20.5739 20.5739 k = 0.4802 0.3230 0.1531 ( 1372 PWs) bands (ev): -2.4657 -2.4657 -2.4657 -2.4657 -1.0738 -1.0738 -1.0738 -1.0738 1.2713 1.2713 1.2713 1.2713 2.0133 2.0133 2.0134 2.0134 6.6290 6.6290 6.6292 6.6292 7.2723 7.2723 7.2728 7.2728 8.6976 8.6976 8.6983 8.6983 9.7237 9.7237 9.7245 9.7245 18.5348 18.5348 18.5350 18.5350 20.5513 20.5513 20.5515 20.5515 k = 0.4762 0.3299 0.1531 ( 1376 PWs) bands (ev): -2.4543 -2.4543 -2.4543 -2.4543 -1.0640 -1.0640 -1.0640 -1.0640 1.2820 1.2820 1.2820 1.2820 2.0207 2.0207 2.0208 2.0208 6.6240 6.6240 6.6242 6.6242 7.2201 7.2201 7.2207 7.2207 8.6717 8.6717 8.6725 8.6725 9.6884 9.6884 9.6894 9.6894 18.6243 18.6243 18.6244 18.6244 20.5233 20.5233 20.5235 20.5235 k = 0.4722 0.3368 0.1531 ( 1372 PWs) bands (ev): -2.4406 -2.4406 -2.4406 -2.4406 -1.0525 -1.0525 -1.0524 -1.0524 1.2946 1.2946 1.2946 1.2946 2.0293 2.0293 2.0295 2.0295 6.6144 6.6144 6.6146 6.6146 7.1636 7.1636 7.1644 7.1644 8.6396 8.6396 8.6406 8.6406 9.6493 9.6493 9.6505 9.6505 18.7284 18.7284 18.7286 18.7286 20.4898 20.4898 20.4900 20.4900 k = 0.4683 0.3437 0.1531 ( 1368 PWs) bands (ev): -2.4250 -2.4250 -2.4249 -2.4249 -1.0392 -1.0392 -1.0392 -1.0392 1.3090 1.3090 1.3090 1.3090 2.0391 2.0391 2.0393 2.0393 6.5974 6.5974 6.5977 6.5977 7.1065 7.1065 7.1074 7.1074 8.6007 8.6007 8.6017 8.6017 9.6077 9.6077 9.6090 9.6090 18.8465 18.8465 18.8467 18.8467 20.4512 20.4512 20.4514 20.4514 k = 0.4643 0.3505 0.1531 ( 1368 PWs) bands (ev): -2.4072 -2.4072 -2.4072 -2.4072 -1.0243 -1.0243 -1.0242 -1.0242 1.3254 1.3254 1.3254 1.3254 2.0500 2.0500 2.0503 2.0503 6.5691 6.5691 6.5694 6.5694 7.0533 7.0533 7.0543 7.0543 8.5541 8.5541 8.5553 8.5553 9.5645 9.5645 9.5659 9.5659 18.9777 18.9777 18.9780 18.9780 20.4075 20.4075 20.4077 20.4077 k = 0.4603 0.3574 0.1531 ( 1364 PWs) bands (ev): -2.3873 -2.3873 -2.3873 -2.3873 -1.0076 -1.0076 -1.0076 -1.0076 1.3436 1.3436 1.3437 1.3437 2.0620 2.0620 2.0623 2.0623 6.5252 6.5252 6.5255 6.5255 7.0090 7.0090 7.0101 7.0101 8.4994 8.4994 8.5006 8.5006 9.5209 9.5209 9.5225 9.5225 19.1214 19.1214 19.1217 19.1217 20.3594 20.3594 20.3596 20.3596 k = 0.4563 0.3643 0.1531 ( 1364 PWs) bands (ev): -2.3653 -2.3653 -2.3653 -2.3653 -0.9894 -0.9894 -0.9894 -0.9894 1.3638 1.3638 1.3638 1.3638 2.0749 2.0749 2.0753 2.0753 6.4630 6.4630 6.4634 6.4634 6.9771 6.9771 6.9783 6.9783 8.4361 8.4361 8.4375 8.4375 9.4781 9.4781 9.4797 9.4797 19.2765 19.2765 19.2768 19.2768 20.3072 20.3072 20.3074 20.3074 k = 0.4524 0.3712 0.1531 ( 1364 PWs) bands (ev): -2.3413 -2.3413 -2.3413 -2.3413 -0.9696 -0.9696 -0.9696 -0.9696 1.3857 1.3857 1.3858 1.3858 2.0887 2.0887 2.0890 2.0890 6.3829 6.3829 6.3832 6.3832 6.9581 6.9581 6.9593 6.9593 8.3642 8.3642 8.3656 8.3656 9.4366 9.4366 9.4382 9.4382 19.4420 19.4420 19.4424 19.4424 20.2516 20.2516 20.2517 20.2517 k = 0.4484 0.3780 0.1531 ( 1364 PWs) bands (ev): -2.3152 -2.3152 -2.3152 -2.3152 -0.9482 -0.9482 -0.9482 -0.9482 1.4095 1.4095 1.4096 1.4096 2.1032 2.1032 2.1036 2.1036 6.2874 6.2874 6.2876 6.2876 6.9499 6.9499 6.9511 6.9511 8.2838 8.2838 8.2853 8.2853 9.3971 9.3971 9.3987 9.3987 19.6167 19.6167 19.6171 19.6171 20.1937 20.1937 20.1938 20.1938 k = 0.4444 0.3849 0.1531 ( 1364 PWs) bands (ev): -2.2871 -2.2871 -2.2871 -2.2871 -0.9254 -0.9254 -0.9253 -0.9253 1.4351 1.4351 1.4351 1.4351 2.1182 2.1182 2.1187 2.1187 6.1802 6.1802 6.1803 6.1803 6.9496 6.9496 6.9508 6.9508 8.1956 8.1956 8.1970 8.1970 9.3597 9.3597 9.3614 9.3614 19.7970 19.7970 19.7975 19.7975 20.1362 20.1362 20.1363 20.1363 k = 0.4405 0.3918 0.1531 ( 1364 PWs) bands (ev): -2.2568 -2.2568 -2.2568 -2.2568 -0.9011 -0.9011 -0.9011 -0.9011 1.4624 1.4624 1.4624 1.4624 2.1337 2.1337 2.1341 2.1341 6.0641 6.0641 6.0642 6.0642 6.9546 6.9546 6.9557 6.9557 8.1003 8.1003 8.1017 8.1017 9.3244 9.3244 9.3261 9.3261 19.9598 19.9598 19.9604 19.9604 20.1024 20.1024 20.1026 20.1026 k = 0.4365 0.3986 0.1531 ( 1364 PWs) bands (ev): -2.2245 -2.2245 -2.2245 -2.2245 -0.8755 -0.8755 -0.8754 -0.8754 1.4914 1.4914 1.4915 1.4915 2.1493 2.1493 2.1498 2.1498 5.9415 5.9415 5.9416 5.9416 6.9630 6.9630 6.9641 6.9641 7.9992 7.9992 8.0006 8.0006 9.2912 9.2912 9.2929 9.2929 19.9704 19.9704 19.9707 19.9707 20.2267 20.2267 20.2269 20.2269 k = 0.4325 0.4055 0.1531 ( 1364 PWs) bands (ev): -2.1902 -2.1902 -2.1902 -2.1902 -0.8486 -0.8486 -0.8486 -0.8486 1.5221 1.5221 1.5222 1.5222 2.1649 2.1649 2.1654 2.1654 5.8146 5.8146 5.8147 5.8147 6.9725 6.9725 6.9736 6.9736 7.8938 7.8938 7.8952 7.8952 9.2596 9.2596 9.2612 9.2612 19.9108 19.9108 19.9111 19.9111 20.4264 20.4264 20.4268 20.4268 k = 0.4286 0.4124 0.1531 ( 1360 PWs) bands (ev): -2.1538 -2.1538 -2.1538 -2.1538 -0.8206 -0.8206 -0.8206 -0.8206 1.5545 1.5545 1.5545 1.5545 2.1802 2.1802 2.1807 2.1807 5.6848 5.6848 5.6850 5.6850 6.9810 6.9810 6.9821 6.9821 7.7869 7.7869 7.7883 7.7883 9.2294 9.2294 9.2311 9.2311 19.8433 19.8433 19.8437 19.8437 20.6392 20.6392 20.6396 20.6396 k = 0.4246 0.4193 0.1531 ( 1362 PWs) bands (ev): -2.1154 -2.1154 -2.1153 -2.1153 -0.7916 -0.7916 -0.7915 -0.7915 1.5884 1.5884 1.5884 1.5884 2.1948 2.1948 2.1953 2.1953 5.5533 5.5533 5.5535 5.5535 6.9852 6.9852 6.9863 6.9863 7.6818 7.6818 7.6831 7.6831 9.2002 9.2002 9.2017 9.2017 19.7735 19.7735 19.7739 19.7739 20.8590 20.8590 20.8595 20.8595 k = 0.4206 0.4261 0.1531 ( 1366 PWs) bands (ev): -2.0749 -2.0749 -2.0749 -2.0749 -0.7616 -0.7616 -0.7615 -0.7615 1.6237 1.6237 1.6238 1.6238 2.2084 2.2084 2.2090 2.2090 5.4217 5.4217 5.4220 5.4220 6.9803 6.9803 6.9814 6.9814 7.5837 7.5837 7.5849 7.5849 9.1715 9.1715 9.1730 9.1730 19.7028 19.7028 19.7032 19.7032 21.0842 21.0842 21.0848 21.0848 k = 0.4167 0.4330 0.1531 ( 1368 PWs) bands (ev): -2.0325 -2.0325 -2.0324 -2.0324 -0.7309 -0.7309 -0.7308 -0.7308 1.6605 1.6605 1.6606 1.6606 2.2206 2.2206 2.2213 2.2213 5.2911 5.2911 5.2915 5.2915 6.9588 6.9588 6.9598 6.9598 7.5007 7.5007 7.5017 7.5017 9.1430 9.1430 9.1445 9.1445 19.6320 19.6320 19.6324 19.6324 21.3137 21.3137 21.3143 21.3143 k = 0.4127 0.4399 0.1531 ( 1372 PWs) bands (ev): -1.9880 -1.9880 -1.9880 -1.9880 -0.6996 -0.6996 -0.6995 -0.6995 1.6986 1.6986 1.6987 1.6987 2.2310 2.2310 2.2317 2.2317 5.1627 5.1627 5.1631 5.1631 6.9125 6.9125 6.9134 6.9134 7.4416 7.4416 7.4424 7.4424 9.1145 9.1145 9.1159 9.1159 19.5615 19.5615 19.5620 19.5620 21.5464 21.5464 21.5470 21.5470 k = 0.4087 0.4468 0.1531 ( 1372 PWs) bands (ev): -1.9415 -1.9415 -1.9415 -1.9415 -0.6679 -0.6679 -0.6678 -0.6678 1.7377 1.7377 1.7379 1.7379 2.2390 2.2390 2.2397 2.2397 5.0376 5.0376 5.0381 5.0381 6.8378 6.8378 6.8384 6.8384 7.4106 7.4106 7.4111 7.4111 9.0856 9.0856 9.0871 9.0871 19.4920 19.4920 19.4925 19.4925 21.7813 21.7813 21.7820 21.7820 k = 0.4048 0.4536 0.1531 ( 1380 PWs) bands (ev): -1.8931 -1.8931 -1.8930 -1.8930 -0.6361 -0.6361 -0.6360 -0.6360 1.7778 1.7778 1.7780 1.7780 2.2442 2.2442 2.2450 2.2450 4.9169 4.9169 4.9174 4.9174 6.7388 6.7388 6.7393 6.7393 7.4038 7.4038 7.4040 7.4040 9.0562 9.0562 9.0576 9.0576 19.4237 19.4237 19.4242 19.4242 22.0172 22.0172 22.0180 22.0180 k = 0.4008 0.4605 0.1531 ( 1380 PWs) bands (ev): -1.8426 -1.8426 -1.8426 -1.8426 -0.6045 -0.6045 -0.6044 -0.6044 1.8186 1.8186 1.8188 1.8188 2.2462 2.2462 2.2469 2.2469 4.8021 4.8021 4.8026 4.8026 6.6234 6.6234 6.6237 6.6237 7.4142 7.4142 7.4142 7.4142 9.0259 9.0259 9.0273 9.0273 19.3571 19.3571 19.3577 19.3577 22.2527 22.2527 22.2536 22.2536 k = 0.3968 0.4674 0.1531 ( 1382 PWs) bands (ev): -1.7902 -1.7902 -1.7902 -1.7902 -0.5734 -0.5734 -0.5733 -0.5733 1.8596 1.8596 1.8599 1.8599 2.2445 2.2445 2.2452 2.2452 4.6942 4.6942 4.6948 4.6948 6.4978 6.4978 6.4980 6.4980 7.4356 7.4356 7.4357 7.4357 8.9945 8.9945 8.9958 8.9958 19.2924 19.2924 19.2931 19.2931 22.4852 22.4852 22.4861 22.4861 k = 0.3929 0.4743 0.1531 ( 1378 PWs) bands (ev): -1.7359 -1.7359 -1.7359 -1.7359 -0.5432 -0.5432 -0.5431 -0.5431 1.9002 1.9002 1.9006 1.9006 2.2390 2.2390 2.2398 2.2398 4.5944 4.5944 4.5949 4.5949 6.3665 6.3665 6.3667 6.3667 7.4645 7.4645 7.4648 7.4648 8.9621 8.9621 8.9633 8.9633 19.2302 19.2302 19.2309 19.2309 22.7062 22.7062 22.7074 22.7074 k = 0.3889 0.4811 0.1531 ( 1374 PWs) bands (ev): -1.6796 -1.6796 -1.6796 -1.6796 -0.5144 -0.5144 -0.5143 -0.5143 1.9393 1.9393 1.9398 1.9398 2.2304 2.2304 2.2311 2.2311 4.5037 4.5037 4.5042 4.5042 6.2323 6.2323 6.2324 6.2324 7.4987 7.4987 7.4991 7.4991 8.9282 8.9282 8.9295 8.9295 19.1706 19.1706 19.1713 19.1713 22.8567 22.8567 22.8576 22.8576 k = 0.3849 0.4880 0.1531 ( 1374 PWs) bands (ev): -1.6215 -1.6215 -1.6215 -1.6215 -0.4876 -0.4876 -0.4874 -0.4874 1.9748 1.9748 1.9755 1.9755 2.2201 2.2201 2.2207 2.2207 4.4229 4.4229 4.4235 4.4235 6.0971 6.0971 6.0972 6.0972 7.5368 7.5368 7.5372 7.5372 8.8930 8.8930 8.8942 8.8942 19.1139 19.1139 19.1147 19.1147 22.9140 22.9140 22.9144 22.9144 k = 0.3810 0.4949 0.1531 ( 1374 PWs) bands (ev): -1.5615 -1.5615 -1.5615 -1.5615 -0.4634 -0.4634 -0.4632 -0.4632 2.0027 2.0027 2.0037 2.0037 2.2119 2.2119 2.2122 2.2122 4.3526 4.3526 4.3532 4.3532 5.9624 5.9624 5.9626 5.9626 7.5780 7.5780 7.5785 7.5785 8.8561 8.8561 8.8573 8.8573 19.0604 19.0604 19.0612 19.0612 22.9556 22.9556 22.9558 22.9558 k = 0.3770 0.5017 0.1531 ( 1378 PWs) bands (ev): -1.4997 -1.4997 -1.4997 -1.4997 -0.4425 -0.4425 -0.4423 -0.4423 2.0169 2.0169 2.0182 2.0182 2.2122 2.2122 2.2122 2.2122 4.2930 4.2930 4.2936 4.2936 5.8296 5.8296 5.8298 5.8298 7.6217 7.6217 7.6223 7.6223 8.8175 8.8175 8.8187 8.8187 19.0103 19.0103 19.0111 19.0111 22.9939 22.9939 22.9941 22.9941 k = 0.3730 0.5086 0.1531 ( 1378 PWs) bands (ev): -1.4361 -1.4361 -1.4361 -1.4361 -0.4258 -0.4258 -0.4255 -0.4255 2.0125 2.0125 2.0140 2.0140 2.2260 2.2260 2.2261 2.2261 4.2440 4.2440 4.2445 4.2445 5.7001 5.7001 5.7004 5.7004 7.6675 7.6675 7.6681 7.6681 8.7774 8.7774 8.7785 8.7785 18.9639 18.9639 18.9647 18.9647 23.0307 23.0307 23.0308 23.0308 k = 0.3690 0.5155 0.1531 ( 1378 PWs) bands (ev): -1.3708 -1.3708 -1.3707 -1.3707 -0.4142 -0.4142 -0.4140 -0.4140 1.9919 1.9919 1.9935 1.9935 2.2520 2.2520 2.2522 2.2522 4.2049 4.2049 4.2054 4.2054 5.5753 5.5753 5.5756 5.5756 7.7151 7.7151 7.7158 7.7158 8.7356 8.7356 8.7367 8.7367 18.9214 18.9214 18.9222 18.9222 23.0663 23.0663 23.0664 23.0664 k = 0.3651 0.5224 0.1531 ( 1380 PWs) bands (ev): -1.3037 -1.3037 -1.3037 -1.3037 -0.4089 -0.4089 -0.4086 -0.4086 1.9614 1.9614 1.9630 1.9630 2.2849 2.2849 2.2851 2.2851 4.1748 4.1748 4.1753 4.1753 5.4565 5.4565 5.4568 5.4568 7.7642 7.7642 7.7649 7.7649 8.6922 8.6922 8.6932 8.6932 18.8829 18.8829 18.8837 18.8837 23.1007 23.1007 23.1007 23.1007 k = 0.3611 0.5292 0.1531 ( 1380 PWs) bands (ev): -1.2351 -1.2351 -1.2350 -1.2350 -0.4107 -0.4107 -0.4105 -0.4105 1.9265 1.9265 1.9281 1.9281 2.3203 2.3203 2.3205 2.3205 4.1523 4.1523 4.1527 4.1527 5.3455 5.3455 5.3459 5.3459 7.8145 7.8145 7.8152 7.8152 8.6472 8.6472 8.6482 8.6482 18.8486 18.8486 18.8494 18.8494 23.1335 23.1335 23.1335 23.1335 k = 0.3571 0.5361 0.1531 ( 1388 PWs) bands (ev): -1.1649 -1.1649 -1.1649 -1.1649 -0.4210 -0.4210 -0.4207 -0.4207 1.8910 1.8910 1.8926 1.8926 2.3556 2.3556 2.3557 2.3557 4.1358 4.1358 4.1361 4.1361 5.2442 5.2442 5.2446 5.2446 7.8656 7.8656 7.8663 7.8663 8.6008 8.6008 8.6019 8.6019 18.8185 18.8185 18.8194 18.8194 23.1645 23.1645 23.1645 23.1645 k = 0.3532 0.5430 0.1531 ( 1384 PWs) bands (ev): -1.0933 -1.0933 -1.0933 -1.0933 -0.4404 -0.4404 -0.4401 -0.4401 1.8579 1.8579 1.8594 1.8594 2.3887 2.3887 2.3889 2.3889 4.1237 4.1237 4.1240 4.1240 5.1546 5.1546 5.1552 5.1552 7.9171 7.9171 7.9178 7.9178 8.5535 8.5535 8.5545 8.5545 18.7930 18.7930 18.7939 18.7939 23.1930 23.1930 23.1930 23.1930 k = 0.3492 0.5499 0.1531 ( 1384 PWs) bands (ev): -1.0206 -1.0206 -1.0205 -1.0205 -0.4699 -0.4699 -0.4695 -0.4695 1.8292 1.8292 1.8307 1.8307 2.4183 2.4183 2.4184 2.4184 4.1144 4.1144 4.1145 4.1145 5.0790 5.0790 5.0796 5.0796 7.9682 7.9682 7.9690 7.9690 8.5059 8.5059 8.5069 8.5069 18.7719 18.7719 18.7729 18.7729 23.2185 23.2185 23.2185 23.2185 k = 0.3452 0.5567 0.1531 ( 1392 PWs) bands (ev): -0.9472 -0.9472 -0.9471 -0.9471 -0.5095 -0.5095 -0.5091 -0.5091 1.8064 1.8064 1.8079 1.8079 2.4427 2.4427 2.4428 2.4428 4.1065 4.1065 4.1066 4.1066 5.0191 5.0191 5.0198 5.0198 8.0176 8.0176 8.0185 8.0185 8.4592 8.4592 8.4602 8.4602 18.7555 18.7555 18.7564 18.7564 23.2401 23.2401 23.2402 23.2402 k = 0.3413 0.5636 0.1531 ( 1384 PWs) bands (ev): -0.8739 -0.8739 -0.8738 -0.8738 -0.5587 -0.5587 -0.5583 -0.5583 1.7904 1.7904 1.7919 1.7919 2.4611 2.4611 2.4612 2.4612 4.0998 4.0998 4.0999 4.0999 4.9765 4.9765 4.9772 4.9772 8.0626 8.0626 8.0634 8.0634 8.4162 8.4162 8.4172 8.4172 18.7438 18.7438 18.7447 18.7447 23.2570 23.2570 23.2571 23.2571 k = 0.3373 0.5705 0.1531 ( 1380 PWs) bands (ev): -0.8049 -0.8049 -0.8045 -0.8045 -0.6137 -0.6137 -0.6131 -0.6131 1.7814 1.7814 1.7828 1.7828 2.4724 2.4724 2.4724 2.4724 4.0946 4.0946 4.0947 4.0947 4.9514 4.9514 4.9522 4.9522 8.0972 8.0972 8.0981 8.0981 8.3828 8.3828 8.3837 8.3837 18.7367 18.7367 18.7377 18.7377 23.2680 23.2680 23.2681 23.2681 k = 0.3333 0.5774 0.1531 ( 1380 PWs) bands (ev): -0.7649 -0.7649 -0.7642 -0.7642 -0.6495 -0.6495 -0.6485 -0.6485 1.7786 1.7786 1.7800 1.7800 2.4761 2.4761 2.4761 2.4761 4.0925 4.0925 4.0925 4.0925 4.9434 4.9434 4.9441 4.9441 8.1112 8.1112 8.1121 8.1121 8.3692 8.3692 8.3701 8.3701 18.7344 18.7344 18.7353 18.7353 23.2719 23.2719 23.2720 23.2720 k = 0.3333 0.5774 0.1531 ( 1380 PWs) bands (ev): -0.7649 -0.7649 -0.7642 -0.7642 -0.6495 -0.6495 -0.6485 -0.6485 1.7786 1.7786 1.7800 1.7800 2.4761 2.4761 2.4761 2.4761 4.0925 4.0925 4.0925 4.0925 4.9434 4.9434 4.9441 4.9441 8.1112 8.1112 8.1121 8.1121 8.3692 8.3692 8.3701 8.3701 18.7344 18.7344 18.7353 18.7353 23.2719 23.2719 23.2720 23.2720 k = 0.3294 0.5705 0.1531 ( 1380 PWs) bands (ev): -0.8091 -0.8091 -0.8087 -0.8087 -0.6093 -0.6093 -0.6087 -0.6087 1.7808 1.7808 1.7822 1.7822 2.4727 2.4727 2.4727 2.4727 4.0953 4.0953 4.0954 4.0954 4.9508 4.9508 4.9516 4.9516 8.0966 8.0966 8.0975 8.0975 8.3834 8.3834 8.3843 8.3843 18.7367 18.7367 18.7377 18.7377 23.2676 23.2676 23.2677 23.2677 k = 0.3254 0.5636 0.1531 ( 1388 PWs) bands (ev): -0.8930 -0.8930 -0.8929 -0.8929 -0.5381 -0.5381 -0.5377 -0.5377 1.7858 1.7858 1.7872 1.7872 2.4638 2.4638 2.4638 2.4638 4.1051 4.1051 4.1052 4.1052 4.9718 4.9718 4.9725 4.9725 8.0589 8.0589 8.0597 8.0597 8.4200 8.4200 8.4210 8.4210 18.7437 18.7437 18.7447 18.7447 23.2538 23.2538 23.2539 23.2539 k = 0.3214 0.5567 0.1531 ( 1388 PWs) bands (ev): -0.9904 -0.9904 -0.9903 -0.9903 -0.4613 -0.4613 -0.4609 -0.4609 1.7906 1.7906 1.7920 1.7920 2.4523 2.4523 2.4524 2.4524 4.1233 4.1233 4.1234 4.1234 5.0043 5.0043 5.0050 5.0050 8.0078 8.0078 8.0086 8.0086 8.4693 8.4693 8.4703 8.4703 18.7554 18.7554 18.7564 18.7564 23.2298 23.2298 23.2299 23.2299 k = 0.3175 0.5499 0.1531 ( 1388 PWs) bands (ev): -1.0962 -1.0962 -1.0961 -1.0961 -0.3831 -0.3831 -0.3827 -0.3827 1.7914 1.7914 1.7929 1.7929 2.4425 2.4425 2.4426 2.4426 4.1507 4.1507 4.1508 4.1508 5.0464 5.0464 5.0470 5.0470 7.9495 7.9495 7.9503 7.9503 8.5253 8.5253 8.5263 8.5263 18.7717 18.7717 18.7726 18.7726 23.1951 23.1951 23.1951 23.1951 k = 0.3135 0.5430 0.1531 ( 1388 PWs) bands (ev): -1.2086 -1.2086 -1.2086 -1.2086 -0.3050 -0.3050 -0.3047 -0.3047 1.7843 1.7843 1.7858 1.7858 2.4396 2.4396 2.4398 2.4398 4.1874 4.1874 4.1875 4.1875 5.0964 5.0964 5.0970 5.0970 7.8869 7.8869 7.8877 7.8877 8.5850 8.5850 8.5860 8.5860 18.7925 18.7925 18.7935 18.7935 23.1497 23.1497 23.1497 23.1497 k = 0.3095 0.5361 0.1531 ( 1384 PWs) bands (ev): -1.3263 -1.3263 -1.3263 -1.3263 -0.2281 -0.2281 -0.2278 -0.2278 1.7661 1.7661 1.7676 1.7676 2.4482 2.4482 2.4483 2.4483 4.2329 4.2329 4.2330 4.2330 5.1530 5.1530 5.1536 5.1536 7.8216 7.8216 7.8223 7.8223 8.6472 8.6472 8.6482 8.6482 18.8178 18.8178 18.8187 18.8187 23.0942 23.0942 23.0943 23.0943 k = 0.3056 0.5292 0.1531 ( 1380 PWs) bands (ev): -1.4483 -1.4483 -1.4483 -1.4483 -0.1535 -0.1535 -0.1532 -0.1532 1.7361 1.7361 1.7376 1.7376 2.4708 2.4708 2.4709 2.4709 4.2866 4.2866 4.2867 4.2867 5.2150 5.2150 5.2156 5.2156 7.7544 7.7544 7.7551 7.7551 8.7110 8.7110 8.7121 8.7121 18.8475 18.8475 18.8484 18.8484 23.0296 23.0296 23.0298 23.0298 k = 0.3016 0.5224 0.1531 ( 1376 PWs) bands (ev): -1.5738 -1.5738 -1.5738 -1.5738 -0.0826 -0.0826 -0.0822 -0.0822 1.6961 1.6961 1.6975 1.6975 2.5079 2.5079 2.5080 2.5080 4.3477 4.3477 4.3478 4.3478 5.2815 5.2815 5.2820 5.2820 7.6860 7.6860 7.6867 7.6867 8.7761 8.7761 8.7772 8.7772 18.8814 18.8814 18.8823 18.8823 22.9572 22.9572 22.9574 22.9574 k = 0.2976 0.5155 0.1531 ( 1376 PWs) bands (ev): -1.7020 -1.7020 -1.7020 -1.7020 -0.0170 -0.0170 -0.0166 -0.0166 1.6499 1.6499 1.6513 1.6513 2.5581 2.5581 2.5581 2.5581 4.4152 4.4152 4.4153 4.4153 5.3517 5.3517 5.3522 5.3522 7.6169 7.6169 7.6176 7.6176 8.8420 8.8420 8.8431 8.8431 18.9195 18.9195 18.9203 18.9203 22.8782 22.8782 22.8784 22.8784 k = 0.2937 0.5086 0.1531 ( 1380 PWs) bands (ev): -1.8325 -1.8325 -1.8325 -1.8325 0.0410 0.0410 0.0414 0.0414 1.6023 1.6023 1.6036 1.6036 2.6194 2.6194 2.6194 2.6194 4.4885 4.4885 4.4886 4.4886 5.4247 5.4247 5.4252 5.4252 7.5477 7.5477 7.5483 7.5483 8.9086 8.9086 8.9098 8.9098 18.9614 18.9614 18.9623 18.9623 22.7937 22.7937 22.7939 22.7939 k = 0.2897 0.5017 0.1531 ( 1380 PWs) bands (ev): -1.9645 -1.9645 -1.9645 -1.9645 0.0887 0.0887 0.0891 0.0891 1.5585 1.5585 1.5598 1.5598 2.6899 2.6899 2.6899 2.6899 4.5667 4.5667 4.5668 4.5668 5.5000 5.5000 5.5005 5.5005 7.4788 7.4788 7.4794 7.4794 8.9758 8.9758 8.9769 8.9769 19.0072 19.0072 19.0081 19.0081 22.7050 22.7050 22.7053 22.7053 k = 0.2857 0.4949 0.1531 ( 1380 PWs) bands (ev): -2.0977 -2.0977 -2.0977 -2.0977 0.1229 0.1229 0.1233 0.1233 1.5237 1.5237 1.5249 1.5249 2.7680 2.7680 2.7681 2.7681 4.6494 4.6494 4.6494 4.6494 5.5767 5.5767 5.5772 5.5772 7.4110 7.4110 7.4116 7.4116 9.0434 9.0434 9.0445 9.0445 19.0567 19.0567 19.0576 19.0576 22.6132 22.6132 22.6134 22.6134 k = 0.2817 0.4880 0.1531 ( 1376 PWs) bands (ev): -2.2316 -2.2316 -2.2316 -2.2316 0.1406 0.1406 0.1411 0.1411 1.5025 1.5025 1.5037 1.5037 2.8527 2.8527 2.8528 2.8528 4.7359 4.7359 4.7359 4.7359 5.6541 5.6541 5.6546 5.6546 7.3449 7.3449 7.3454 7.3454 9.1113 9.1113 9.1124 9.1124 19.1097 19.1097 19.1105 19.1105 22.5189 22.5189 22.5191 22.5191 k = 0.2778 0.4811 0.1531 ( 1374 PWs) bands (ev): -2.3660 -2.3660 -2.3660 -2.3660 0.1394 0.1394 0.1398 0.1398 1.4985 1.4985 1.4997 1.4997 2.9429 2.9429 2.9429 2.9429 4.8257 4.8257 4.8257 4.8257 5.7312 5.7312 5.7318 5.7318 7.2816 7.2816 7.2821 7.2821 9.1795 9.1795 9.1807 9.1807 19.1660 19.1660 19.1668 19.1668 22.4229 22.4229 22.4232 22.4232 k = 0.2738 0.4743 0.1531 ( 1376 PWs) bands (ev): -2.5006 -2.5006 -2.5006 -2.5006 0.1184 0.1184 0.1188 0.1188 1.5135 1.5135 1.5146 1.5146 3.0378 3.0378 3.0379 3.0379 4.9184 4.9184 4.9184 4.9184 5.8069 5.8069 5.8075 5.8075 7.2222 7.2222 7.2226 7.2226 9.2476 9.2476 9.2488 9.2488 19.2254 19.2254 19.2262 19.2262 22.3259 22.3259 22.3261 22.3261 k = 0.2698 0.4674 0.1531 ( 1372 PWs) bands (ev): -2.6351 -2.6351 -2.6350 -2.6350 0.0785 0.0785 0.0788 0.0788 1.5474 1.5474 1.5484 1.5484 3.1370 3.1370 3.1371 3.1371 5.0134 5.0134 5.0135 5.0135 5.8797 5.8797 5.8804 5.8804 7.1684 7.1684 7.1687 7.1687 9.3157 9.3157 9.3169 9.3169 19.2877 19.2877 19.2884 19.2884 22.2282 22.2282 22.2284 22.2284 k = 0.2659 0.4605 0.1531 ( 1372 PWs) bands (ev): -2.7692 -2.7692 -2.7692 -2.7692 0.0220 0.0220 0.0223 0.0223 1.5982 1.5982 1.5992 1.5992 3.2400 3.2400 3.2401 3.2401 5.1103 5.1103 5.1104 5.1104 5.9478 5.9478 5.9485 5.9485 7.1222 7.1222 7.1224 7.1224 9.3836 9.3836 9.3849 9.3849 19.3525 19.3525 19.3533 19.3533 22.1304 22.1304 22.1306 22.1306 k = 0.2619 0.4536 0.1531 ( 1368 PWs) bands (ev): -2.9029 -2.9029 -2.9029 -2.9029 -0.0481 -0.0481 -0.0478 -0.0478 1.6636 1.6636 1.6645 1.6645 3.3465 3.3465 3.3466 3.3466 5.2086 5.2086 5.2088 5.2088 6.0089 6.0089 6.0097 6.0097 7.0863 7.0863 7.0864 7.0864 9.4514 9.4514 9.4527 9.4527 19.4198 19.4198 19.4205 19.4205 22.0327 22.0327 22.0328 22.0328 k = 0.2579 0.4468 0.1531 ( 1368 PWs) bands (ev): -3.0358 -3.0358 -3.0358 -3.0358 -0.1289 -0.1289 -0.1287 -0.1287 1.7409 1.7409 1.7417 1.7417 3.4560 3.4560 3.4562 3.4562 5.3074 5.3074 5.3076 5.3076 6.0605 6.0605 6.0615 6.0615 7.0638 7.0638 7.0638 7.0638 9.5189 9.5189 9.5202 9.5202 19.4892 19.4892 19.4899 19.4899 21.9354 21.9354 21.9356 21.9356 k = 0.2540 0.4399 0.1531 ( 1372 PWs) bands (ev): -3.1680 -3.1680 -3.1679 -3.1679 -0.2179 -0.2179 -0.2178 -0.2178 1.8276 1.8276 1.8283 1.8283 3.5685 3.5685 3.5686 3.5686 5.4056 5.4056 5.4060 5.4060 6.1007 6.1007 6.1019 6.1019 7.0575 7.0575 7.0577 7.0577 9.5860 9.5860 9.5873 9.5873 19.5604 19.5604 19.5610 19.5610 21.8389 21.8389 21.8390 21.8390 k = 0.2500 0.4330 0.1531 ( 1368 PWs) bands (ev): -3.2991 -3.2991 -3.2991 -3.2991 -0.3129 -0.3129 -0.3128 -0.3128 1.9219 1.9219 1.9226 1.9226 3.6837 3.6837 3.6838 3.6838 5.5015 5.5015 5.5020 5.5020 6.1289 6.1289 6.1303 6.1303 7.0699 7.0699 7.0702 7.0702 9.6526 9.6526 9.6540 9.6540 19.6332 19.6332 19.6338 19.6338 21.7433 21.7433 21.7434 21.7434 k = 0.2460 0.4261 0.1531 ( 1368 PWs) bands (ev): -3.4291 -3.4291 -3.4291 -3.4291 -0.4123 -0.4123 -0.4122 -0.4122 2.0222 2.0222 2.0228 2.0228 3.8014 3.8014 3.8015 3.8015 5.5920 5.5920 5.5927 5.5927 6.1477 6.1477 6.1494 6.1494 7.1014 7.1014 7.1018 7.1018 9.7187 9.7187 9.7201 9.7201 19.7070 19.7070 19.7077 19.7077 21.6488 21.6488 21.6488 21.6488 k = 0.2421 0.4193 0.1531 ( 1364 PWs) bands (ev): -3.5580 -3.5580 -3.5580 -3.5580 -0.5148 -0.5148 -0.5148 -0.5148 2.1273 2.1273 2.1279 2.1279 3.9213 3.9213 3.9214 3.9214 5.6719 5.6719 5.6728 5.6728 6.1638 6.1638 6.1657 6.1657 7.1506 7.1506 7.1511 7.1511 9.7843 9.7843 9.7856 9.7856 19.7817 19.7817 19.7823 19.7823 21.5555 21.5555 21.5555 21.5555 k = 0.2381 0.4124 0.1531 ( 1364 PWs) bands (ev): -3.6856 -3.6856 -3.6855 -3.6855 -0.6195 -0.6195 -0.6194 -0.6194 2.2362 2.2362 2.2367 2.2367 4.0435 4.0435 4.0436 4.0436 5.7331 5.7331 5.7341 5.7341 6.1880 6.1880 6.1900 6.1900 7.2149 7.2149 7.2154 7.2154 9.8491 9.8491 9.8504 9.8504 19.8568 19.8568 19.8574 19.8574 21.4636 21.4636 21.4637 21.4637 k = 0.2341 0.4055 0.1531 ( 1364 PWs) bands (ev): -3.8117 -3.8117 -3.8117 -3.8117 -0.7256 -0.7256 -0.7255 -0.7255 2.3480 2.3480 2.3485 2.3485 4.1675 4.1675 4.1676 4.1676 5.7676 5.7676 5.7686 5.7686 6.2316 6.2316 6.2336 6.2336 7.2913 7.2913 7.2919 7.2919 9.9131 9.9131 9.9145 9.9145 19.9318 19.9318 19.9324 19.9324 21.3731 21.3731 21.3733 21.3733 k = 0.2302 0.3986 0.1531 ( 1360 PWs) bands (ev): -3.9365 -3.9365 -3.9365 -3.9365 -0.8324 -0.8324 -0.8324 -0.8324 2.4621 2.4621 2.4626 2.4626 4.2934 4.2934 4.2934 4.2934 5.7738 5.7738 5.7746 5.7746 6.2990 6.2990 6.3008 6.3008 7.3771 7.3771 7.3778 7.3778 9.9763 9.9763 9.9777 9.9777 20.0064 20.0064 20.0070 20.0070 21.2843 21.2843 21.2845 21.2845 k = 0.2262 0.3918 0.1531 ( 1360 PWs) bands (ev): -4.0597 -4.0597 -4.0597 -4.0597 -0.9396 -0.9396 -0.9395 -0.9395 2.5777 2.5777 2.5782 2.5782 4.4207 4.4207 4.4207 4.4207 5.7582 5.7582 5.7589 5.7589 6.3859 6.3859 6.3875 6.3875 7.4702 7.4702 7.4709 7.4709 10.0386 10.0386 10.0401 10.0401 20.0800 20.0800 20.0806 20.0806 21.1972 21.1972 21.1974 21.1974 k = 0.2222 0.3849 0.1531 ( 1360 PWs) bands (ev): -4.1814 -4.1814 -4.1814 -4.1814 -1.0467 -1.0467 -1.0467 -1.0467 2.6943 2.6943 2.6948 2.6948 4.5492 4.5492 4.5492 4.5492 5.7294 5.7294 5.7299 5.7299 6.4860 6.4860 6.4874 6.4874 7.5689 7.5689 7.5696 7.5696 10.1000 10.1000 10.1014 10.1014 20.1522 20.1522 20.1527 20.1527 21.1118 21.1118 21.1121 21.1121 k = 0.2183 0.3780 0.1531 ( 1360 PWs) bands (ev): -4.3014 -4.3014 -4.3014 -4.3014 -1.1535 -1.1535 -1.1535 -1.1535 2.8111 2.8111 2.8116 2.8116 4.6785 4.6785 4.6785 4.6785 5.6941 5.6941 5.6945 5.6945 6.5944 6.5944 6.5956 6.5956 7.6721 7.6721 7.6728 7.6728 10.1603 10.1603 10.1618 10.1618 20.2223 20.2223 20.2228 20.2228 21.0283 21.0283 21.0286 21.0286 k = 0.2143 0.3712 0.1531 ( 1362 PWs) bands (ev): -4.4197 -4.4197 -4.4197 -4.4197 -1.2597 -1.2597 -1.2597 -1.2597 2.9274 2.9274 2.9279 2.9279 4.8077 4.8077 4.8078 4.8078 5.6570 5.6570 5.6573 5.6573 6.7083 6.7083 6.7094 6.7094 7.7787 7.7787 7.7794 7.7794 10.2196 10.2196 10.2211 10.2211 20.2899 20.2899 20.2904 20.2904 20.9466 20.9466 20.9470 20.9470 k = 0.2103 0.3643 0.1531 ( 1362 PWs) bands (ev): -4.5363 -4.5363 -4.5363 -4.5363 -1.3651 -1.3651 -1.3651 -1.3651 3.0424 3.0424 3.0428 3.0428 4.9357 4.9357 4.9359 4.9359 5.6224 5.6224 5.6227 5.6227 6.8259 6.8259 6.8270 6.8270 7.8881 7.8881 7.8888 7.8888 10.2777 10.2777 10.2792 10.2792 20.3542 20.3542 20.3547 20.3547 20.8670 20.8670 20.8674 20.8674 k = 0.2063 0.3574 0.1531 ( 1362 PWs) bands (ev): -4.6511 -4.6511 -4.6511 -4.6511 -1.4696 -1.4696 -1.4696 -1.4696 3.1550 3.1550 3.1555 3.1555 5.0599 5.0599 5.0601 5.0601 5.5951 5.5951 5.5955 5.5955 6.9465 6.9465 6.9474 6.9474 7.9998 7.9998 8.0006 8.0006 10.3348 10.3348 10.3363 10.3363 20.4148 20.4148 20.4153 20.4153 20.7893 20.7893 20.7898 20.7898 k = 0.2024 0.3505 0.1531 ( 1370 PWs) bands (ev): -4.7642 -4.7642 -4.7642 -4.7642 -1.5730 -1.5730 -1.5730 -1.5730 3.2642 3.2642 3.2646 3.2646 5.1742 5.1742 5.1745 5.1745 5.5829 5.5829 5.5833 5.5833 7.0690 7.0690 7.0699 7.0699 8.1131 8.1131 8.1140 8.1140 10.3905 10.3905 10.3921 10.3921 20.4708 20.4708 20.4712 20.4712 20.7139 20.7139 20.7145 20.7145 k = 0.1984 0.3437 0.1531 ( 1366 PWs) bands (ev): -4.8753 -4.8753 -4.8753 -4.8753 -1.6751 -1.6751 -1.6751 -1.6751 3.3684 3.3684 3.3689 3.3689 5.2668 5.2668 5.2673 5.2673 5.5996 5.5996 5.6001 5.6001 7.1933 7.1933 7.1942 7.1942 8.2280 8.2280 8.2288 8.2288 10.4452 10.4452 10.4467 10.4467 20.5210 20.5210 20.5214 20.5214 20.6417 20.6417 20.6422 20.6422 k = 0.1944 0.3368 0.1531 ( 1358 PWs) bands (ev): -4.9846 -4.9846 -4.9846 -4.9846 -1.7759 -1.7759 -1.7759 -1.7759 3.4662 3.4662 3.4666 3.4666 5.3247 5.3247 5.3253 5.3253 5.6604 5.6604 5.6609 5.6609 7.3190 7.3190 7.3198 7.3198 8.3439 8.3439 8.3448 8.3448 10.4986 10.4986 10.5002 10.5002 20.5501 20.5501 20.5507 20.5507 20.5872 20.5872 20.5876 20.5876 k = 0.1905 0.3299 0.1531 ( 1358 PWs) bands (ev): -5.0920 -5.0920 -5.0920 -5.0920 -1.8752 -1.8752 -1.8752 -1.8752 3.5555 3.5555 3.5559 3.5559 5.3544 5.3544 5.3549 5.3549 5.7607 5.7607 5.7612 5.7612 7.4457 7.4457 7.4465 7.4465 8.4607 8.4607 8.4617 8.4617 10.5507 10.5507 10.5522 10.5522 20.4944 20.4944 20.4953 20.4953 20.6134 20.6134 20.6141 20.6141 k = 0.1865 0.3230 0.1531 ( 1354 PWs) bands (ev): -5.1974 -5.1974 -5.1974 -5.1974 -1.9731 -1.9731 -1.9731 -1.9731 3.6345 3.6345 3.6349 3.6349 5.3752 5.3752 5.3757 5.3757 5.8831 5.8831 5.8835 5.8835 7.5734 7.5734 7.5742 7.5742 8.5781 8.5781 8.5791 8.5791 10.6015 10.6015 10.6031 10.6031 20.4283 20.4283 20.4292 20.4292 20.6463 20.6463 20.6470 20.6470 k = 0.1825 0.3162 0.1531 ( 1354 PWs) bands (ev): -5.3008 -5.3008 -5.3008 -5.3008 -2.0694 -2.0694 -2.0694 -2.0694 3.7012 3.7012 3.7016 3.7016 5.4005 5.4005 5.4009 5.4009 6.0163 6.0163 6.0167 6.0167 7.7018 7.7018 7.7025 7.7025 8.6959 8.6959 8.6969 8.6969 10.6511 10.6511 10.6528 10.6528 20.3633 20.3633 20.3643 20.3643 20.6736 20.6736 20.6744 20.6744 k = 0.1786 0.3093 0.1531 ( 1356 PWs) bands (ev): -5.4023 -5.4023 -5.4023 -5.4023 -2.1640 -2.1640 -2.1640 -2.1640 3.7542 3.7542 3.7546 3.7546 5.4368 5.4368 5.4371 5.4371 6.1553 6.1553 6.1556 6.1556 7.8308 7.8308 7.8315 7.8315 8.8138 8.8138 8.8148 8.8148 10.6996 10.6996 10.7012 10.7012 20.3001 20.3001 20.3011 20.3011 20.6944 20.6944 20.6952 20.6952 k = 0.1746 0.3024 0.1531 ( 1356 PWs) bands (ev): -5.5017 -5.5017 -5.5017 -5.5017 -2.2570 -2.2570 -2.2570 -2.2570 3.7926 3.7926 3.7929 3.7929 5.4872 5.4872 5.4874 5.4874 6.2977 6.2977 6.2980 6.2980 7.9603 7.9603 7.9610 7.9610 8.9316 8.9316 8.9327 8.9327 10.7469 10.7469 10.7486 10.7486 20.2392 20.2392 20.2402 20.2402 20.7088 20.7088 20.7098 20.7098 k = 0.1706 0.2955 0.1531 ( 1352 PWs) bands (ev): -5.5991 -5.5991 -5.5991 -5.5991 -2.3483 -2.3483 -2.3483 -2.3483 3.8166 3.8166 3.8168 3.8168 5.5527 5.5527 5.5529 5.5529 6.4424 6.4424 6.4427 6.4427 8.0902 8.0902 8.0909 8.0909 9.0493 9.0493 9.0505 9.0505 10.7932 10.7932 10.7949 10.7949 20.1803 20.1803 20.1814 20.1814 20.7168 20.7168 20.7178 20.7178 k = 0.1667 0.2887 0.1531 ( 1352 PWs) bands (ev): -5.6945 -5.6945 -5.6945 -5.6945 -2.4378 -2.4378 -2.4378 -2.4378 3.8269 3.8269 3.8271 3.8271 5.6330 5.6330 5.6332 5.6332 6.5887 6.5887 6.5890 6.5890 8.2202 8.2202 8.2209 8.2209 9.1664 9.1664 9.1676 9.1676 10.8386 10.8386 10.8403 10.8403 20.1237 20.1237 20.1248 20.1248 20.7185 20.7185 20.7197 20.7197 k = 0.1627 0.2818 0.1531 ( 1352 PWs) bands (ev): -5.7877 -5.7877 -5.7877 -5.7877 -2.5254 -2.5254 -2.5254 -2.5254 3.8251 3.8251 3.8253 3.8253 5.7270 5.7270 5.7272 5.7272 6.7362 6.7362 6.7364 6.7364 8.3502 8.3502 8.3509 8.3509 9.2827 9.2827 9.2840 9.2840 10.8830 10.8830 10.8847 10.8847 20.0692 20.0692 20.0704 20.0704 20.7144 20.7144 20.7156 20.7156 k = 0.1587 0.2749 0.1531 ( 1352 PWs) bands (ev): -5.8789 -5.8789 -5.8789 -5.8789 -2.6113 -2.6113 -2.6113 -2.6113 3.8130 3.8130 3.8132 3.8132 5.8331 5.8331 5.8332 5.8332 6.8844 6.8844 6.8846 6.8846 8.4802 8.4802 8.4809 8.4809 9.3980 9.3980 9.3993 9.3993 10.9268 10.9268 10.9285 10.9285 20.0169 20.0169 20.0182 20.0182 20.7047 20.7047 20.7060 20.7060 k = 0.1548 0.2681 0.1531 ( 1348 PWs) bands (ev): -5.9680 -5.9680 -5.9680 -5.9680 -2.6952 -2.6952 -2.6952 -2.6952 3.7926 3.7926 3.7928 3.7928 5.9496 5.9496 5.9497 5.9497 7.0335 7.0335 7.0336 7.0336 8.6101 8.6101 8.6108 8.6108 9.5121 9.5121 9.5135 9.5135 10.9700 10.9700 10.9717 10.9717 19.9668 19.9668 19.9681 19.9681 20.6900 20.6900 20.6915 20.6915 k = 0.1508 0.2612 0.1531 ( 1344 PWs) bands (ev): -6.0550 -6.0550 -6.0549 -6.0549 -2.7773 -2.7773 -2.7773 -2.7773 3.7655 3.7655 3.7656 3.7656 6.0746 6.0746 6.0747 6.0747 7.1826 7.1826 7.1828 7.1828 8.7396 8.7396 8.7403 8.7403 9.6248 9.6248 9.6262 9.6262 11.0128 11.0128 11.0146 11.0146 19.9190 19.9190 19.9204 19.9204 20.6709 20.6709 20.6725 20.6725 k = 0.1468 0.2543 0.1531 ( 1344 PWs) bands (ev): -6.1398 -6.1398 -6.1398 -6.1398 -2.8575 -2.8575 -2.8575 -2.8575 3.7331 3.7331 3.7332 3.7332 6.2069 6.2069 6.2069 6.2069 7.3319 7.3319 7.3321 7.3321 8.8688 8.8688 8.8694 8.8694 9.7356 9.7356 9.7372 9.7372 11.0556 11.0556 11.0574 11.0574 19.8733 19.8733 19.8748 19.8748 20.6479 20.6479 20.6496 20.6496 k = 0.1429 0.2474 0.1531 ( 1344 PWs) bands (ev): -6.2225 -6.2225 -6.2225 -6.2225 -2.9357 -2.9357 -2.9357 -2.9357 3.6967 3.6967 3.6968 3.6968 6.3450 6.3450 6.3450 6.3450 7.4811 7.4811 7.4812 7.4812 8.9973 8.9973 8.9980 8.9980 9.8444 9.8444 9.8460 9.8460 11.0984 11.0984 11.1003 11.1003 19.8300 19.8300 19.8315 19.8315 20.6215 20.6215 20.6234 20.6234 k = 0.1389 0.2406 0.1531 ( 1342 PWs) bands (ev): -6.3030 -6.3030 -6.3030 -6.3030 -3.0119 -3.0119 -3.0119 -3.0119 3.6575 3.6575 3.6575 3.6575 6.4881 6.4881 6.4881 6.4881 7.6299 7.6299 7.6301 7.6301 9.1250 9.1250 9.1257 9.1257 9.9507 9.9507 9.9524 9.9524 11.1418 11.1418 11.1437 11.1437 19.7889 19.7889 19.7905 19.7905 20.5923 20.5923 20.5943 20.5943 k = 0.1349 0.2337 0.1531 ( 1354 PWs) bands (ev): -6.3814 -6.3814 -6.3814 -6.3814 -3.0862 -3.0862 -3.0862 -3.0862 3.6160 3.6160 3.6160 3.6160 6.6351 6.6351 6.6351 6.6351 7.7782 7.7782 7.7783 7.7783 9.2519 9.2519 9.2526 9.2526 10.0543 10.0543 10.0561 10.0561 11.1857 11.1857 11.1876 11.1876 19.7497 19.7497 19.7514 19.7514 20.5606 20.5606 20.5628 20.5628 k = 0.1310 0.2268 0.1531 ( 1354 PWs) bands (ev): -6.4576 -6.4576 -6.4576 -6.4576 -3.1584 -3.1584 -3.1584 -3.1584 3.5731 3.5731 3.5732 3.5732 6.7854 6.7854 6.7855 6.7855 7.9257 7.9257 7.9258 7.9258 9.3776 9.3776 9.3783 9.3783 10.1549 10.1549 10.1568 10.1568 11.2310 11.2310 11.2329 11.2329 19.7132 19.7132 19.7149 19.7149 20.5272 20.5272 20.5295 20.5295 k = 0.1270 0.2199 0.1531 ( 1354 PWs) bands (ev): -6.5315 -6.5315 -6.5315 -6.5315 -3.2286 -3.2286 -3.2286 -3.2286 3.5293 3.5293 3.5294 3.5294 6.9385 6.9385 6.9385 6.9385 8.0721 8.0721 8.0722 8.0722 9.5019 9.5019 9.5026 9.5026 10.2523 10.2523 10.2542 10.2542 11.2779 11.2779 11.2799 11.2799 19.6788 19.6788 19.6806 19.6806 20.4923 20.4923 20.4947 20.4947 k = 0.1230 0.2131 0.1531 ( 1358 PWs) bands (ev): -6.6033 -6.6033 -6.6033 -6.6033 -3.2967 -3.2967 -3.2967 -3.2967 3.4851 3.4851 3.4851 3.4851 7.0937 7.0937 7.0937 7.0937 8.2172 8.2172 8.2173 8.2173 9.6245 9.6245 9.6252 9.6252 10.3461 10.3461 10.3481 10.3481 11.3268 11.3268 11.3287 11.3287 19.6467 19.6467 19.6485 19.6485 20.4562 20.4562 20.4587 20.4587 k = 0.1190 0.2062 0.1531 ( 1354 PWs) bands (ev): -6.6729 -6.6729 -6.6729 -6.6729 -3.3628 -3.3628 -3.3628 -3.3628 3.4407 3.4407 3.4407 3.4407 7.2506 7.2506 7.2506 7.2506 8.3608 8.3608 8.3609 8.3609 9.7451 9.7451 9.7459 9.7459 10.4365 10.4365 10.4385 10.4385 11.3780 11.3780 11.3799 11.3799 19.6170 19.6170 19.6188 19.6188 20.4194 20.4194 20.4219 20.4219 k = 0.1151 0.1993 0.1531 ( 1350 PWs) bands (ev): -6.7403 -6.7403 -6.7403 -6.7403 -3.4269 -3.4269 -3.4269 -3.4269 3.3965 3.3965 3.3965 3.3965 7.4088 7.4088 7.4089 7.4089 8.5026 8.5026 8.5027 8.5027 9.8630 9.8630 9.8638 9.8638 10.5233 10.5233 10.5254 10.5254 11.4319 11.4319 11.4337 11.4337 19.5894 19.5894 19.5913 19.5913 20.3820 20.3820 20.3846 20.3846 k = 0.1111 0.1925 0.1531 ( 1350 PWs) bands (ev): -6.8054 -6.8054 -6.8054 -6.8054 -3.4888 -3.4888 -3.4888 -3.4888 3.3526 3.3526 3.3527 3.3527 7.5679 7.5679 7.5680 7.5680 8.6422 8.6422 8.6423 8.6423 9.9775 9.9775 9.9783 9.9783 10.6070 10.6070 10.6091 10.6091 11.4885 11.4885 11.4903 11.4903 19.5640 19.5640 19.5660 19.5660 20.3443 20.3443 20.3470 20.3470 k = 0.1071 0.1856 0.1531 ( 1342 PWs) bands (ev): -6.8683 -6.8683 -6.8683 -6.8683 -3.5486 -3.5486 -3.5486 -3.5486 3.3095 3.3095 3.3096 3.3096 7.7276 7.7276 7.7277 7.7277 8.7794 8.7794 8.7795 8.7795 10.0879 10.0879 10.0887 10.0887 10.6884 10.6884 10.6905 10.6905 11.5481 11.5481 11.5498 11.5498 19.5410 19.5410 19.5431 19.5431 20.3066 20.3066 20.3094 20.3094 k = 0.1032 0.1787 0.1531 ( 1342 PWs) bands (ev): -6.9290 -6.9290 -6.9290 -6.9290 -3.6064 -3.6064 -3.6064 -3.6064 3.2671 3.2671 3.2671 3.2671 7.8875 7.8875 7.8876 7.8876 8.9138 8.9138 8.9139 8.9139 10.1929 10.1929 10.1937 10.1937 10.7684 10.7684 10.7705 10.7705 11.6103 11.6103 11.6120 11.6120 19.5201 19.5201 19.5221 19.5221 20.2687 20.2687 20.2716 20.2716 k = 0.0992 0.1718 0.1531 ( 1346 PWs) bands (ev): -6.9874 -6.9874 -6.9874 -6.9874 -3.6620 -3.6620 -3.6620 -3.6620 3.2256 3.2256 3.2256 3.2256 8.0472 8.0472 8.0473 8.0473 9.0452 9.0452 9.0452 9.0452 10.2914 10.2914 10.2922 10.2922 10.8487 10.8487 10.8507 10.8507 11.6749 11.6749 11.6765 11.6765 19.5012 19.5012 19.5033 19.5033 20.2310 20.2310 20.2340 20.2340 k = 0.0952 0.1650 0.1531 ( 1350 PWs) bands (ev): -7.0436 -7.0436 -7.0436 -7.0436 -3.7156 -3.7156 -3.7156 -3.7156 3.1852 3.1852 3.1852 3.1852 8.2065 8.2065 8.2066 8.2066 9.1731 9.1731 9.1731 9.1731 10.3818 10.3818 10.3826 10.3826 10.9307 10.9307 10.9326 10.9326 11.7415 11.7415 11.7430 11.7430 19.4844 19.4844 19.4866 19.4866 20.1935 20.1935 20.1965 20.1965 k = 0.0913 0.1581 0.1531 ( 1350 PWs) bands (ev): -7.0975 -7.0975 -7.0975 -7.0975 -3.7670 -3.7670 -3.7670 -3.7670 3.1459 3.1459 3.1459 3.1459 8.3650 8.3650 8.3651 8.3651 9.2974 9.2974 9.2974 9.2974 10.4631 10.4631 10.4638 10.4638 11.0159 11.0159 11.0177 11.0177 11.8097 11.8097 11.8111 11.8111 19.4697 19.4697 19.4720 19.4720 20.1563 20.1563 20.1594 20.1594 k = 0.0873 0.1512 0.1531 ( 1346 PWs) bands (ev): -7.1491 -7.1491 -7.1491 -7.1491 -3.8162 -3.8162 -3.8162 -3.8162 3.1078 3.1078 3.1078 3.1078 8.5227 8.5227 8.5228 8.5228 9.4177 9.4177 9.4178 9.4178 10.5346 10.5346 10.5352 10.5352 11.1055 11.1055 11.1071 11.1071 11.8788 11.8788 11.8801 11.8801 19.4571 19.4571 19.4594 19.4594 20.1194 20.1194 20.1225 20.1225 k = 0.0833 0.1443 0.1531 ( 1346 PWs) bands (ev): -7.1985 -7.1985 -7.1985 -7.1985 -3.8633 -3.8633 -3.8633 -3.8633 3.0711 3.0711 3.0711 3.0711 8.6786 8.6786 8.6786 8.6786 9.5337 9.5337 9.5338 9.5338 10.5963 10.5963 10.5968 10.5968 11.1997 11.1997 11.2011 11.2011 11.9483 11.9483 11.9494 11.9494 19.4464 19.4464 19.4487 19.4487 20.0829 20.0829 20.0860 20.0860 k = 0.0794 0.1375 0.1531 ( 1350 PWs) bands (ev): -7.2457 -7.2457 -7.2457 -7.2457 -3.9083 -3.9083 -3.9083 -3.9083 3.0357 3.0357 3.0357 3.0357 8.8326 8.8326 8.8326 8.8326 9.6452 9.6452 9.6452 9.6452 10.6488 10.6488 10.6492 10.6492 11.2982 11.2982 11.2995 11.2995 12.0175 12.0175 12.0185 12.0185 19.4376 19.4376 19.4399 19.4399 20.0466 20.0466 20.0498 20.0498 k = 0.0754 0.1306 0.1531 ( 1350 PWs) bands (ev): -7.2905 -7.2905 -7.2905 -7.2905 -3.9511 -3.9511 -3.9511 -3.9511 3.0018 3.0018 3.0018 3.0018 8.9843 8.9843 8.9844 8.9844 9.7519 9.7519 9.7519 9.7519 10.6931 10.6931 10.6935 10.6935 11.4002 11.4002 11.4013 11.4013 12.0858 12.0858 12.0868 12.0868 19.4305 19.4305 19.4328 19.4328 20.0107 20.0107 20.0138 20.0138 k = 0.0714 0.1237 0.1531 ( 1346 PWs) bands (ev): -7.3331 -7.3331 -7.3331 -7.3331 -3.9918 -3.9918 -3.9918 -3.9918 2.9694 2.9694 2.9694 2.9694 9.1334 9.1334 9.1335 9.1335 9.8536 9.8536 9.8536 9.8536 10.7306 10.7306 10.7309 10.7309 11.5048 11.5048 11.5057 11.5057 12.1528 12.1528 12.1537 12.1537 19.4252 19.4252 19.4275 19.4275 19.9750 19.9750 19.9782 19.9782 k = 0.0675 0.1168 0.1531 ( 1346 PWs) bands (ev): -7.3734 -7.3734 -7.3734 -7.3734 -4.0302 -4.0302 -4.0302 -4.0302 2.9385 2.9385 2.9385 2.9385 9.2794 9.2794 9.2794 9.2794 9.9502 9.9502 9.9502 9.9502 10.7623 10.7623 10.7625 10.7625 11.6108 11.6108 11.6117 11.6117 12.2181 12.2181 12.2188 12.2188 19.4214 19.4214 19.4238 19.4238 19.9395 19.9395 19.9426 19.9426 k = 0.0635 0.1100 0.1531 ( 1346 PWs) bands (ev): -7.4114 -7.4114 -7.4114 -7.4114 -4.0665 -4.0665 -4.0665 -4.0665 2.9093 2.9093 2.9093 2.9093 9.4218 9.4218 9.4218 9.4218 10.0414 10.0414 10.0415 10.0415 10.7891 10.7891 10.7893 10.7893 11.7171 11.7171 11.7178 11.7178 12.2810 12.2810 12.2817 12.2817 19.4191 19.4191 19.4215 19.4215 19.9040 19.9040 19.9071 19.9071 k = 0.0595 0.1031 0.1531 ( 1350 PWs) bands (ev): -7.4471 -7.4471 -7.4471 -7.4471 -4.1007 -4.1007 -4.1007 -4.1007 2.8816 2.8816 2.8816 2.8816 9.5601 9.5601 9.5601 9.5601 10.1272 10.1272 10.1273 10.1273 10.8119 10.8119 10.8120 10.8120 11.8228 11.8228 11.8234 11.8234 12.3412 12.3412 12.3419 12.3419 19.4182 19.4182 19.4205 19.4205 19.8686 19.8686 19.8717 19.8717 k = 0.0556 0.0962 0.1531 ( 1350 PWs) bands (ev): -7.4805 -7.4805 -7.4805 -7.4805 -4.1326 -4.1326 -4.1326 -4.1326 2.8556 2.8556 2.8556 2.8556 9.6938 9.6938 9.6938 9.6938 10.2075 10.2075 10.2075 10.2075 10.8314 10.8314 10.8315 10.8315 11.9270 11.9270 11.9276 11.9276 12.3985 12.3985 12.3991 12.3991 19.4185 19.4185 19.4208 19.4208 19.8332 19.8332 19.8362 19.8362 k = 0.0516 0.0894 0.1531 ( 1348 PWs) bands (ev): -7.5117 -7.5117 -7.5117 -7.5117 -4.1624 -4.1624 -4.1624 -4.1624 2.8313 2.8313 2.8313 2.8313 9.8225 9.8225 9.8225 9.8225 10.2822 10.2822 10.2822 10.2822 10.8481 10.8481 10.8482 10.8482 12.0289 12.0289 12.0294 12.0294 12.4525 12.4525 12.4530 12.4530 19.4200 19.4200 19.4222 19.4222 19.7977 19.7977 19.8006 19.8006 k = 0.0476 0.0825 0.1531 ( 1346 PWs) bands (ev): -7.5405 -7.5405 -7.5405 -7.5405 -4.1899 -4.1899 -4.1899 -4.1899 2.8088 2.8088 2.8088 2.8088 9.9453 9.9453 9.9453 9.9453 10.3513 10.3513 10.3513 10.3513 10.8624 10.8624 10.8625 10.8625 12.1276 12.1276 12.1280 12.1280 12.5030 12.5030 12.5034 12.5034 19.4223 19.4223 19.4245 19.4245 19.7621 19.7621 19.7650 19.7650 k = 0.0437 0.0756 0.1531 ( 1346 PWs) bands (ev): -7.5670 -7.5670 -7.5670 -7.5670 -4.2153 -4.2153 -4.2153 -4.2153 2.7879 2.7879 2.7879 2.7879 10.0618 10.0618 10.0618 10.0618 10.4147 10.4147 10.4147 10.4147 10.8747 10.8747 10.8748 10.8748 12.2224 12.2224 12.2227 12.2227 12.5497 12.5497 12.5501 12.5501 19.4255 19.4255 19.4276 19.4276 19.7266 19.7266 19.7293 19.7293 k = 0.0397 0.0687 0.1531 ( 1342 PWs) bands (ev): -7.5913 -7.5913 -7.5913 -7.5913 -4.2385 -4.2385 -4.2385 -4.2385 2.7689 2.7689 2.7689 2.7689 10.1713 10.1713 10.1713 10.1713 10.4724 10.4724 10.4724 10.4724 10.8853 10.8853 10.8854 10.8854 12.3125 12.3125 12.3128 12.3128 12.5926 12.5926 12.5929 12.5929 19.4293 19.4293 19.4314 19.4314 19.6913 19.6913 19.6938 19.6938 k = 0.0357 0.0619 0.1531 ( 1338 PWs) bands (ev): -7.6132 -7.6132 -7.6132 -7.6132 -4.2594 -4.2594 -4.2594 -4.2594 2.7515 2.7515 2.7515 2.7515 10.2732 10.2732 10.2732 10.2732 10.5244 10.5244 10.5245 10.5245 10.8945 10.8945 10.8945 10.8945 12.3972 12.3972 12.3974 12.3974 12.6314 12.6314 12.6317 12.6317 19.4337 19.4337 19.4356 19.4356 19.6564 19.6564 19.6588 19.6588 k = 0.0317 0.0550 0.1531 ( 1330 PWs) bands (ev): -7.6328 -7.6328 -7.6328 -7.6328 -4.2782 -4.2782 -4.2782 -4.2782 2.7361 2.7361 2.7361 2.7361 10.3668 10.3668 10.3668 10.3668 10.5708 10.5708 10.5709 10.5709 10.9024 10.9024 10.9024 10.9024 12.4755 12.4755 12.4757 12.4757 12.6661 12.6661 12.6664 12.6664 19.4382 19.4382 19.4400 19.4400 19.6225 19.6225 19.6246 19.6246 k = 0.0278 0.0481 0.1531 ( 1326 PWs) bands (ev): -7.6501 -7.6501 -7.6501 -7.6501 -4.2947 -4.2947 -4.2947 -4.2947 2.7225 2.7225 2.7225 2.7225 10.4513 10.4513 10.4513 10.4513 10.6116 10.6116 10.6117 10.6117 10.9091 10.9091 10.9091 10.9091 12.5466 12.5466 12.5468 12.5468 12.6967 12.6967 12.6968 12.6968 19.4428 19.4428 19.4444 19.4444 19.5900 19.5900 19.5918 19.5918 k = 0.0238 0.0412 0.1531 ( 1326 PWs) bands (ev): -7.6652 -7.6652 -7.6652 -7.6652 -4.3091 -4.3091 -4.3091 -4.3091 2.7105 2.7105 2.7105 2.7105 10.5262 10.5262 10.5262 10.5262 10.6468 10.6468 10.6468 10.6468 10.9148 10.9148 10.9148 10.9148 12.6100 12.6100 12.6101 12.6101 12.7230 12.7230 12.7231 12.7231 19.4472 19.4472 19.4487 19.4487 19.5596 19.5596 19.5612 19.5612 k = 0.0198 0.0344 0.1531 ( 1330 PWs) bands (ev): -7.6779 -7.6779 -7.6779 -7.6779 -4.3213 -4.3213 -4.3213 -4.3213 2.7004 2.7004 2.7004 2.7004 10.5907 10.5907 10.5907 10.5907 10.6763 10.6763 10.6764 10.6764 10.9195 10.9195 10.9195 10.9195 12.6649 12.6649 12.6650 12.6650 12.7452 12.7452 12.7453 12.7453 19.4512 19.4512 19.4525 19.4525 19.5321 19.5321 19.5335 19.5335 k = 0.0159 0.0275 0.1531 ( 1330 PWs) bands (ev): -7.6883 -7.6883 -7.6883 -7.6883 -4.3312 -4.3312 -4.3312 -4.3312 2.6921 2.6921 2.6921 2.6921 10.6444 10.6444 10.6444 10.6444 10.7005 10.7005 10.7005 10.7005 10.9234 10.9234 10.9234 10.9234 12.7106 12.7106 12.7107 12.7107 12.7633 12.7633 12.7634 12.7634 19.4549 19.4549 19.4559 19.4559 19.5084 19.5084 19.5095 19.5095 k = 0.0119 0.0206 0.1531 ( 1328 PWs) bands (ev): -7.6964 -7.6964 -7.6964 -7.6964 -4.3390 -4.3390 -4.3390 -4.3390 2.6857 2.6857 2.6857 2.6857 10.6867 10.6867 10.6867 10.6867 10.7193 10.7193 10.7193 10.7193 10.9264 10.9264 10.9264 10.9264 12.7466 12.7466 12.7467 12.7467 12.7775 12.7775 12.7776 12.7776 19.4577 19.4577 19.4585 19.4585 19.4892 19.4892 19.4900 19.4900 k = 0.0079 0.0137 0.1531 ( 1328 PWs) bands (ev): -7.7022 -7.7022 -7.7022 -7.7022 -4.3445 -4.3445 -4.3445 -4.3445 2.6811 2.6811 2.6811 2.6811 10.7168 10.7168 10.7168 10.7168 10.7331 10.7331 10.7331 10.7331 10.9286 10.9286 10.9286 10.9286 12.7722 12.7722 12.7722 12.7722 12.7881 12.7881 12.7882 12.7882 19.4595 19.4595 19.4600 19.4600 19.4755 19.4755 19.4760 19.4760 k = 0.0040 0.0069 0.1531 ( 1328 PWs) bands (ev): -7.7056 -7.7056 -7.7056 -7.7056 -4.3478 -4.3478 -4.3478 -4.3478 2.6783 2.6783 2.6783 2.6783 10.7337 10.7337 10.7338 10.7338 10.7425 10.7425 10.7426 10.7426 10.9299 10.9299 10.9299 10.9299 12.7864 12.7864 12.7864 12.7864 12.7958 12.7958 12.7958 12.7958 19.4595 19.4595 19.4596 19.4596 19.4684 19.4684 19.4685 19.4685 k = 0.0000 0.0000 0.1531 ( 1328 PWs) bands (ev): -7.7068 -7.7068 -7.7068 -7.7068 -4.3489 -4.3489 -4.3489 -4.3489 2.6774 2.6774 2.6774 2.6774 10.7385 10.7385 10.7385 10.7385 10.7466 10.7466 10.7466 10.7466 10.9303 10.9303 10.9303 10.9303 12.7903 12.7903 12.7903 12.7903 12.7991 12.7991 12.7991 12.7991 19.4586 19.4586 19.4586 19.4586 19.4668 19.4668 19.4668 19.4668 k = 0.5000 0.2887 0.1531 ( 1372 PWs) bands (ev): -2.4919 -2.4919 -2.4919 -2.4919 -1.0962 -1.0962 -1.0962 -1.0962 1.2471 1.2471 1.2471 1.2471 1.9963 1.9963 1.9963 1.9963 6.6326 6.6326 6.6326 6.6326 7.4039 7.4039 7.4039 7.4039 8.7519 8.7519 8.7519 8.7519 9.8118 9.8118 9.8118 9.8118 18.3268 18.3268 18.3268 18.3268 20.6115 20.6115 20.6115 20.6115 k = 0.5000 0.2887 0.1454 ( 1372 PWs) bands (ev): -2.5178 -2.5178 -2.4656 -2.4656 -1.1293 -1.1293 -1.0605 -1.0605 1.1565 1.1565 1.3340 1.3340 1.9087 1.9087 2.0894 2.0894 6.5563 6.5563 6.6986 6.6986 7.3676 7.3676 7.4420 7.4420 8.6983 8.6983 8.8124 8.8124 9.7483 9.7483 9.8739 9.8739 18.2913 18.2913 18.3641 18.3641 20.5247 20.5247 20.6886 20.6886 k = 0.5000 0.2887 0.1378 ( 1372 PWs) bands (ev): -2.5429 -2.5429 -2.4389 -2.4389 -1.1599 -1.1599 -1.0223 -1.0223 1.0652 1.0652 1.4104 1.4104 1.8334 1.8334 2.1851 2.1851 6.4715 6.4715 6.7525 6.7525 7.3330 7.3330 7.4818 7.4818 8.6535 8.6535 8.8783 8.8783 9.6834 9.6834 9.9342 9.9342 18.2577 18.2577 18.4033 18.4033 20.4304 20.4304 20.7537 20.7537 k = 0.5000 0.2887 0.1301 ( 1368 PWs) bands (ev): -2.5673 -2.5673 -2.4121 -2.4121 -1.1877 -1.1877 -0.9818 -0.9818 0.9743 0.9743 1.4586 1.4586 1.7882 1.7882 2.2821 2.2821 6.3796 6.3796 6.7929 6.7929 7.3002 7.3002 7.5232 7.5232 8.6190 8.6190 8.9478 8.9478 9.6175 9.6175 9.9928 9.9928 18.2260 18.2260 18.4443 18.4443 20.3306 20.3306 20.8023 20.8023 k = 0.5000 0.2887 0.1225 ( 1368 PWs) bands (ev): -2.5907 -2.5907 -2.3853 -2.3853 -1.2128 -1.2128 -0.9391 -0.9391 0.8849 0.8849 1.4524 1.4524 1.7989 1.7989 2.3794 2.3794 6.2821 6.2821 6.8185 6.8185 7.2691 7.2691 7.5663 7.5663 8.5961 8.5961 9.0196 9.0196 9.5505 9.5505 10.0493 10.0493 18.1961 18.1961 18.4871 18.4871 20.2273 20.2273 20.7150 20.7150 k = 0.5000 0.2887 0.1148 ( 1368 PWs) bands (ev): -2.6132 -2.6132 -2.3588 -2.3588 -1.2349 -1.2349 -0.8942 -0.8942 0.7973 0.7973 1.3980 1.3980 1.8595 1.8595 2.4764 2.4764 6.1804 6.1804 6.8290 6.8290 7.2399 7.2399 7.6111 7.6111 8.5853 8.5853 9.0924 9.0924 9.4827 9.4827 10.1036 10.1036 18.1682 18.1682 18.5317 18.5317 20.1225 20.1225 20.6283 20.6283 k = 0.5000 0.2887 0.1072 ( 1364 PWs) bands (ev): -2.6345 -2.6345 -2.3326 -2.3326 -1.2542 -1.2542 -0.8471 -0.8471 0.7121 0.7121 1.3216 1.3216 1.9434 1.9434 2.5727 2.5727 6.0755 6.0755 6.8247 6.8247 7.2125 7.2125 7.6574 7.6574 8.5863 8.5863 9.1650 9.1650 9.4142 9.4142 10.1556 10.1556 18.1421 18.1421 18.5780 18.5780 20.0178 20.0178 20.5424 20.5424 k = 0.5000 0.2887 0.0995 ( 1364 PWs) bands (ev): -2.6547 -2.6547 -2.3074 -2.3074 -1.2704 -1.2704 -0.7981 -0.7981 0.6297 0.6297 1.2370 1.2370 2.0367 2.0367 2.6675 2.6675 5.9683 5.9683 6.8067 6.8067 7.1869 7.1869 7.7053 7.7053 8.5980 8.5980 9.2364 9.2364 9.3452 9.3452 10.2049 10.2049 18.1179 18.1179 18.6260 18.6260 19.9148 19.9148 20.4570 20.4570 k = 0.5000 0.2887 0.0919 ( 1368 PWs) bands (ev): -2.6736 -2.6736 -2.2831 -2.2831 -1.2836 -1.2836 -0.7472 -0.7472 0.5503 0.5503 1.1495 1.1495 2.1337 2.1337 2.7605 2.7605 5.8603 5.8603 6.7769 6.7769 7.1631 7.1631 7.7547 7.7547 8.6186 8.6186 9.2757 9.2757 9.3059 9.3059 10.2515 10.2515 18.0955 18.0955 18.6756 18.6756 19.8145 19.8145 20.3725 20.3725 k = 0.5000 0.2887 0.0842 ( 1368 PWs) bands (ev): -2.6911 -2.6911 -2.2601 -2.2601 -1.2939 -1.2939 -0.6945 -0.6945 0.4743 0.4743 1.0614 1.0614 2.2321 2.2321 2.8509 2.8509 5.7522 5.7522 6.7378 6.7378 7.1413 7.1413 7.8057 7.8057 8.6465 8.6465 9.2060 9.2060 9.3725 9.3725 10.2952 10.2952 18.0751 18.0751 18.7268 18.7268 19.7185 19.7185 20.2890 20.2890 k = 0.5000 0.2887 0.0765 ( 1372 PWs) bands (ev): -2.7073 -2.7073 -2.2387 -2.2387 -1.3012 -1.3012 -0.6403 -0.6403 0.4023 0.4023 0.9736 0.9736 2.3301 2.3301 2.9382 2.9382 5.6452 5.6452 6.6916 6.6916 7.1212 7.1212 7.8581 7.8581 8.6792 8.6792 9.1360 9.1360 9.4357 9.4357 10.3357 10.3357 18.0565 18.0565 18.7795 18.7795 19.6278 19.6278 20.2064 20.2064 k = 0.5000 0.2887 0.0689 ( 1368 PWs) bands (ev): -2.7221 -2.7221 -2.2189 -2.2189 -1.3058 -1.3058 -0.5846 -0.5846 0.3345 0.3345 0.8870 0.8870 2.4266 2.4266 3.0215 3.0215 5.5402 5.5402 6.6410 6.6410 7.1031 7.1031 7.9120 7.9120 8.7149 8.7149 9.0662 9.0662 9.4950 9.4950 10.3729 10.3729 18.0398 18.0398 18.8334 18.8334 19.5434 19.5434 20.1249 20.1249 k = 0.5000 0.2887 0.0612 ( 1362 PWs) bands (ev): -2.7354 -2.7354 -2.2010 -2.2010 -1.3078 -1.3078 -0.5278 -0.5278 0.2716 0.2716 0.8022 0.8022 2.5204 2.5204 3.1001 3.1001 5.4386 5.4386 6.5882 6.5882 7.0869 7.0869 7.9672 7.9672 8.7513 8.7513 8.9967 8.9967 9.5494 9.5494 10.4068 10.4068 18.0250 18.0250 18.8884 18.8884 19.4663 19.4663 20.0447 20.0447 k = 0.5000 0.2887 0.0536 ( 1360 PWs) bands (ev): -2.7473 -2.7473 -2.1851 -2.1851 -1.3077 -1.3077 -0.4703 -0.4703 0.2139 0.2139 0.7196 0.7196 2.6101 2.6101 3.1731 3.1731 5.3416 5.3416 6.5355 6.5355 7.0725 7.0725 8.0238 8.0238 8.7870 8.7870 8.9271 8.9271 9.5986 9.5986 10.4370 10.4370 18.0119 18.0119 18.9439 18.9439 19.3976 19.3976 19.9658 19.9658 k = 0.5000 0.2887 0.0459 ( 1360 PWs) bands (ev): -2.7576 -2.7576 -2.1713 -2.1713 -1.3059 -1.3059 -0.4125 -0.4125 0.1622 0.1622 0.6399 0.6399 2.6943 2.6943 3.2394 3.2394 5.2508 5.2508 6.4850 6.4850 7.0601 7.0601 8.0817 8.0817 8.8204 8.8204 8.8580 8.8580 9.6422 9.6422 10.4635 10.4635 18.0006 18.0006 18.9990 18.9990 19.3388 19.3388 19.8882 19.8882 k = 0.5000 0.2887 0.0383 ( 1360 PWs) bands (ev): -2.7663 -2.7663 -2.1597 -2.1597 -1.3029 -1.3029 -0.3553 -0.3553 0.1169 0.1169 0.5641 0.5641 2.7713 2.7713 3.2980 3.2980 5.1682 5.1682 6.4384 6.4384 7.0495 7.0495 8.1408 8.1408 8.7890 8.7890 8.8506 8.8506 9.6798 9.6798 10.4861 10.4861 17.9911 17.9911 19.0514 19.0514 19.2925 19.2925 19.8123 19.8123 k = 0.5000 0.2887 0.0306 ( 1352 PWs) bands (ev): -2.7735 -2.7735 -2.1503 -2.1503 -1.2993 -1.2993 -0.3000 -0.3000 0.0787 0.0787 0.4935 0.4935 2.8390 2.8390 3.3481 3.3481 5.0959 5.0959 6.3976 6.3976 7.0409 7.0409 8.2012 8.2012 8.7207 8.7207 8.8764 8.8764 9.7111 9.7111 10.5050 10.5050 17.9834 17.9834 19.0950 19.0950 19.2649 19.2649 19.7384 19.7384 k = 0.5000 0.2887 0.0230 ( 1352 PWs) bands (ev): -2.7791 -2.7791 -2.1430 -2.1430 -1.2957 -1.2957 -0.2489 -0.2489 0.0483 0.0483 0.4305 0.4305 2.8951 2.8951 3.3882 3.3882 5.0361 5.0361 6.3641 6.3641 7.0342 7.0342 8.2627 8.2627 8.6531 8.6531 8.8972 8.8972 9.7357 9.7357 10.5196 10.5196 17.9774 17.9774 19.1180 19.1180 19.2675 19.2675 19.6675 19.6675 k = 0.5000 0.2887 0.0153 ( 1352 PWs) bands (ev): -2.7831 -2.7831 -2.1378 -2.1378 -1.2926 -1.2926 -0.2055 -0.2055 0.0260 0.0260 0.3785 0.3785 2.9373 2.9373 3.4176 3.4176 4.9911 4.9911 6.3391 6.3391 7.0295 7.0295 8.3252 8.3252 8.5862 8.5862 8.9124 8.9124 9.7534 9.7534 10.5301 10.5301 17.9732 17.9732 19.1191 19.1191 19.2999 19.2999 19.6010 19.6010 k = 0.5000 0.2887 0.0077 ( 1348 PWs) bands (ev): -2.7855 -2.7855 -2.1348 -2.1348 -1.2905 -1.2905 -0.1752 -0.1752 0.0125 0.0125 0.3432 0.3432 2.9636 2.9636 3.4356 3.4356 4.9631 4.9631 6.3237 6.3237 7.0267 7.0267 8.3884 8.3884 8.5203 8.5203 8.9217 8.9217 9.7641 9.7641 10.5364 10.5364 17.9706 17.9706 19.1137 19.1137 19.3416 19.3416 19.5451 19.5451 k = 0.5000 0.2887-0.0000 ( 1344 PWs) bands (ev): -2.7863 -2.7863 -2.1337 -2.1337 -1.2898 -1.2898 -0.1641 -0.1641 0.0080 0.0080 0.3304 0.3304 2.9726 2.9726 3.4416 3.4416 4.9536 4.9536 6.3185 6.3185 7.0257 7.0257 8.4431 8.4431 8.4647 8.4647 8.9249 8.9249 9.7676 9.7676 10.5385 10.5385 17.9698 17.9698 19.1111 19.1111 19.3638 19.3638 19.5190 19.5190 k = 0.3333 0.5774-0.0000 ( 1365 PWs) bands (ev): -1.1294 -1.1294 -0.6663 -0.6663 -0.6653 -0.6653 -0.0579 -0.0579 1.1040 1.1040 2.0471 2.0471 2.0490 2.0490 3.2245 3.2245 3.2249 3.2249 4.0674 4.0674 6.0120 6.0120 6.0126 6.0126 6.3367 6.3367 7.8091 7.8091 7.8100 7.8100 9.4400 9.4400 19.7766 19.7766 19.7785 19.7785 21.4091 21.4091 21.9549 21.9559 k = 0.3333 0.5774 0.0077 ( 1365 PWs) bands (ev): -1.1285 -1.1285 -0.6662 -0.6662 -0.6652 -0.6652 -0.0621 -0.0621 1.1100 1.1100 2.0449 2.0449 2.0468 2.0468 3.2290 3.2290 3.2294 3.2294 4.0596 4.0596 6.0058 6.0058 6.0064 6.0064 6.3451 6.3451 7.8136 7.8136 7.8145 7.8145 9.4360 9.4360 19.7661 19.7661 19.7681 19.7681 21.4146 21.4146 21.9705 21.9713 k = 0.3333 0.5774 0.0153 ( 1365 PWs) bands (ev): -1.1257 -1.1257 -0.6659 -0.6659 -0.6649 -0.6649 -0.0745 -0.0745 1.1276 1.1276 2.0382 2.0382 2.0401 2.0401 3.2423 3.2423 3.2426 3.2426 4.0367 4.0367 5.9873 5.9873 5.9880 5.9880 6.3699 6.3699 7.8271 7.8271 7.8280 7.8280 9.4240 9.4240 19.7359 19.7359 19.7378 19.7378 21.4308 21.4308 22.0144 22.0154 k = 0.3333 0.5774 0.0230 ( 1365 PWs) bands (ev): -1.1210 -1.1210 -0.6654 -0.6654 -0.6644 -0.6644 -0.0945 -0.0945 1.1562 1.1562 2.0276 2.0276 2.0294 2.0294 3.2640 3.2640 3.2643 3.2643 3.9997 3.9997 5.9574 5.9574 5.9580 5.9580 6.4100 6.4100 7.8487 7.8487 7.8495 7.8495 9.4042 9.4042 19.6884 19.6884 19.6902 19.6902 21.4579 21.4579 22.0855 22.0857 k = 0.3333 0.5774 0.0306 ( 1377 PWs) bands (ev): -1.1145 -1.1145 -0.6647 -0.6647 -0.6638 -0.6638 -0.1210 -0.1210 1.1946 1.1946 2.0134 2.0134 2.0152 2.0152 3.2934 3.2934 3.2937 3.2937 3.9499 3.9499 5.9170 5.9170 5.9176 5.9176 6.4641 6.4641 7.8772 7.8772 7.8781 7.8781 9.3764 9.3764 19.6271 19.6271 19.6288 19.6288 21.4954 21.4954 22.1800 22.1805 k = 0.3333 0.5774 0.0383 ( 1377 PWs) bands (ev): -1.1061 -1.1061 -0.6639 -0.6639 -0.6629 -0.6629 -0.1527 -0.1527 1.2417 1.2417 1.9965 1.9965 1.9983 1.9983 3.3300 3.3300 3.3303 3.3303 3.8891 3.8891 5.8675 5.8675 5.8681 5.8681 6.5304 6.5304 7.9116 7.9116 7.9125 7.9125 9.3412 9.3412 19.5559 19.5559 19.5575 19.5575 21.5435 21.5435 22.2934 22.2944 k = 0.3333 0.5774 0.0459 ( 1377 PWs) bands (ev): -1.0958 -1.0958 -0.6629 -0.6629 -0.6619 -0.6619 -0.1885 -0.1885 1.2964 1.2964 1.9775 1.9775 1.9793 1.9793 3.3729 3.3729 3.3731 3.3731 3.8190 3.8190 5.8102 5.8102 5.8108 5.8108 6.6071 6.6071 7.9503 7.9503 7.9512 7.9512 9.2986 9.2986 19.4783 19.4783 19.4798 19.4798 21.6018 21.6018 22.4229 22.4236 k = 0.3333 0.5774 0.0536 ( 1377 PWs) bands (ev): -1.0837 -1.0837 -0.6618 -0.6618 -0.6608 -0.6608 -0.2274 -0.2274 1.3575 1.3575 1.9572 1.9572 1.9589 1.9589 3.4213 3.4213 3.4215 3.4215 3.7413 3.7413 5.7465 5.7465 5.7471 5.7471 6.6925 6.6925 7.9920 7.9920 7.9929 7.9929 9.2488 9.2488 19.3972 19.3972 19.3986 19.3986 21.6699 21.6699 22.5656 22.5659 k = 0.3333 0.5774 0.0612 ( 1377 PWs) bands (ev): -1.0698 -1.0698 -0.6606 -0.6606 -0.6596 -0.6596 -0.2686 -0.2686 1.4243 1.4243 1.9362 1.9362 1.9379 1.9379 3.4743 3.4743 3.4745 3.4745 3.6573 3.6573 5.6777 5.6777 5.6783 5.6783 6.7852 6.7852 8.0353 8.0353 8.0362 8.0362 9.1923 9.1923 19.3152 19.3152 19.3165 19.3165 21.7477 21.7477 22.7181 22.7185 k = 0.3333 0.5774 0.0689 ( 1389 PWs) bands (ev): -1.0540 -1.0540 -0.6593 -0.6593 -0.6584 -0.6584 -0.3112 -0.3112 1.4958 1.4958 1.9151 1.9151 1.9167 1.9167 3.5313 3.5313 3.5314 3.5314 3.5683 3.5683 5.6049 5.6049 5.6055 5.6055 6.8837 6.8837 8.0790 8.0790 8.0799 8.0799 9.1290 9.1290 19.2342 19.2342 19.2355 19.2355 21.8344 21.8344 22.8785 22.8790 k = 0.3333 0.5774 0.0765 ( 1383 PWs) bands (ev): -1.0364 -1.0364 -0.6580 -0.6580 -0.6570 -0.6570 -0.3547 -0.3547 1.5716 1.5716 1.8944 1.8944 1.8959 1.8959 3.4755 3.4755 3.5914 3.5914 3.5915 3.5915 5.5294 5.5294 5.5300 5.5300 6.9870 6.9870 8.1223 8.1223 8.1232 8.1232 9.0597 9.0597 19.1561 19.1561 19.1573 19.1573 21.9301 21.9301 23.0458 23.0459 k = 0.3333 0.5774 0.0842 ( 1377 PWs) bands (ev): -1.0169 -1.0169 -0.6566 -0.6566 -0.6557 -0.6557 -0.3986 -0.3986 1.6511 1.6511 1.8745 1.8745 1.8760 1.8760 3.3798 3.3798 3.6539 3.6539 3.6540 3.6540 5.4523 5.4523 5.4529 5.4529 7.0940 7.0940 8.1641 8.1641 8.1650 8.1650 8.9848 8.9848 19.0821 19.0821 19.0833 19.0833 22.0346 22.0346 23.2174 23.2177 k = 0.3333 0.5774 0.0919 ( 1386 PWs) bands (ev): -0.9957 -0.9957 -0.6554 -0.6554 -0.6544 -0.6544 -0.4424 -0.4424 1.7337 1.7337 1.8558 1.8558 1.8573 1.8573 3.2818 3.2818 3.7179 3.7179 3.7179 3.7179 5.3745 5.3745 5.3751 5.3751 7.2039 7.2039 8.2034 8.2034 8.2043 8.2043 8.9038 8.9038 19.0133 19.0133 19.0144 19.0144 22.1467 22.1467 23.3924 23.3926 k = 0.3333 0.5774 0.0995 ( 1386 PWs) bands (ev): -0.9728 -0.9728 -0.6541 -0.6541 -0.6532 -0.6532 -0.4859 -0.4859 1.8192 1.8192 1.8386 1.8386 1.8402 1.8402 3.1822 3.1822 3.7823 3.7823 3.7824 3.7824 5.2974 5.2974 5.2980 5.2980 7.3159 7.3159 8.2398 8.2398 8.2407 8.2407 8.8183 8.8183 18.9507 18.9507 18.9518 18.9518 22.2664 22.2664 23.5692 23.5692 k = 0.3333 0.5774 0.1072 ( 1386 PWs) bands (ev): -0.9481 -0.9481 -0.6530 -0.6530 -0.6520 -0.6520 -0.5289 -0.5289 1.8233 1.8233 1.8248 1.8248 1.9073 1.9073 3.0815 3.0815 3.8462 3.8462 3.8462 3.8462 5.2223 5.2223 5.2230 5.2230 7.4294 7.4294 8.2726 8.2726 8.2735 8.2735 8.7281 8.7281 18.8951 18.8951 18.8961 18.8961 22.3930 22.3930 23.7461 23.7461 k = 0.3333 0.5774 0.1148 ( 1386 PWs) bands (ev): -0.9216 -0.9216 -0.6520 -0.6520 -0.6510 -0.6510 -0.5710 -0.5710 1.8100 1.8100 1.8114 1.8114 1.9976 1.9976 2.9803 2.9803 3.9079 3.9079 3.9079 3.9079 5.1509 5.1509 5.1516 5.1516 7.5438 7.5438 8.3012 8.3012 8.3021 8.3021 8.6336 8.6336 18.8470 18.8470 18.8480 18.8480 22.5262 22.5262 23.9210 23.9211 k = 0.3333 0.5774 0.1225 ( 1377 PWs) bands (ev): -0.8934 -0.8934 -0.6511 -0.6511 -0.6501 -0.6501 -0.6121 -0.6121 1.7989 1.7989 1.8004 1.8004 2.0901 2.0901 2.8788 2.8788 3.9654 3.9654 3.9654 3.9654 5.0853 5.0853 5.0860 5.0860 7.6585 7.6585 8.3252 8.3252 8.3261 8.3261 8.5354 8.5354 18.8070 18.8070 18.8079 18.8079 22.6655 22.6655 23.9293 23.9294 k = 0.3333 0.5774 0.1301 ( 1377 PWs) bands (ev): -0.8636 -0.8636 -0.6522 -0.6522 -0.6504 -0.6504 -0.6494 -0.6494 1.7901 1.7901 1.7916 1.7916 2.1843 2.1843 2.7774 2.7774 4.0161 4.0161 4.0162 4.0162 5.0281 5.0281 5.0288 5.0288 7.7731 7.7731 8.3442 8.3442 8.3452 8.3452 8.4336 8.4336 18.7754 18.7754 18.7764 18.7764 22.8102 22.8102 23.7626 23.7626 k = 0.3333 0.5774 0.1378 ( 1377 PWs) bands (ev): -0.8321 -0.8321 -0.6910 -0.6910 -0.6499 -0.6499 -0.6489 -0.6489 1.7837 1.7837 1.7852 1.7852 2.2802 2.2802 2.6763 2.6763 4.0567 4.0567 4.0567 4.0567 4.9830 4.9830 4.9837 4.9837 7.8871 7.8871 8.3288 8.3288 8.3580 8.3580 8.3589 8.3589 18.7527 18.7527 18.7536 18.7536 22.9599 22.9599 23.5969 23.5969 k = 0.3333 0.5774 0.1454 ( 1380 PWs) bands (ev): -0.7991 -0.7991 -0.7285 -0.7285 -0.6496 -0.6496 -0.6486 -0.6486 1.7799 1.7799 1.7813 1.7813 2.3775 2.3775 2.5757 2.5757 4.0832 4.0832 4.0833 4.0833 4.9536 4.9536 4.9543 4.9543 8.0001 8.0001 8.2214 8.2214 8.3664 8.3664 8.3673 8.3673 18.7390 18.7390 18.7399 18.7399 23.1140 23.1140 23.4331 23.4331 k = 0.3333 0.5774 0.1531 ( 1380 PWs) bands (ev): -0.7649 -0.7649 -0.7642 -0.7642 -0.6495 -0.6495 -0.6485 -0.6485 1.7786 1.7786 1.7800 1.7800 2.4761 2.4761 2.4761 2.4761 4.0925 4.0925 4.0925 4.0925 4.9434 4.9434 4.9441 4.9441 8.1112 8.1112 8.1121 8.1121 8.3692 8.3692 8.3701 8.3701 18.7344 18.7344 18.7353 18.7353 23.2719 23.2719 23.2720 23.2720 Writing output data file C.save init_run : 0.09s CPU 0.20s WALL ( 1 calls) electrons : 85.89s CPU 89.05s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 85.88s CPU 89.04s 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 : 0.00s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.03s WALL ( 465 calls) cegterg : 78.58s CPU 80.29s WALL ( 648 calls) Called by sum_band: Called by *egterg: h_psi : 32.37s CPU 33.70s WALL ( 10859 calls) s_psi : 1.71s CPU 1.76s WALL ( 10859 calls) g_psi : 0.06s CPU 0.07s WALL ( 9746 calls) cdiaghg : 43.20s CPU 43.68s WALL ( 10211 calls) cegterg:over : 2.67s CPU 2.62s WALL ( 9746 calls) cegterg:upda : 1.74s CPU 1.72s WALL ( 9746 calls) cegterg:last : 1.03s CPU 1.08s WALL ( 1578 calls) cdiaghg:chol : 2.28s CPU 2.17s WALL ( 10211 calls) cdiaghg:inve : 1.10s CPU 1.13s WALL ( 10211 calls) cdiaghg:para : 2.57s CPU 2.57s WALL ( 20422 calls) Called by h_psi: h_psi:vloc : 27.70s CPU 28.74s WALL ( 10859 calls) h_psi:vnl : 4.59s CPU 4.91s WALL ( 10859 calls) add_vuspsi : 1.78s CPU 1.91s WALL ( 10859 calls) General routines calbec : 2.77s CPU 2.96s WALL ( 10859 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 26.02s CPU 26.98s WALL ( 813140 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.12s WALL ( 930 calls) Parallel routines fft_scatter : 14.13s CPU 14.70s WALL ( 813163 calls) PWSCF : 1m36.31s CPU 2m 3.69s WALL This run was terminated on: 17:14:47 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=