Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:12:50 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: ./Sc.save/ file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 29 15 4 1269 447 74 Max 30 16 5 1278 480 81 Sum 1069 559 163 45891 16623 2791 bravais-lattice index = 14 lattice parameter (alat) = 6.2531 a.u. unit-cell volume = 337.4451 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 1 number of electrons = 22.00 number of Kohn-Sham states= 30 kinetic-energy cutoff = 51.0000 Ry charge density cutoff = 402.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.253103 celldm(2)= 1.000000 celldm(3)= 1.593623 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.593623 ) 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 0.627501 ) PseudoPot. # 1 for Sc read from file: /users/gautes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1173 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Sc 11.00 44.95590 Sc( 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 ) ( 0.7968117 ) 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 ) ( 0.7968117 ) 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 ) ( 0.7968117 ) 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 ) ( 0.7968117 ) 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 ) ( 0.7968117 ) 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 ) ( 0.7968117 ) 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 ) ( 0.7968117 ) 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 ) ( 0.7968117 ) 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 ) ( 0.7968117 ) 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 ) ( 0.7968117 ) 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 ) ( 0.7968117 ) 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 ) ( 0.7968117 ) 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= 401 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024938 k( 2) = ( 0.0090909 0.0052486 -0.0000000), wk = 0.0024938 k( 3) = ( 0.0181818 0.0104973 -0.0000000), wk = 0.0024938 k( 4) = ( 0.0272727 0.0157459 -0.0000000), wk = 0.0024938 k( 5) = ( 0.0363636 0.0209946 -0.0000000), wk = 0.0024938 k( 6) = ( 0.0454546 0.0262432 -0.0000000), wk = 0.0024938 k( 7) = ( 0.0545455 0.0314918 -0.0000000), wk = 0.0024938 k( 8) = ( 0.0636364 0.0367405 -0.0000000), wk = 0.0024938 k( 9) = ( 0.0727273 0.0419891 -0.0000000), wk = 0.0024938 k( 10) = ( 0.0818182 0.0472377 -0.0000000), wk = 0.0024938 k( 11) = ( 0.0909091 0.0524864 -0.0000000), wk = 0.0024938 k( 12) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0024938 k( 13) = ( 0.1090909 0.0629837 -0.0000000), wk = 0.0024938 k( 14) = ( 0.1181818 0.0682323 -0.0000000), wk = 0.0024938 k( 15) = ( 0.1272727 0.0734809 -0.0000000), wk = 0.0024938 k( 16) = ( 0.1363636 0.0787296 -0.0000000), wk = 0.0024938 k( 17) = ( 0.1454545 0.0839782 -0.0000000), wk = 0.0024938 k( 18) = ( 0.1545455 0.0892269 -0.0000000), wk = 0.0024938 k( 19) = ( 0.1636364 0.0944755 -0.0000000), wk = 0.0024938 k( 20) = ( 0.1727273 0.0997241 -0.0000000), wk = 0.0024938 k( 21) = ( 0.1818182 0.1049728 -0.0000000), wk = 0.0024938 k( 22) = ( 0.1909091 0.1102214 -0.0000000), wk = 0.0024938 k( 23) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0024938 k( 24) = ( 0.2090909 0.1207187 -0.0000000), wk = 0.0024938 k( 25) = ( 0.2181818 0.1259673 -0.0000000), wk = 0.0024938 k( 26) = ( 0.2272727 0.1312160 -0.0000000), wk = 0.0024938 k( 27) = ( 0.2363636 0.1364646 -0.0000000), wk = 0.0024938 k( 28) = ( 0.2454545 0.1417133 -0.0000000), wk = 0.0024938 k( 29) = ( 0.2545455 0.1469619 -0.0000000), wk = 0.0024938 k( 30) = ( 0.2636364 0.1522105 -0.0000000), wk = 0.0024938 k( 31) = ( 0.2727273 0.1574592 -0.0000000), wk = 0.0024938 k( 32) = ( 0.2818182 0.1627078 -0.0000000), wk = 0.0024938 k( 33) = ( 0.2909091 0.1679564 -0.0000000), wk = 0.0024938 k( 34) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0024938 k( 35) = ( 0.3090909 0.1784537 -0.0000000), wk = 0.0024938 k( 36) = ( 0.3181818 0.1837024 -0.0000000), wk = 0.0024938 k( 37) = ( 0.3272727 0.1889510 -0.0000000), wk = 0.0024938 k( 38) = ( 0.3363636 0.1941996 -0.0000000), wk = 0.0024938 k( 39) = ( 0.3454546 0.1994483 -0.0000000), wk = 0.0024938 k( 40) = ( 0.3545454 0.2046969 -0.0000000), wk = 0.0024938 k( 41) = ( 0.3636364 0.2099456 -0.0000000), wk = 0.0024938 k( 42) = ( 0.3727273 0.2151942 -0.0000000), wk = 0.0024938 k( 43) = ( 0.3818182 0.2204428 -0.0000000), wk = 0.0024938 k( 44) = ( 0.3909091 0.2256915 -0.0000000), wk = 0.0024938 k( 45) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0024938 k( 46) = ( 0.4090909 0.2361887 -0.0000000), wk = 0.0024938 k( 47) = ( 0.4181818 0.2414374 -0.0000000), wk = 0.0024938 k( 48) = ( 0.4272727 0.2466860 -0.0000000), wk = 0.0024938 k( 49) = ( 0.4363636 0.2519347 -0.0000000), wk = 0.0024938 k( 50) = ( 0.4454546 0.2571833 -0.0000000), wk = 0.0024938 k( 51) = ( 0.4545455 0.2624319 -0.0000000), wk = 0.0024938 k( 52) = ( 0.4636364 0.2676806 -0.0000000), wk = 0.0024938 k( 53) = ( 0.4727273 0.2729292 -0.0000000), wk = 0.0024938 k( 54) = ( 0.4818182 0.2781779 -0.0000000), wk = 0.0024938 k( 55) = ( 0.4909091 0.2834265 -0.0000000), wk = 0.0024938 k( 56) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0024938 k( 57) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0024938 k( 58) = ( 0.4947917 0.2976962 -0.0000000), wk = 0.0024938 k( 59) = ( 0.4895833 0.3067173 -0.0000000), wk = 0.0024938 k( 60) = ( 0.4843750 0.3157384 -0.0000000), wk = 0.0024938 k( 61) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0024938 k( 62) = ( 0.4739583 0.3337806 -0.0000000), wk = 0.0024938 k( 63) = ( 0.4687500 0.3428017 -0.0000000), wk = 0.0024938 k( 64) = ( 0.4635417 0.3518228 -0.0000000), wk = 0.0024938 k( 65) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0024938 k( 66) = ( 0.4531250 0.3698650 -0.0000000), wk = 0.0024938 k( 67) = ( 0.4479167 0.3788861 -0.0000000), wk = 0.0024938 k( 68) = ( 0.4427083 0.3879072 -0.0000000), wk = 0.0024938 k( 69) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0024938 k( 70) = ( 0.4322917 0.4059494 -0.0000000), wk = 0.0024938 k( 71) = ( 0.4270833 0.4149705 -0.0000000), wk = 0.0024938 k( 72) = ( 0.4218750 0.4239916 -0.0000000), wk = 0.0024938 k( 73) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0024938 k( 74) = ( 0.4114583 0.4420338 -0.0000000), wk = 0.0024938 k( 75) = ( 0.4062500 0.4510549 -0.0000000), wk = 0.0024938 k( 76) = ( 0.4010417 0.4600760 -0.0000000), wk = 0.0024938 k( 77) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0024938 k( 78) = ( 0.3906250 0.4781182 -0.0000000), wk = 0.0024938 k( 79) = ( 0.3854167 0.4871393 -0.0000000), wk = 0.0024938 k( 80) = ( 0.3802083 0.4961604 -0.0000000), wk = 0.0024938 k( 81) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0024938 k( 82) = ( 0.3697917 0.5142026 -0.0000000), wk = 0.0024938 k( 83) = ( 0.3645833 0.5232237 -0.0000000), wk = 0.0024938 k( 84) = ( 0.3593750 0.5322448 -0.0000000), wk = 0.0024938 k( 85) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0024938 k( 86) = ( 0.3489583 0.5502870 -0.0000000), wk = 0.0024938 k( 87) = ( 0.3437500 0.5593081 -0.0000000), wk = 0.0024938 k( 88) = ( 0.3385417 0.5683292 -0.0000000), wk = 0.0024938 k( 89) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0024938 k( 90) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0024938 k( 91) = ( 0.3281250 0.5683292 -0.0000000), wk = 0.0024938 k( 92) = ( 0.3229167 0.5593081 -0.0000000), wk = 0.0024938 k( 93) = ( 0.3177083 0.5502870 -0.0000000), wk = 0.0024938 k( 94) = ( 0.3125000 0.5412659 -0.0000000), wk = 0.0024938 k( 95) = ( 0.3072917 0.5322448 -0.0000000), wk = 0.0024938 k( 96) = ( 0.3020833 0.5232237 -0.0000000), wk = 0.0024938 k( 97) = ( 0.2968750 0.5142026 -0.0000000), wk = 0.0024938 k( 98) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0024938 k( 99) = ( 0.2864583 0.4961604 -0.0000000), wk = 0.0024938 k( 100) = ( 0.2812500 0.4871393 -0.0000000), wk = 0.0024938 k( 101) = ( 0.2760417 0.4781182 -0.0000000), wk = 0.0024938 k( 102) = ( 0.2708333 0.4690971 -0.0000000), wk = 0.0024938 k( 103) = ( 0.2656250 0.4600760 -0.0000000), wk = 0.0024938 k( 104) = ( 0.2604167 0.4510549 -0.0000000), wk = 0.0024938 k( 105) = ( 0.2552083 0.4420338 -0.0000000), wk = 0.0024938 k( 106) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0024938 k( 107) = ( 0.2447917 0.4239916 -0.0000000), wk = 0.0024938 k( 108) = ( 0.2395833 0.4149705 -0.0000000), wk = 0.0024938 k( 109) = ( 0.2343750 0.4059494 -0.0000000), wk = 0.0024938 k( 110) = ( 0.2291667 0.3969283 -0.0000000), wk = 0.0024938 k( 111) = ( 0.2239583 0.3879072 -0.0000000), wk = 0.0024938 k( 112) = ( 0.2187500 0.3788861 -0.0000000), wk = 0.0024938 k( 113) = ( 0.2135417 0.3698650 -0.0000000), wk = 0.0024938 k( 114) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0024938 k( 115) = ( 0.2031250 0.3518228 -0.0000000), wk = 0.0024938 k( 116) = ( 0.1979167 0.3428017 -0.0000000), wk = 0.0024938 k( 117) = ( 0.1927083 0.3337806 -0.0000000), wk = 0.0024938 k( 118) = ( 0.1875000 0.3247595 -0.0000000), wk = 0.0024938 k( 119) = ( 0.1822917 0.3157384 -0.0000000), wk = 0.0024938 k( 120) = ( 0.1770833 0.3067173 -0.0000000), wk = 0.0024938 k( 121) = ( 0.1718750 0.2976962 -0.0000000), wk = 0.0024938 k( 122) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0024938 k( 123) = ( 0.1614583 0.2796540 -0.0000000), wk = 0.0024938 k( 124) = ( 0.1562500 0.2706329 -0.0000000), wk = 0.0024938 k( 125) = ( 0.1510417 0.2616118 -0.0000000), wk = 0.0024938 k( 126) = ( 0.1458333 0.2525907 -0.0000000), wk = 0.0024938 k( 127) = ( 0.1406250 0.2435696 -0.0000000), wk = 0.0024938 k( 128) = ( 0.1354167 0.2345486 -0.0000000), wk = 0.0024938 k( 129) = ( 0.1302083 0.2255274 -0.0000000), wk = 0.0024938 k( 130) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0024938 k( 131) = ( 0.1197917 0.2074853 -0.0000000), wk = 0.0024938 k( 132) = ( 0.1145833 0.1984641 -0.0000000), wk = 0.0024938 k( 133) = ( 0.1093750 0.1894431 -0.0000000), wk = 0.0024938 k( 134) = ( 0.1041667 0.1804220 -0.0000000), wk = 0.0024938 k( 135) = ( 0.0989583 0.1714009 -0.0000000), wk = 0.0024938 k( 136) = ( 0.0937500 0.1623798 -0.0000000), wk = 0.0024938 k( 137) = ( 0.0885417 0.1533587 -0.0000000), wk = 0.0024938 k( 138) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0024938 k( 139) = ( 0.0781250 0.1353165 -0.0000000), wk = 0.0024938 k( 140) = ( 0.0729167 0.1262954 -0.0000000), wk = 0.0024938 k( 141) = ( 0.0677083 0.1172743 -0.0000000), wk = 0.0024938 k( 142) = ( 0.0625000 0.1082532 -0.0000000), wk = 0.0024938 k( 143) = ( 0.0572917 0.0992321 -0.0000000), wk = 0.0024938 k( 144) = ( 0.0520833 0.0902110 -0.0000000), wk = 0.0024938 k( 145) = ( 0.0468750 0.0811899 -0.0000000), wk = 0.0024938 k( 146) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0024938 k( 147) = ( 0.0364583 0.0631477 -0.0000000), wk = 0.0024938 k( 148) = ( 0.0312500 0.0541266 -0.0000000), wk = 0.0024938 k( 149) = ( 0.0260417 0.0451055 -0.0000000), wk = 0.0024938 k( 150) = ( 0.0208333 0.0360844 -0.0000000), wk = 0.0024938 k( 151) = ( 0.0156250 0.0270633 -0.0000000), wk = 0.0024938 k( 152) = ( 0.0104167 0.0180422 -0.0000000), wk = 0.0024938 k( 153) = ( 0.0052083 0.0090211 -0.0000000), wk = 0.0024938 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024938 k( 155) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024938 k( 156) = ( 0.0000000 0.0000000 0.0104583), wk = 0.0024938 k( 157) = ( 0.0000000 0.0000000 0.0209167), wk = 0.0024938 k( 158) = ( 0.0000000 0.0000000 0.0313750), wk = 0.0024938 k( 159) = ( 0.0000000 0.0000000 0.0418334), wk = 0.0024938 k( 160) = ( 0.0000000 0.0000000 0.0522917), wk = 0.0024938 k( 161) = ( 0.0000000 0.0000000 0.0627501), wk = 0.0024938 k( 162) = ( 0.0000000 0.0000000 0.0732084), wk = 0.0024938 k( 163) = ( 0.0000000 0.0000000 0.0836668), wk = 0.0024938 k( 164) = ( 0.0000000 0.0000000 0.0941251), wk = 0.0024938 k( 165) = ( 0.0000000 0.0000000 0.1045835), wk = 0.0024938 k( 166) = ( 0.0000000 0.0000000 0.1150418), wk = 0.0024938 k( 167) = ( 0.0000000 0.0000000 0.1255002), wk = 0.0024938 k( 168) = ( 0.0000000 0.0000000 0.1359585), wk = 0.0024938 k( 169) = ( 0.0000000 0.0000000 0.1464169), wk = 0.0024938 k( 170) = ( 0.0000000 0.0000000 0.1568752), wk = 0.0024938 k( 171) = ( 0.0000000 0.0000000 0.1673336), wk = 0.0024938 k( 172) = ( 0.0000000 0.0000000 0.1777919), wk = 0.0024938 k( 173) = ( 0.0000000 0.0000000 0.1882502), wk = 0.0024938 k( 174) = ( 0.0000000 0.0000000 0.1987086), wk = 0.0024938 k( 175) = ( 0.0000000 0.0000000 0.2091669), wk = 0.0024938 k( 176) = ( 0.0000000 0.0000000 0.2196253), wk = 0.0024938 k( 177) = ( 0.0000000 0.0000000 0.2300836), wk = 0.0024938 k( 178) = ( 0.0000000 0.0000000 0.2405420), wk = 0.0024938 k( 179) = ( 0.0000000 0.0000000 0.2510003), wk = 0.0024938 k( 180) = ( 0.0000000 0.0000000 0.2614587), wk = 0.0024938 k( 181) = ( 0.0000000 0.0000000 0.2719170), wk = 0.0024938 k( 182) = ( 0.0000000 0.0000000 0.2823754), wk = 0.0024938 k( 183) = ( 0.0000000 0.0000000 0.2928337), wk = 0.0024938 k( 184) = ( 0.0000000 0.0000000 0.3032921), wk = 0.0024938 k( 185) = ( 0.0000000 0.0000000 0.3137504), wk = 0.0024938 k( 186) = ( 0.0000000 0.0000000 0.3137504), wk = 0.0024938 k( 187) = ( 0.0090909 0.0052486 0.3137504), wk = 0.0024938 k( 188) = ( 0.0181818 0.0104973 0.3137504), wk = 0.0024938 k( 189) = ( 0.0272727 0.0157459 0.3137504), wk = 0.0024938 k( 190) = ( 0.0363636 0.0209946 0.3137504), wk = 0.0024938 k( 191) = ( 0.0454546 0.0262432 0.3137504), wk = 0.0024938 k( 192) = ( 0.0545455 0.0314918 0.3137504), wk = 0.0024938 k( 193) = ( 0.0636364 0.0367405 0.3137504), wk = 0.0024938 k( 194) = ( 0.0727273 0.0419891 0.3137504), wk = 0.0024938 k( 195) = ( 0.0818182 0.0472377 0.3137504), wk = 0.0024938 k( 196) = ( 0.0909091 0.0524864 0.3137504), wk = 0.0024938 k( 197) = ( 0.1000000 0.0577350 0.3137504), wk = 0.0024938 k( 198) = ( 0.1090909 0.0629837 0.3137504), wk = 0.0024938 k( 199) = ( 0.1181818 0.0682323 0.3137504), wk = 0.0024938 k( 200) = ( 0.1272727 0.0734809 0.3137504), wk = 0.0024938 k( 201) = ( 0.1363636 0.0787296 0.3137504), wk = 0.0024938 k( 202) = ( 0.1454545 0.0839782 0.3137504), wk = 0.0024938 k( 203) = ( 0.1545455 0.0892269 0.3137504), wk = 0.0024938 k( 204) = ( 0.1636364 0.0944755 0.3137504), wk = 0.0024938 k( 205) = ( 0.1727273 0.0997241 0.3137504), wk = 0.0024938 k( 206) = ( 0.1818182 0.1049728 0.3137504), wk = 0.0024938 k( 207) = ( 0.1909091 0.1102214 0.3137504), wk = 0.0024938 k( 208) = ( 0.2000000 0.1154701 0.3137504), wk = 0.0024938 k( 209) = ( 0.2090909 0.1207187 0.3137504), wk = 0.0024938 k( 210) = ( 0.2181818 0.1259673 0.3137504), wk = 0.0024938 k( 211) = ( 0.2272727 0.1312160 0.3137504), wk = 0.0024938 k( 212) = ( 0.2363636 0.1364646 0.3137504), wk = 0.0024938 k( 213) = ( 0.2454545 0.1417133 0.3137504), wk = 0.0024938 k( 214) = ( 0.2545455 0.1469619 0.3137504), wk = 0.0024938 k( 215) = ( 0.2636364 0.1522105 0.3137504), wk = 0.0024938 k( 216) = ( 0.2727273 0.1574592 0.3137504), wk = 0.0024938 k( 217) = ( 0.2818182 0.1627078 0.3137504), wk = 0.0024938 k( 218) = ( 0.2909091 0.1679564 0.3137504), wk = 0.0024938 k( 219) = ( 0.3000000 0.1732051 0.3137504), wk = 0.0024938 k( 220) = ( 0.3090909 0.1784537 0.3137504), wk = 0.0024938 k( 221) = ( 0.3181818 0.1837024 0.3137504), wk = 0.0024938 k( 222) = ( 0.3272727 0.1889510 0.3137504), wk = 0.0024938 k( 223) = ( 0.3363636 0.1941996 0.3137504), wk = 0.0024938 k( 224) = ( 0.3454546 0.1994483 0.3137504), wk = 0.0024938 k( 225) = ( 0.3545454 0.2046969 0.3137504), wk = 0.0024938 k( 226) = ( 0.3636364 0.2099456 0.3137504), wk = 0.0024938 k( 227) = ( 0.3727273 0.2151942 0.3137504), wk = 0.0024938 k( 228) = ( 0.3818182 0.2204428 0.3137504), wk = 0.0024938 k( 229) = ( 0.3909091 0.2256915 0.3137504), wk = 0.0024938 k( 230) = ( 0.4000000 0.2309401 0.3137504), wk = 0.0024938 k( 231) = ( 0.4090909 0.2361887 0.3137504), wk = 0.0024938 k( 232) = ( 0.4181818 0.2414374 0.3137504), wk = 0.0024938 k( 233) = ( 0.4272727 0.2466860 0.3137504), wk = 0.0024938 k( 234) = ( 0.4363636 0.2519347 0.3137504), wk = 0.0024938 k( 235) = ( 0.4454546 0.2571833 0.3137504), wk = 0.0024938 k( 236) = ( 0.4545455 0.2624319 0.3137504), wk = 0.0024938 k( 237) = ( 0.4636364 0.2676806 0.3137504), wk = 0.0024938 k( 238) = ( 0.4727273 0.2729292 0.3137504), wk = 0.0024938 k( 239) = ( 0.4818182 0.2781779 0.3137504), wk = 0.0024938 k( 240) = ( 0.4909091 0.2834265 0.3137504), wk = 0.0024938 k( 241) = ( 0.5000000 0.2886751 0.3137504), wk = 0.0024938 k( 242) = ( 0.5000000 0.2886751 0.3137504), wk = 0.0024938 k( 243) = ( 0.4947917 0.2976962 0.3137504), wk = 0.0024938 k( 244) = ( 0.4895833 0.3067173 0.3137504), wk = 0.0024938 k( 245) = ( 0.4843750 0.3157384 0.3137504), wk = 0.0024938 k( 246) = ( 0.4791667 0.3247595 0.3137504), wk = 0.0024938 k( 247) = ( 0.4739583 0.3337806 0.3137504), wk = 0.0024938 k( 248) = ( 0.4687500 0.3428017 0.3137504), wk = 0.0024938 k( 249) = ( 0.4635417 0.3518228 0.3137504), wk = 0.0024938 k( 250) = ( 0.4583333 0.3608439 0.3137504), wk = 0.0024938 k( 251) = ( 0.4531250 0.3698650 0.3137504), wk = 0.0024938 k( 252) = ( 0.4479167 0.3788861 0.3137504), wk = 0.0024938 k( 253) = ( 0.4427083 0.3879072 0.3137504), wk = 0.0024938 k( 254) = ( 0.4375000 0.3969283 0.3137504), wk = 0.0024938 k( 255) = ( 0.4322917 0.4059494 0.3137504), wk = 0.0024938 k( 256) = ( 0.4270833 0.4149705 0.3137504), wk = 0.0024938 k( 257) = ( 0.4218750 0.4239916 0.3137504), wk = 0.0024938 k( 258) = ( 0.4166667 0.4330127 0.3137504), wk = 0.0024938 k( 259) = ( 0.4114583 0.4420338 0.3137504), wk = 0.0024938 k( 260) = ( 0.4062500 0.4510549 0.3137504), wk = 0.0024938 k( 261) = ( 0.4010417 0.4600760 0.3137504), wk = 0.0024938 k( 262) = ( 0.3958333 0.4690971 0.3137504), wk = 0.0024938 k( 263) = ( 0.3906250 0.4781182 0.3137504), wk = 0.0024938 k( 264) = ( 0.3854167 0.4871393 0.3137504), wk = 0.0024938 k( 265) = ( 0.3802083 0.4961604 0.3137504), wk = 0.0024938 k( 266) = ( 0.3750000 0.5051815 0.3137504), wk = 0.0024938 k( 267) = ( 0.3697917 0.5142026 0.3137504), wk = 0.0024938 k( 268) = ( 0.3645833 0.5232237 0.3137504), wk = 0.0024938 k( 269) = ( 0.3593750 0.5322448 0.3137504), wk = 0.0024938 k( 270) = ( 0.3541667 0.5412659 0.3137504), wk = 0.0024938 k( 271) = ( 0.3489583 0.5502870 0.3137504), wk = 0.0024938 k( 272) = ( 0.3437500 0.5593081 0.3137504), wk = 0.0024938 k( 273) = ( 0.3385417 0.5683292 0.3137504), wk = 0.0024938 k( 274) = ( 0.3333333 0.5773503 0.3137504), wk = 0.0024938 k( 275) = ( 0.3333333 0.5773503 0.3137504), wk = 0.0024938 k( 276) = ( 0.3281250 0.5683292 0.3137504), wk = 0.0024938 k( 277) = ( 0.3229167 0.5593081 0.3137504), wk = 0.0024938 k( 278) = ( 0.3177083 0.5502870 0.3137504), wk = 0.0024938 k( 279) = ( 0.3125000 0.5412659 0.3137504), wk = 0.0024938 k( 280) = ( 0.3072917 0.5322448 0.3137504), wk = 0.0024938 k( 281) = ( 0.3020833 0.5232237 0.3137504), wk = 0.0024938 k( 282) = ( 0.2968750 0.5142026 0.3137504), wk = 0.0024938 k( 283) = ( 0.2916667 0.5051815 0.3137504), wk = 0.0024938 k( 284) = ( 0.2864583 0.4961604 0.3137504), wk = 0.0024938 k( 285) = ( 0.2812500 0.4871393 0.3137504), wk = 0.0024938 k( 286) = ( 0.2760417 0.4781182 0.3137504), wk = 0.0024938 k( 287) = ( 0.2708333 0.4690971 0.3137504), wk = 0.0024938 k( 288) = ( 0.2656250 0.4600760 0.3137504), wk = 0.0024938 k( 289) = ( 0.2604167 0.4510549 0.3137504), wk = 0.0024938 k( 290) = ( 0.2552083 0.4420338 0.3137504), wk = 0.0024938 k( 291) = ( 0.2500000 0.4330127 0.3137504), wk = 0.0024938 k( 292) = ( 0.2447917 0.4239916 0.3137504), wk = 0.0024938 k( 293) = ( 0.2395833 0.4149705 0.3137504), wk = 0.0024938 k( 294) = ( 0.2343750 0.4059494 0.3137504), wk = 0.0024938 k( 295) = ( 0.2291667 0.3969283 0.3137504), wk = 0.0024938 k( 296) = ( 0.2239583 0.3879072 0.3137504), wk = 0.0024938 k( 297) = ( 0.2187500 0.3788861 0.3137504), wk = 0.0024938 k( 298) = ( 0.2135417 0.3698650 0.3137504), wk = 0.0024938 k( 299) = ( 0.2083333 0.3608439 0.3137504), wk = 0.0024938 k( 300) = ( 0.2031250 0.3518228 0.3137504), wk = 0.0024938 k( 301) = ( 0.1979167 0.3428017 0.3137504), wk = 0.0024938 k( 302) = ( 0.1927083 0.3337806 0.3137504), wk = 0.0024938 k( 303) = ( 0.1875000 0.3247595 0.3137504), wk = 0.0024938 k( 304) = ( 0.1822917 0.3157384 0.3137504), wk = 0.0024938 k( 305) = ( 0.1770833 0.3067173 0.3137504), wk = 0.0024938 k( 306) = ( 0.1718750 0.2976962 0.3137504), wk = 0.0024938 k( 307) = ( 0.1666667 0.2886751 0.3137504), wk = 0.0024938 k( 308) = ( 0.1614583 0.2796540 0.3137504), wk = 0.0024938 k( 309) = ( 0.1562500 0.2706329 0.3137504), wk = 0.0024938 k( 310) = ( 0.1510417 0.2616118 0.3137504), wk = 0.0024938 k( 311) = ( 0.1458333 0.2525907 0.3137504), wk = 0.0024938 k( 312) = ( 0.1406250 0.2435696 0.3137504), wk = 0.0024938 k( 313) = ( 0.1354167 0.2345486 0.3137504), wk = 0.0024938 k( 314) = ( 0.1302083 0.2255274 0.3137504), wk = 0.0024938 k( 315) = ( 0.1250000 0.2165064 0.3137504), wk = 0.0024938 k( 316) = ( 0.1197917 0.2074853 0.3137504), wk = 0.0024938 k( 317) = ( 0.1145833 0.1984641 0.3137504), wk = 0.0024938 k( 318) = ( 0.1093750 0.1894431 0.3137504), wk = 0.0024938 k( 319) = ( 0.1041667 0.1804220 0.3137504), wk = 0.0024938 k( 320) = ( 0.0989583 0.1714009 0.3137504), wk = 0.0024938 k( 321) = ( 0.0937500 0.1623798 0.3137504), wk = 0.0024938 k( 322) = ( 0.0885417 0.1533587 0.3137504), wk = 0.0024938 k( 323) = ( 0.0833333 0.1443376 0.3137504), wk = 0.0024938 k( 324) = ( 0.0781250 0.1353165 0.3137504), wk = 0.0024938 k( 325) = ( 0.0729167 0.1262954 0.3137504), wk = 0.0024938 k( 326) = ( 0.0677083 0.1172743 0.3137504), wk = 0.0024938 k( 327) = ( 0.0625000 0.1082532 0.3137504), wk = 0.0024938 k( 328) = ( 0.0572917 0.0992321 0.3137504), wk = 0.0024938 k( 329) = ( 0.0520833 0.0902110 0.3137504), wk = 0.0024938 k( 330) = ( 0.0468750 0.0811899 0.3137504), wk = 0.0024938 k( 331) = ( 0.0416667 0.0721688 0.3137504), wk = 0.0024938 k( 332) = ( 0.0364583 0.0631477 0.3137504), wk = 0.0024938 k( 333) = ( 0.0312500 0.0541266 0.3137504), wk = 0.0024938 k( 334) = ( 0.0260417 0.0451055 0.3137504), wk = 0.0024938 k( 335) = ( 0.0208333 0.0360844 0.3137504), wk = 0.0024938 k( 336) = ( 0.0156250 0.0270633 0.3137504), wk = 0.0024938 k( 337) = ( 0.0104167 0.0180422 0.3137504), wk = 0.0024938 k( 338) = ( 0.0052083 0.0090211 0.3137504), wk = 0.0024938 k( 339) = ( 0.0000000 0.0000000 0.3137504), wk = 0.0024938 k( 340) = ( 0.5000000 0.2886751 0.3137504), wk = 0.0024938 k( 341) = ( 0.5000000 0.2886751 0.3032921), wk = 0.0024938 k( 342) = ( 0.5000000 0.2886751 0.2928337), wk = 0.0024938 k( 343) = ( 0.5000000 0.2886751 0.2823754), wk = 0.0024938 k( 344) = ( 0.5000000 0.2886751 0.2719170), wk = 0.0024938 k( 345) = ( 0.5000000 0.2886751 0.2614587), wk = 0.0024938 k( 346) = ( 0.5000000 0.2886751 0.2510003), wk = 0.0024938 k( 347) = ( 0.5000000 0.2886751 0.2405420), wk = 0.0024938 k( 348) = ( 0.5000000 0.2886751 0.2300836), wk = 0.0024938 k( 349) = ( 0.5000000 0.2886751 0.2196253), wk = 0.0024938 k( 350) = ( 0.5000000 0.2886751 0.2091669), wk = 0.0024938 k( 351) = ( 0.5000000 0.2886751 0.1987086), wk = 0.0024938 k( 352) = ( 0.5000000 0.2886751 0.1882502), wk = 0.0024938 k( 353) = ( 0.5000000 0.2886751 0.1777919), wk = 0.0024938 k( 354) = ( 0.5000000 0.2886751 0.1673336), wk = 0.0024938 k( 355) = ( 0.5000000 0.2886751 0.1568752), wk = 0.0024938 k( 356) = ( 0.5000000 0.2886751 0.1464169), wk = 0.0024938 k( 357) = ( 0.5000000 0.2886751 0.1359585), wk = 0.0024938 k( 358) = ( 0.5000000 0.2886751 0.1255002), wk = 0.0024938 k( 359) = ( 0.5000000 0.2886751 0.1150418), wk = 0.0024938 k( 360) = ( 0.5000000 0.2886751 0.1045835), wk = 0.0024938 k( 361) = ( 0.5000000 0.2886751 0.0941251), wk = 0.0024938 k( 362) = ( 0.5000000 0.2886751 0.0836668), wk = 0.0024938 k( 363) = ( 0.5000000 0.2886751 0.0732084), wk = 0.0024938 k( 364) = ( 0.5000000 0.2886751 0.0627501), wk = 0.0024938 k( 365) = ( 0.5000000 0.2886751 0.0522917), wk = 0.0024938 k( 366) = ( 0.5000000 0.2886751 0.0418334), wk = 0.0024938 k( 367) = ( 0.5000000 0.2886751 0.0313750), wk = 0.0024938 k( 368) = ( 0.5000000 0.2886751 0.0209167), wk = 0.0024938 k( 369) = ( 0.5000000 0.2886751 0.0104583), wk = 0.0024938 k( 370) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0024938 k( 371) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0024938 k( 372) = ( 0.3333333 0.5773503 0.0104583), wk = 0.0024938 k( 373) = ( 0.3333333 0.5773503 0.0209167), wk = 0.0024938 k( 374) = ( 0.3333333 0.5773503 0.0313750), wk = 0.0024938 k( 375) = ( 0.3333333 0.5773503 0.0418334), wk = 0.0024938 k( 376) = ( 0.3333333 0.5773503 0.0522917), wk = 0.0024938 k( 377) = ( 0.3333333 0.5773503 0.0627501), wk = 0.0024938 k( 378) = ( 0.3333333 0.5773503 0.0732084), wk = 0.0024938 k( 379) = ( 0.3333333 0.5773503 0.0836668), wk = 0.0024938 k( 380) = ( 0.3333333 0.5773503 0.0941251), wk = 0.0024938 k( 381) = ( 0.3333333 0.5773503 0.1045835), wk = 0.0024938 k( 382) = ( 0.3333333 0.5773503 0.1150418), wk = 0.0024938 k( 383) = ( 0.3333333 0.5773503 0.1255002), wk = 0.0024938 k( 384) = ( 0.3333333 0.5773503 0.1359585), wk = 0.0024938 k( 385) = ( 0.3333333 0.5773503 0.1464169), wk = 0.0024938 k( 386) = ( 0.3333333 0.5773503 0.1568752), wk = 0.0024938 k( 387) = ( 0.3333333 0.5773503 0.1673336), wk = 0.0024938 k( 388) = ( 0.3333333 0.5773503 0.1777919), wk = 0.0024938 k( 389) = ( 0.3333333 0.5773503 0.1882502), wk = 0.0024938 k( 390) = ( 0.3333333 0.5773503 0.1987086), wk = 0.0024938 k( 391) = ( 0.3333333 0.5773503 0.2091669), wk = 0.0024938 k( 392) = ( 0.3333333 0.5773503 0.2196253), wk = 0.0024938 k( 393) = ( 0.3333333 0.5773503 0.2300836), wk = 0.0024938 k( 394) = ( 0.3333333 0.5773503 0.2405420), wk = 0.0024938 k( 395) = ( 0.3333333 0.5773503 0.2510003), wk = 0.0024938 k( 396) = ( 0.3333333 0.5773503 0.2614587), wk = 0.0024938 k( 397) = ( 0.3333333 0.5773503 0.2719170), wk = 0.0024938 k( 398) = ( 0.3333333 0.5773503 0.2823754), wk = 0.0024938 k( 399) = ( 0.3333333 0.5773503 0.2928337), wk = 0.0024938 k( 400) = ( 0.3333333 0.5773503 0.3032921), wk = 0.0024938 k( 401) = ( 0.3333333 0.5773503 0.3137504), wk = 0.0024938 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024938 k( 2) = ( 0.0090909 0.0000000 -0.0000000), wk = 0.0024938 k( 3) = ( 0.0181818 0.0000000 -0.0000000), wk = 0.0024938 k( 4) = ( 0.0272727 -0.0000000 -0.0000000), wk = 0.0024938 k( 5) = ( 0.0363636 0.0000000 -0.0000000), wk = 0.0024938 k( 6) = ( 0.0454546 0.0000000 -0.0000000), wk = 0.0024938 k( 7) = ( 0.0545455 0.0000000 -0.0000000), wk = 0.0024938 k( 8) = ( 0.0636364 0.0000000 -0.0000000), wk = 0.0024938 k( 9) = ( 0.0727273 0.0000000 -0.0000000), wk = 0.0024938 k( 10) = ( 0.0818182 0.0000000 -0.0000000), wk = 0.0024938 k( 11) = ( 0.0909091 0.0000000 -0.0000000), wk = 0.0024938 k( 12) = ( 0.1000000 0.0000000 -0.0000000), wk = 0.0024938 k( 13) = ( 0.1090909 0.0000000 0.0000000), wk = 0.0024938 k( 14) = ( 0.1181818 0.0000000 -0.0000000), wk = 0.0024938 k( 15) = ( 0.1272727 0.0000000 -0.0000000), wk = 0.0024938 k( 16) = ( 0.1363636 0.0000000 -0.0000000), wk = 0.0024938 k( 17) = ( 0.1454545 0.0000000 -0.0000000), wk = 0.0024938 k( 18) = ( 0.1545455 0.0000000 -0.0000000), wk = 0.0024938 k( 19) = ( 0.1636364 0.0000000 -0.0000000), wk = 0.0024938 k( 20) = ( 0.1727273 0.0000000 -0.0000000), wk = 0.0024938 k( 21) = ( 0.1818182 0.0000000 -0.0000000), wk = 0.0024938 k( 22) = ( 0.1909091 -0.0000000 -0.0000000), wk = 0.0024938 k( 23) = ( 0.2000000 0.0000000 -0.0000000), wk = 0.0024938 k( 24) = ( 0.2090909 0.0000000 -0.0000000), wk = 0.0024938 k( 25) = ( 0.2181818 0.0000000 0.0000000), wk = 0.0024938 k( 26) = ( 0.2272727 0.0000000 -0.0000000), wk = 0.0024938 k( 27) = ( 0.2363636 0.0000000 -0.0000000), wk = 0.0024938 k( 28) = ( 0.2454545 0.0000000 -0.0000000), wk = 0.0024938 k( 29) = ( 0.2545455 -0.0000000 -0.0000000), wk = 0.0024938 k( 30) = ( 0.2636364 0.0000000 -0.0000000), wk = 0.0024938 k( 31) = ( 0.2727273 -0.0000000 -0.0000000), wk = 0.0024938 k( 32) = ( 0.2818182 0.0000000 -0.0000000), wk = 0.0024938 k( 33) = ( 0.2909091 0.0000000 -0.0000000), wk = 0.0024938 k( 34) = ( 0.3000000 0.0000000 -0.0000000), wk = 0.0024938 k( 35) = ( 0.3090909 0.0000000 -0.0000000), wk = 0.0024938 k( 36) = ( 0.3181818 0.0000000 -0.0000000), wk = 0.0024938 k( 37) = ( 0.3272727 0.0000000 -0.0000000), wk = 0.0024938 k( 38) = ( 0.3363636 0.0000000 -0.0000000), wk = 0.0024938 k( 39) = ( 0.3454546 0.0000000 -0.0000000), wk = 0.0024938 k( 40) = ( 0.3545454 0.0000000 -0.0000000), wk = 0.0024938 k( 41) = ( 0.3636364 0.0000000 -0.0000000), wk = 0.0024938 k( 42) = ( 0.3727273 0.0000000 -0.0000000), wk = 0.0024938 k( 43) = ( 0.3818182 -0.0000000 -0.0000000), wk = 0.0024938 k( 44) = ( 0.3909091 0.0000000 -0.0000000), wk = 0.0024938 k( 45) = ( 0.4000000 0.0000000 -0.0000000), wk = 0.0024938 k( 46) = ( 0.4090909 0.0000000 -0.0000000), wk = 0.0024938 k( 47) = ( 0.4181818 0.0000000 -0.0000000), wk = 0.0024938 k( 48) = ( 0.4272727 0.0000000 -0.0000000), wk = 0.0024938 k( 49) = ( 0.4363636 0.0000000 0.0000000), wk = 0.0024938 k( 50) = ( 0.4454546 0.0000000 0.0000000), wk = 0.0024938 k( 51) = ( 0.4545455 0.0000000 -0.0000000), wk = 0.0024938 k( 52) = ( 0.4636364 0.0000000 -0.0000000), wk = 0.0024938 k( 53) = ( 0.4727273 0.0000000 0.0000000), wk = 0.0024938 k( 54) = ( 0.4818182 0.0000000 -0.0000000), wk = 0.0024938 k( 55) = ( 0.4909091 0.0000000 0.0000000), wk = 0.0024938 k( 56) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024938 k( 57) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024938 k( 58) = ( 0.4947917 0.0104167 -0.0000000), wk = 0.0024938 k( 59) = ( 0.4895833 0.0208333 -0.0000000), wk = 0.0024938 k( 60) = ( 0.4843750 0.0312500 -0.0000000), wk = 0.0024938 k( 61) = ( 0.4791667 0.0416667 -0.0000000), wk = 0.0024938 k( 62) = ( 0.4739583 0.0520833 -0.0000000), wk = 0.0024938 k( 63) = ( 0.4687500 0.0625000 -0.0000000), wk = 0.0024938 k( 64) = ( 0.4635417 0.0729167 0.0000000), wk = 0.0024938 k( 65) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0024938 k( 66) = ( 0.4531250 0.0937500 -0.0000000), wk = 0.0024938 k( 67) = ( 0.4479167 0.1041667 -0.0000000), wk = 0.0024938 k( 68) = ( 0.4427083 0.1145833 -0.0000000), wk = 0.0024938 k( 69) = ( 0.4375000 0.1250000 -0.0000000), wk = 0.0024938 k( 70) = ( 0.4322917 0.1354167 -0.0000000), wk = 0.0024938 k( 71) = ( 0.4270833 0.1458333 0.0000000), wk = 0.0024938 k( 72) = ( 0.4218750 0.1562500 -0.0000000), wk = 0.0024938 k( 73) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0024938 k( 74) = ( 0.4114583 0.1770833 -0.0000000), wk = 0.0024938 k( 75) = ( 0.4062500 0.1875000 -0.0000000), wk = 0.0024938 k( 76) = ( 0.4010417 0.1979167 -0.0000000), wk = 0.0024938 k( 77) = ( 0.3958333 0.2083333 -0.0000000), wk = 0.0024938 k( 78) = ( 0.3906250 0.2187500 0.0000000), wk = 0.0024938 k( 79) = ( 0.3854167 0.2291667 -0.0000000), wk = 0.0024938 k( 80) = ( 0.3802083 0.2395833 -0.0000000), wk = 0.0024938 k( 81) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0024938 k( 82) = ( 0.3697917 0.2604167 0.0000000), wk = 0.0024938 k( 83) = ( 0.3645833 0.2708333 0.0000000), wk = 0.0024938 k( 84) = ( 0.3593750 0.2812500 0.0000000), wk = 0.0024938 k( 85) = ( 0.3541667 0.2916667 -0.0000000), wk = 0.0024938 k( 86) = ( 0.3489583 0.3020833 -0.0000000), wk = 0.0024938 k( 87) = ( 0.3437500 0.3125000 0.0000000), wk = 0.0024938 k( 88) = ( 0.3385417 0.3229167 -0.0000000), wk = 0.0024938 k( 89) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0024938 k( 90) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0024938 k( 91) = ( 0.3281250 0.3281250 -0.0000000), wk = 0.0024938 k( 92) = ( 0.3229167 0.3229167 -0.0000000), wk = 0.0024938 k( 93) = ( 0.3177083 0.3177083 0.0000000), wk = 0.0024938 k( 94) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0024938 k( 95) = ( 0.3072917 0.3072917 -0.0000000), wk = 0.0024938 k( 96) = ( 0.3020833 0.3020833 0.0000000), wk = 0.0024938 k( 97) = ( 0.2968750 0.2968750 0.0000000), wk = 0.0024938 k( 98) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0024938 k( 99) = ( 0.2864583 0.2864583 -0.0000000), wk = 0.0024938 k( 100) = ( 0.2812500 0.2812500 0.0000000), wk = 0.0024938 k( 101) = ( 0.2760417 0.2760417 0.0000000), wk = 0.0024938 k( 102) = ( 0.2708333 0.2708333 0.0000000), wk = 0.0024938 k( 103) = ( 0.2656250 0.2656250 -0.0000000), wk = 0.0024938 k( 104) = ( 0.2604167 0.2604167 0.0000000), wk = 0.0024938 k( 105) = ( 0.2552083 0.2552083 0.0000000), wk = 0.0024938 k( 106) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0024938 k( 107) = ( 0.2447917 0.2447917 0.0000000), wk = 0.0024938 k( 108) = ( 0.2395833 0.2395833 -0.0000000), wk = 0.0024938 k( 109) = ( 0.2343750 0.2343750 -0.0000000), wk = 0.0024938 k( 110) = ( 0.2291667 0.2291667 -0.0000000), wk = 0.0024938 k( 111) = ( 0.2239583 0.2239583 -0.0000000), wk = 0.0024938 k( 112) = ( 0.2187500 0.2187500 -0.0000000), wk = 0.0024938 k( 113) = ( 0.2135417 0.2135417 -0.0000000), wk = 0.0024938 k( 114) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0024938 k( 115) = ( 0.2031250 0.2031250 -0.0000000), wk = 0.0024938 k( 116) = ( 0.1979167 0.1979167 -0.0000000), wk = 0.0024938 k( 117) = ( 0.1927083 0.1927083 0.0000000), wk = 0.0024938 k( 118) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0024938 k( 119) = ( 0.1822917 0.1822917 0.0000000), wk = 0.0024938 k( 120) = ( 0.1770833 0.1770833 0.0000000), wk = 0.0024938 k( 121) = ( 0.1718750 0.1718750 0.0000000), wk = 0.0024938 k( 122) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0024938 k( 123) = ( 0.1614583 0.1614583 0.0000000), wk = 0.0024938 k( 124) = ( 0.1562500 0.1562500 0.0000000), wk = 0.0024938 k( 125) = ( 0.1510417 0.1510417 0.0000000), wk = 0.0024938 k( 126) = ( 0.1458333 0.1458333 -0.0000000), wk = 0.0024938 k( 127) = ( 0.1406250 0.1406250 0.0000000), wk = 0.0024938 k( 128) = ( 0.1354167 0.1354167 -0.0000000), wk = 0.0024938 k( 129) = ( 0.1302083 0.1302083 -0.0000000), wk = 0.0024938 k( 130) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0024938 k( 131) = ( 0.1197917 0.1197917 0.0000000), wk = 0.0024938 k( 132) = ( 0.1145833 0.1145833 -0.0000000), wk = 0.0024938 k( 133) = ( 0.1093750 0.1093750 -0.0000000), wk = 0.0024938 k( 134) = ( 0.1041667 0.1041667 0.0000000), wk = 0.0024938 k( 135) = ( 0.0989583 0.0989583 -0.0000000), wk = 0.0024938 k( 136) = ( 0.0937500 0.0937500 -0.0000000), wk = 0.0024938 k( 137) = ( 0.0885417 0.0885417 0.0000000), wk = 0.0024938 k( 138) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0024938 k( 139) = ( 0.0781250 0.0781250 0.0000000), wk = 0.0024938 k( 140) = ( 0.0729167 0.0729167 0.0000000), wk = 0.0024938 k( 141) = ( 0.0677083 0.0677083 -0.0000000), wk = 0.0024938 k( 142) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0024938 k( 143) = ( 0.0572917 0.0572917 0.0000000), wk = 0.0024938 k( 144) = ( 0.0520833 0.0520833 0.0000000), wk = 0.0024938 k( 145) = ( 0.0468750 0.0468750 -0.0000000), wk = 0.0024938 k( 146) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0024938 k( 147) = ( 0.0364583 0.0364583 -0.0000000), wk = 0.0024938 k( 148) = ( 0.0312500 0.0312500 -0.0000000), wk = 0.0024938 k( 149) = ( 0.0260417 0.0260417 -0.0000000), wk = 0.0024938 k( 150) = ( 0.0208333 0.0208333 -0.0000000), wk = 0.0024938 k( 151) = ( 0.0156250 0.0156250 -0.0000000), wk = 0.0024938 k( 152) = ( 0.0104167 0.0104167 -0.0000000), wk = 0.0024938 k( 153) = ( 0.0052083 0.0052083 0.0000000), wk = 0.0024938 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024938 k( 155) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024938 k( 156) = ( 0.0000000 0.0000000 0.0166667), wk = 0.0024938 k( 157) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0024938 k( 158) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0024938 k( 159) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0024938 k( 160) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0024938 k( 161) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0024938 k( 162) = ( 0.0000000 0.0000000 0.1166667), wk = 0.0024938 k( 163) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0024938 k( 164) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0024938 k( 165) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0024938 k( 166) = ( 0.0000000 0.0000000 0.1833333), wk = 0.0024938 k( 167) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0024938 k( 168) = ( 0.0000000 0.0000000 0.2166667), wk = 0.0024938 k( 169) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0024938 k( 170) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0024938 k( 171) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0024938 k( 172) = ( 0.0000000 0.0000000 0.2833333), wk = 0.0024938 k( 173) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0024938 k( 174) = ( 0.0000000 0.0000000 0.3166667), wk = 0.0024938 k( 175) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0024938 k( 176) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0024938 k( 177) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0024938 k( 178) = ( 0.0000000 0.0000000 0.3833333), wk = 0.0024938 k( 179) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0024938 k( 180) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0024938 k( 181) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0024938 k( 182) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0024938 k( 183) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0024938 k( 184) = ( 0.0000000 0.0000000 0.4833333), wk = 0.0024938 k( 185) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024938 k( 186) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024938 k( 187) = ( 0.0090909 0.0000000 0.5000000), wk = 0.0024938 k( 188) = ( 0.0181818 0.0000000 0.5000000), wk = 0.0024938 k( 189) = ( 0.0272727 -0.0000000 0.5000000), wk = 0.0024938 k( 190) = ( 0.0363636 0.0000000 0.5000000), wk = 0.0024938 k( 191) = ( 0.0454546 0.0000000 0.5000000), wk = 0.0024938 k( 192) = ( 0.0545455 0.0000000 0.5000000), wk = 0.0024938 k( 193) = ( 0.0636364 0.0000000 0.5000000), wk = 0.0024938 k( 194) = ( 0.0727273 0.0000000 0.5000000), wk = 0.0024938 k( 195) = ( 0.0818182 0.0000000 0.5000000), wk = 0.0024938 k( 196) = ( 0.0909091 0.0000000 0.5000000), wk = 0.0024938 k( 197) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0024938 k( 198) = ( 0.1090909 0.0000000 0.5000000), wk = 0.0024938 k( 199) = ( 0.1181818 0.0000000 0.5000000), wk = 0.0024938 k( 200) = ( 0.1272727 0.0000000 0.5000000), wk = 0.0024938 k( 201) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0024938 k( 202) = ( 0.1454545 0.0000000 0.5000000), wk = 0.0024938 k( 203) = ( 0.1545455 0.0000000 0.5000000), wk = 0.0024938 k( 204) = ( 0.1636364 0.0000000 0.5000000), wk = 0.0024938 k( 205) = ( 0.1727273 0.0000000 0.5000000), wk = 0.0024938 k( 206) = ( 0.1818182 0.0000000 0.5000000), wk = 0.0024938 k( 207) = ( 0.1909091 -0.0000000 0.5000000), wk = 0.0024938 k( 208) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0024938 k( 209) = ( 0.2090909 0.0000000 0.5000000), wk = 0.0024938 k( 210) = ( 0.2181818 0.0000000 0.5000000), wk = 0.0024938 k( 211) = ( 0.2272727 0.0000000 0.5000000), wk = 0.0024938 k( 212) = ( 0.2363636 0.0000000 0.5000000), wk = 0.0024938 k( 213) = ( 0.2454545 0.0000000 0.5000000), wk = 0.0024938 k( 214) = ( 0.2545455 -0.0000000 0.5000000), wk = 0.0024938 k( 215) = ( 0.2636364 0.0000000 0.5000000), wk = 0.0024938 k( 216) = ( 0.2727273 -0.0000000 0.5000000), wk = 0.0024938 k( 217) = ( 0.2818182 0.0000000 0.5000000), wk = 0.0024938 k( 218) = ( 0.2909091 0.0000000 0.5000000), wk = 0.0024938 k( 219) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0024938 k( 220) = ( 0.3090909 0.0000000 0.5000000), wk = 0.0024938 k( 221) = ( 0.3181818 0.0000000 0.5000000), wk = 0.0024938 k( 222) = ( 0.3272727 0.0000000 0.5000000), wk = 0.0024938 k( 223) = ( 0.3363636 0.0000000 0.5000000), wk = 0.0024938 k( 224) = ( 0.3454546 0.0000000 0.5000000), wk = 0.0024938 k( 225) = ( 0.3545454 0.0000000 0.5000000), wk = 0.0024938 k( 226) = ( 0.3636364 0.0000000 0.5000000), wk = 0.0024938 k( 227) = ( 0.3727273 0.0000000 0.5000000), wk = 0.0024938 k( 228) = ( 0.3818182 -0.0000000 0.5000000), wk = 0.0024938 k( 229) = ( 0.3909091 0.0000000 0.5000000), wk = 0.0024938 k( 230) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0024938 k( 231) = ( 0.4090909 0.0000000 0.5000000), wk = 0.0024938 k( 232) = ( 0.4181818 0.0000000 0.5000000), wk = 0.0024938 k( 233) = ( 0.4272727 0.0000000 0.5000000), wk = 0.0024938 k( 234) = ( 0.4363636 0.0000000 0.5000000), wk = 0.0024938 k( 235) = ( 0.4454546 0.0000000 0.5000000), wk = 0.0024938 k( 236) = ( 0.4545455 0.0000000 0.5000000), wk = 0.0024938 k( 237) = ( 0.4636364 0.0000000 0.5000000), wk = 0.0024938 k( 238) = ( 0.4727273 0.0000000 0.5000000), wk = 0.0024938 k( 239) = ( 0.4818182 0.0000000 0.5000000), wk = 0.0024938 k( 240) = ( 0.4909091 0.0000000 0.5000000), wk = 0.0024938 k( 241) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024938 k( 242) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024938 k( 243) = ( 0.4947917 0.0104167 0.5000000), wk = 0.0024938 k( 244) = ( 0.4895833 0.0208333 0.5000000), wk = 0.0024938 k( 245) = ( 0.4843750 0.0312500 0.5000000), wk = 0.0024938 k( 246) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0024938 k( 247) = ( 0.4739583 0.0520833 0.5000000), wk = 0.0024938 k( 248) = ( 0.4687500 0.0625000 0.5000000), wk = 0.0024938 k( 249) = ( 0.4635417 0.0729167 0.5000000), wk = 0.0024938 k( 250) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0024938 k( 251) = ( 0.4531250 0.0937500 0.5000000), wk = 0.0024938 k( 252) = ( 0.4479167 0.1041667 0.5000000), wk = 0.0024938 k( 253) = ( 0.4427083 0.1145833 0.5000000), wk = 0.0024938 k( 254) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0024938 k( 255) = ( 0.4322917 0.1354167 0.5000000), wk = 0.0024938 k( 256) = ( 0.4270833 0.1458333 0.5000000), wk = 0.0024938 k( 257) = ( 0.4218750 0.1562500 0.5000000), wk = 0.0024938 k( 258) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0024938 k( 259) = ( 0.4114583 0.1770833 0.5000000), wk = 0.0024938 k( 260) = ( 0.4062500 0.1875000 0.5000000), wk = 0.0024938 k( 261) = ( 0.4010417 0.1979167 0.5000000), wk = 0.0024938 k( 262) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0024938 k( 263) = ( 0.3906250 0.2187500 0.5000000), wk = 0.0024938 k( 264) = ( 0.3854167 0.2291667 0.5000000), wk = 0.0024938 k( 265) = ( 0.3802083 0.2395833 0.5000000), wk = 0.0024938 k( 266) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0024938 k( 267) = ( 0.3697917 0.2604167 0.5000000), wk = 0.0024938 k( 268) = ( 0.3645833 0.2708333 0.5000000), wk = 0.0024938 k( 269) = ( 0.3593750 0.2812500 0.5000000), wk = 0.0024938 k( 270) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0024938 k( 271) = ( 0.3489583 0.3020833 0.5000000), wk = 0.0024938 k( 272) = ( 0.3437500 0.3125000 0.5000000), wk = 0.0024938 k( 273) = ( 0.3385417 0.3229167 0.5000000), wk = 0.0024938 k( 274) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0024938 k( 275) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0024938 k( 276) = ( 0.3281250 0.3281250 0.5000000), wk = 0.0024938 k( 277) = ( 0.3229167 0.3229167 0.5000000), wk = 0.0024938 k( 278) = ( 0.3177083 0.3177083 0.5000000), wk = 0.0024938 k( 279) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0024938 k( 280) = ( 0.3072917 0.3072917 0.5000000), wk = 0.0024938 k( 281) = ( 0.3020833 0.3020833 0.5000000), wk = 0.0024938 k( 282) = ( 0.2968750 0.2968750 0.5000000), wk = 0.0024938 k( 283) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0024938 k( 284) = ( 0.2864583 0.2864583 0.5000000), wk = 0.0024938 k( 285) = ( 0.2812500 0.2812500 0.5000000), wk = 0.0024938 k( 286) = ( 0.2760417 0.2760417 0.5000000), wk = 0.0024938 k( 287) = ( 0.2708333 0.2708333 0.5000000), wk = 0.0024938 k( 288) = ( 0.2656250 0.2656250 0.5000000), wk = 0.0024938 k( 289) = ( 0.2604167 0.2604167 0.5000000), wk = 0.0024938 k( 290) = ( 0.2552083 0.2552083 0.5000000), wk = 0.0024938 k( 291) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0024938 k( 292) = ( 0.2447917 0.2447917 0.5000000), wk = 0.0024938 k( 293) = ( 0.2395833 0.2395833 0.5000000), wk = 0.0024938 k( 294) = ( 0.2343750 0.2343750 0.5000000), wk = 0.0024938 k( 295) = ( 0.2291667 0.2291667 0.5000000), wk = 0.0024938 k( 296) = ( 0.2239583 0.2239583 0.5000000), wk = 0.0024938 k( 297) = ( 0.2187500 0.2187500 0.5000000), wk = 0.0024938 k( 298) = ( 0.2135417 0.2135417 0.5000000), wk = 0.0024938 k( 299) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0024938 k( 300) = ( 0.2031250 0.2031250 0.5000000), wk = 0.0024938 k( 301) = ( 0.1979167 0.1979167 0.5000000), wk = 0.0024938 k( 302) = ( 0.1927083 0.1927083 0.5000000), wk = 0.0024938 k( 303) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0024938 k( 304) = ( 0.1822917 0.1822917 0.5000000), wk = 0.0024938 k( 305) = ( 0.1770833 0.1770833 0.5000000), wk = 0.0024938 k( 306) = ( 0.1718750 0.1718750 0.5000000), wk = 0.0024938 k( 307) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0024938 k( 308) = ( 0.1614583 0.1614583 0.5000000), wk = 0.0024938 k( 309) = ( 0.1562500 0.1562500 0.5000000), wk = 0.0024938 k( 310) = ( 0.1510417 0.1510417 0.5000000), wk = 0.0024938 k( 311) = ( 0.1458333 0.1458333 0.5000000), wk = 0.0024938 k( 312) = ( 0.1406250 0.1406250 0.5000000), wk = 0.0024938 k( 313) = ( 0.1354167 0.1354167 0.5000000), wk = 0.0024938 k( 314) = ( 0.1302083 0.1302083 0.5000000), wk = 0.0024938 k( 315) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0024938 k( 316) = ( 0.1197917 0.1197917 0.5000000), wk = 0.0024938 k( 317) = ( 0.1145833 0.1145833 0.5000000), wk = 0.0024938 k( 318) = ( 0.1093750 0.1093750 0.5000000), wk = 0.0024938 k( 319) = ( 0.1041667 0.1041667 0.5000000), wk = 0.0024938 k( 320) = ( 0.0989583 0.0989583 0.5000000), wk = 0.0024938 k( 321) = ( 0.0937500 0.0937500 0.5000000), wk = 0.0024938 k( 322) = ( 0.0885417 0.0885417 0.5000000), wk = 0.0024938 k( 323) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0024938 k( 324) = ( 0.0781250 0.0781250 0.5000000), wk = 0.0024938 k( 325) = ( 0.0729167 0.0729167 0.5000000), wk = 0.0024938 k( 326) = ( 0.0677083 0.0677083 0.5000000), wk = 0.0024938 k( 327) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0024938 k( 328) = ( 0.0572917 0.0572917 0.5000000), wk = 0.0024938 k( 329) = ( 0.0520833 0.0520833 0.5000000), wk = 0.0024938 k( 330) = ( 0.0468750 0.0468750 0.5000000), wk = 0.0024938 k( 331) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0024938 k( 332) = ( 0.0364583 0.0364583 0.5000000), wk = 0.0024938 k( 333) = ( 0.0312500 0.0312500 0.5000000), wk = 0.0024938 k( 334) = ( 0.0260417 0.0260417 0.5000000), wk = 0.0024938 k( 335) = ( 0.0208333 0.0208333 0.5000000), wk = 0.0024938 k( 336) = ( 0.0156250 0.0156250 0.5000000), wk = 0.0024938 k( 337) = ( 0.0104167 0.0104167 0.5000000), wk = 0.0024938 k( 338) = ( 0.0052083 0.0052083 0.5000000), wk = 0.0024938 k( 339) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024938 k( 340) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024938 k( 341) = ( 0.5000000 0.0000000 0.4833333), wk = 0.0024938 k( 342) = ( 0.5000000 0.0000000 0.4666667), wk = 0.0024938 k( 343) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0024938 k( 344) = ( 0.5000000 0.0000000 0.4333333), wk = 0.0024938 k( 345) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0024938 k( 346) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0024938 k( 347) = ( 0.5000000 0.0000000 0.3833333), wk = 0.0024938 k( 348) = ( 0.5000000 0.0000000 0.3666667), wk = 0.0024938 k( 349) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0024938 k( 350) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0024938 k( 351) = ( 0.5000000 0.0000000 0.3166667), wk = 0.0024938 k( 352) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0024938 k( 353) = ( 0.5000000 0.0000000 0.2833333), wk = 0.0024938 k( 354) = ( 0.5000000 0.0000000 0.2666667), wk = 0.0024938 k( 355) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0024938 k( 356) = ( 0.5000000 0.0000000 0.2333333), wk = 0.0024938 k( 357) = ( 0.5000000 0.0000000 0.2166667), wk = 0.0024938 k( 358) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0024938 k( 359) = ( 0.5000000 0.0000000 0.1833333), wk = 0.0024938 k( 360) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0024938 k( 361) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0024938 k( 362) = ( 0.5000000 0.0000000 0.1333333), wk = 0.0024938 k( 363) = ( 0.5000000 0.0000000 0.1166667), wk = 0.0024938 k( 364) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0024938 k( 365) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0024938 k( 366) = ( 0.5000000 0.0000000 0.0666667), wk = 0.0024938 k( 367) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0024938 k( 368) = ( 0.5000000 0.0000000 0.0333333), wk = 0.0024938 k( 369) = ( 0.5000000 0.0000000 0.0166667), wk = 0.0024938 k( 370) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0024938 k( 371) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0024938 k( 372) = ( 0.3333333 0.3333333 0.0166667), wk = 0.0024938 k( 373) = ( 0.3333333 0.3333333 0.0333333), wk = 0.0024938 k( 374) = ( 0.3333333 0.3333333 0.0500000), wk = 0.0024938 k( 375) = ( 0.3333333 0.3333333 0.0666667), wk = 0.0024938 k( 376) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0024938 k( 377) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0024938 k( 378) = ( 0.3333333 0.3333333 0.1166667), wk = 0.0024938 k( 379) = ( 0.3333333 0.3333333 0.1333333), wk = 0.0024938 k( 380) = ( 0.3333333 0.3333333 0.1500000), wk = 0.0024938 k( 381) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0024938 k( 382) = ( 0.3333333 0.3333333 0.1833333), wk = 0.0024938 k( 383) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0024938 k( 384) = ( 0.3333333 0.3333333 0.2166667), wk = 0.0024938 k( 385) = ( 0.3333333 0.3333333 0.2333333), wk = 0.0024938 k( 386) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0024938 k( 387) = ( 0.3333333 0.3333333 0.2666667), wk = 0.0024938 k( 388) = ( 0.3333333 0.3333333 0.2833333), wk = 0.0024938 k( 389) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0024938 k( 390) = ( 0.3333333 0.3333333 0.3166667), wk = 0.0024938 k( 391) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0024938 k( 392) = ( 0.3333333 0.3333333 0.3500000), wk = 0.0024938 k( 393) = ( 0.3333333 0.3333333 0.3666667), wk = 0.0024938 k( 394) = ( 0.3333333 0.3333333 0.3833333), wk = 0.0024938 k( 395) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0024938 k( 396) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0024938 k( 397) = ( 0.3333333 0.3333333 0.4333333), wk = 0.0024938 k( 398) = ( 0.3333333 0.3333333 0.4500000), wk = 0.0024938 k( 399) = ( 0.3333333 0.3333333 0.4666667), wk = 0.0024938 k( 400) = ( 0.3333333 0.3333333 0.4833333), wk = 0.0024938 k( 401) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0024938 Dense grid: 45891 G-vectors FFT dimensions: ( 40, 40, 64) Smooth grid: 16623 G-vectors FFT dimensions: ( 30, 30, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 132, 30) NL pseudopotentials 0.07 Mb ( 66, 68) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 1278) G-vector shells 0.00 Mb ( 623) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.24 Mb ( 132, 120) Each subspace H/S matrix 0.01 Mb ( 30, 30) Each matrix 0.06 Mb ( 68, 2, 30) Check: negative/imaginary core charge= -0.000012 0.000000 The potential is recalculated from file : ./Sc.save/charge-density.dat Starting wfc are 40 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.2 secs Computing kpt #: 2 total cpu time spent up to now is 5.5 secs Computing kpt #: 3 total cpu time spent up to now is 5.7 secs Computing kpt #: 4 total cpu time spent up to now is 5.9 secs Computing kpt #: 5 total cpu time spent up to now is 6.1 secs Computing kpt #: 6 total cpu time spent up to now is 6.4 secs Computing kpt #: 7 total cpu time spent up to now is 6.6 secs Computing kpt #: 8 total cpu time spent up to now is 6.8 secs Computing kpt #: 9 total cpu time spent up to now is 7.0 secs Computing kpt #: 10 total cpu time spent up to now is 7.3 secs Computing kpt #: 11 total cpu time spent up to now is 7.5 secs Computing kpt #: 12 total cpu time spent up to now is 7.7 secs Computing kpt #: 13 total cpu time spent up to now is 8.0 secs Computing kpt #: 14 total cpu time spent up to now is 8.3 secs Computing kpt #: 15 total cpu time spent up to now is 8.6 secs Computing kpt #: 16 total cpu time spent up to now is 9.3 secs Computing kpt #: 17 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 9.9 secs Computing kpt #: 18 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 10.6 secs Computing kpt #: 19 total cpu time spent up to now is 11.1 secs Computing kpt #: 20 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 11.9 secs Computing kpt #: 21 total cpu time spent up to now is 12.3 secs Computing kpt #: 22 total cpu time spent up to now is 12.8 secs Computing kpt #: 23 total cpu time spent up to now is 13.9 secs Computing kpt #: 24 total cpu time spent up to now is 14.2 secs Computing kpt #: 25 total cpu time spent up to now is 14.5 secs Computing kpt #: 26 total cpu time spent up to now is 14.8 secs Computing kpt #: 27 total cpu time spent up to now is 14.9 secs Computing kpt #: 28 total cpu time spent up to now is 15.1 secs Computing kpt #: 29 total cpu time spent up to now is 15.3 secs Computing kpt #: 30 total cpu time spent up to now is 15.5 secs Computing kpt #: 31 total cpu time spent up to now is 15.7 secs Computing kpt #: 32 total cpu time spent up to now is 15.9 secs Computing kpt #: 33 total cpu time spent up to now is 16.1 secs Computing kpt #: 34 total cpu time spent up to now is 16.3 secs Computing kpt #: 35 total cpu time spent up to now is 16.5 secs Computing kpt #: 36 total cpu time spent up to now is 16.7 secs Computing kpt #: 37 total cpu time spent up to now is 16.9 secs Computing kpt #: 38 total cpu time spent up to now is 17.1 secs Computing kpt #: 39 total cpu time spent up to now is 17.3 secs Computing kpt #: 40 total cpu time spent up to now is 17.6 secs Computing kpt #: 41 total cpu time spent up to now is 17.8 secs Computing kpt #: 42 total cpu time spent up to now is 18.0 secs Computing kpt #: 43 total cpu time spent up to now is 18.2 secs Computing kpt #: 44 total cpu time spent up to now is 18.4 secs Computing kpt #: 45 total cpu time spent up to now is 18.6 secs Computing kpt #: 46 total cpu time spent up to now is 18.8 secs Computing kpt #: 47 total cpu time spent up to now is 19.1 secs Computing kpt #: 48 total cpu time spent up to now is 19.3 secs Computing kpt #: 49 total cpu time spent up to now is 19.5 secs Computing kpt #: 50 total cpu time spent up to now is 19.7 secs Computing kpt #: 51 total cpu time spent up to now is 19.9 secs Computing kpt #: 52 total cpu time spent up to now is 20.1 secs Computing kpt #: 53 total cpu time spent up to now is 20.3 secs Computing kpt #: 54 total cpu time spent up to now is 20.5 secs Computing kpt #: 55 total cpu time spent up to now is 20.7 secs Computing kpt #: 56 total cpu time spent up to now is 20.9 secs Computing kpt #: 57 total cpu time spent up to now is 21.1 secs Computing kpt #: 58 total cpu time spent up to now is 21.3 secs Computing kpt #: 59 total cpu time spent up to now is 21.5 secs Computing kpt #: 60 total cpu time spent up to now is 21.7 secs Computing kpt #: 61 total cpu time spent up to now is 21.9 secs Computing kpt #: 62 total cpu time spent up to now is 22.1 secs Computing kpt #: 63 total cpu time spent up to now is 22.4 secs Computing kpt #: 64 total cpu time spent up to now is 22.6 secs Computing kpt #: 65 total cpu time spent up to now is 22.8 secs Computing kpt #: 66 total cpu time spent up to now is 23.0 secs Computing kpt #: 67 total cpu time spent up to now is 23.2 secs Computing kpt #: 68 total cpu time spent up to now is 23.4 secs Computing kpt #: 69 total cpu time spent up to now is 23.6 secs Computing kpt #: 70 total cpu time spent up to now is 23.9 secs Computing kpt #: 71 total cpu time spent up to now is 24.1 secs Computing kpt #: 72 total cpu time spent up to now is 24.3 secs Computing kpt #: 73 total cpu time spent up to now is 24.6 secs Computing kpt #: 74 total cpu time spent up to now is 24.8 secs Computing kpt #: 75 total cpu time spent up to now is 25.0 secs Computing kpt #: 76 total cpu time spent up to now is 25.3 secs Computing kpt #: 77 total cpu time spent up to now is 25.5 secs Computing kpt #: 78 total cpu time spent up to now is 25.7 secs Computing kpt #: 79 total cpu time spent up to now is 26.0 secs Computing kpt #: 80 total cpu time spent up to now is 26.2 secs Computing kpt #: 81 total cpu time spent up to now is 26.5 secs Computing kpt #: 82 total cpu time spent up to now is 26.7 secs Computing kpt #: 83 total cpu time spent up to now is 26.9 secs Computing kpt #: 84 total cpu time spent up to now is 27.1 secs Computing kpt #: 85 total cpu time spent up to now is 27.4 secs Computing kpt #: 86 total cpu time spent up to now is 27.6 secs Computing kpt #: 87 total cpu time spent up to now is 27.8 secs Computing kpt #: 88 total cpu time spent up to now is 27.9 secs Computing kpt #: 89 total cpu time spent up to now is 28.1 secs Computing kpt #: 90 total cpu time spent up to now is 28.3 secs Computing kpt #: 91 total cpu time spent up to now is 28.5 secs Computing kpt #: 92 total cpu time spent up to now is 28.7 secs Computing kpt #: 93 total cpu time spent up to now is 28.9 secs Computing kpt #: 94 total cpu time spent up to now is 29.0 secs Computing kpt #: 95 total cpu time spent up to now is 29.2 secs Computing kpt #: 96 total cpu time spent up to now is 29.4 secs Computing kpt #: 97 total cpu time spent up to now is 29.6 secs Computing kpt #: 98 total cpu time spent up to now is 29.8 secs Computing kpt #: 99 total cpu time spent up to now is 30.0 secs Computing kpt #: 100 total cpu time spent up to now is 30.1 secs Computing kpt #: 101 total cpu time spent up to now is 30.3 secs Computing kpt #: 102 total cpu time spent up to now is 30.5 secs Computing kpt #: 103 total cpu time spent up to now is 30.6 secs Computing kpt #: 104 total cpu time spent up to now is 30.8 secs Computing kpt #: 105 total cpu time spent up to now is 31.0 secs Computing kpt #: 106 total cpu time spent up to now is 31.2 secs Computing kpt #: 107 total cpu time spent up to now is 31.4 secs Computing kpt #: 108 total cpu time spent up to now is 31.6 secs Computing kpt #: 109 total cpu time spent up to now is 31.8 secs Computing kpt #: 110 total cpu time spent up to now is 32.0 secs Computing kpt #: 111 total cpu time spent up to now is 32.2 secs Computing kpt #: 112 total cpu time spent up to now is 32.4 secs Computing kpt #: 113 total cpu time spent up to now is 32.6 secs Computing kpt #: 114 total cpu time spent up to now is 32.8 secs Computing kpt #: 115 total cpu time spent up to now is 33.0 secs Computing kpt #: 116 total cpu time spent up to now is 33.2 secs Computing kpt #: 117 total cpu time spent up to now is 33.4 secs Computing kpt #: 118 total cpu time spent up to now is 33.6 secs Computing kpt #: 119 total cpu time spent up to now is 33.7 secs Computing kpt #: 120 total cpu time spent up to now is 34.0 secs Computing kpt #: 121 total cpu time spent up to now is 34.2 secs Computing kpt #: 122 total cpu time spent up to now is 34.3 secs Computing kpt #: 123 total cpu time spent up to now is 34.6 secs Computing kpt #: 124 total cpu time spent up to now is 34.9 secs Computing kpt #: 125 total cpu time spent up to now is 35.1 secs Computing kpt #: 126 total cpu time spent up to now is 35.4 secs Computing kpt #: 127 total cpu time spent up to now is 35.8 secs Computing kpt #: 128 total cpu time spent up to now is 36.2 secs Computing kpt #: 129 total cpu time spent up to now is 36.7 secs Computing kpt #: 130 total cpu time spent up to now is 37.1 secs Computing kpt #: 131 total cpu time spent up to now is 37.7 secs Computing kpt #: 132 total cpu time spent up to now is 38.2 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 38.9 secs Computing kpt #: 134 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 39.6 secs Computing kpt #: 135 total cpu time spent up to now is 39.9 secs Computing kpt #: 136 total cpu time spent up to now is 40.2 secs Computing kpt #: 137 total cpu time spent up to now is 40.5 secs Computing kpt #: 138 total cpu time spent up to now is 40.8 secs Computing kpt #: 139 total cpu time spent up to now is 41.3 secs Computing kpt #: 140 total cpu time spent up to now is 41.6 secs Computing kpt #: 141 total cpu time spent up to now is 41.8 secs Computing kpt #: 142 total cpu time spent up to now is 42.1 secs Computing kpt #: 143 total cpu time spent up to now is 42.3 secs Computing kpt #: 144 total cpu time spent up to now is 42.6 secs Computing kpt #: 145 total cpu time spent up to now is 42.8 secs Computing kpt #: 146 total cpu time spent up to now is 43.0 secs Computing kpt #: 147 total cpu time spent up to now is 43.2 secs Computing kpt #: 148 total cpu time spent up to now is 43.5 secs Computing kpt #: 149 total cpu time spent up to now is 43.7 secs Computing kpt #: 150 total cpu time spent up to now is 43.9 secs Computing kpt #: 151 total cpu time spent up to now is 44.2 secs Computing kpt #: 152 total cpu time spent up to now is 44.4 secs Computing kpt #: 153 total cpu time spent up to now is 44.6 secs Computing kpt #: 154 total cpu time spent up to now is 44.8 secs Computing kpt #: 155 total cpu time spent up to now is 45.0 secs Computing kpt #: 156 total cpu time spent up to now is 45.3 secs Computing kpt #: 157 total cpu time spent up to now is 46.0 secs Computing kpt #: 158 total cpu time spent up to now is 46.2 secs Computing kpt #: 159 total cpu time spent up to now is 46.4 secs Computing kpt #: 160 total cpu time spent up to now is 46.6 secs Computing kpt #: 161 total cpu time spent up to now is 46.8 secs Computing kpt #: 162 total cpu time spent up to now is 47.0 secs Computing kpt #: 163 total cpu time spent up to now is 47.3 secs Computing kpt #: 164 total cpu time spent up to now is 47.5 secs Computing kpt #: 165 total cpu time spent up to now is 47.7 secs Computing kpt #: 166 total cpu time spent up to now is 47.9 secs Computing kpt #: 167 total cpu time spent up to now is 48.2 secs Computing kpt #: 168 total cpu time spent up to now is 49.1 secs Computing kpt #: 169 total cpu time spent up to now is 49.5 secs Computing kpt #: 170 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 50.1 secs Computing kpt #: 171 total cpu time spent up to now is 50.5 secs Computing kpt #: 172 total cpu time spent up to now is 50.8 secs Computing kpt #: 173 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 51.4 secs Computing kpt #: 174 total cpu time spent up to now is 51.9 secs Computing kpt #: 175 total cpu time spent up to now is 52.4 secs Computing kpt #: 176 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 53.0 secs Computing kpt #: 177 total cpu time spent up to now is 53.3 secs Computing kpt #: 178 total cpu time spent up to now is 53.6 secs Computing kpt #: 179 total cpu time spent up to now is 53.9 secs Computing kpt #: 180 total cpu time spent up to now is 54.2 secs Computing kpt #: 181 total cpu time spent up to now is 54.5 secs Computing kpt #: 182 total cpu time spent up to now is 54.7 secs Computing kpt #: 183 total cpu time spent up to now is 54.9 secs Computing kpt #: 184 total cpu time spent up to now is 55.2 secs Computing kpt #: 185 total cpu time spent up to now is 55.4 secs Computing kpt #: 186 total cpu time spent up to now is 55.7 secs Computing kpt #: 187 total cpu time spent up to now is 56.2 secs Computing kpt #: 188 total cpu time spent up to now is 56.5 secs Computing kpt #: 189 total cpu time spent up to now is 56.8 secs Computing kpt #: 190 total cpu time spent up to now is 57.1 secs Computing kpt #: 191 total cpu time spent up to now is 57.4 secs Computing kpt #: 192 total cpu time spent up to now is 57.6 secs Computing kpt #: 193 total cpu time spent up to now is 57.8 secs Computing kpt #: 194 total cpu time spent up to now is 58.1 secs Computing kpt #: 195 total cpu time spent up to now is 58.4 secs Computing kpt #: 196 total cpu time spent up to now is 58.6 secs Computing kpt #: 197 total cpu time spent up to now is 58.8 secs Computing kpt #: 198 total cpu time spent up to now is 59.0 secs Computing kpt #: 199 total cpu time spent up to now is 59.3 secs Computing kpt #: 200 total cpu time spent up to now is 59.5 secs Computing kpt #: 201 total cpu time spent up to now is 59.6 secs Computing kpt #: 202 total cpu time spent up to now is 59.8 secs Computing kpt #: 203 total cpu time spent up to now is 60.0 secs Computing kpt #: 204 total cpu time spent up to now is 60.2 secs Computing kpt #: 205 total cpu time spent up to now is 60.4 secs Computing kpt #: 206 total cpu time spent up to now is 60.5 secs Computing kpt #: 207 total cpu time spent up to now is 60.7 secs Computing kpt #: 208 total cpu time spent up to now is 60.9 secs Computing kpt #: 209 total cpu time spent up to now is 61.1 secs Computing kpt #: 210 total cpu time spent up to now is 61.3 secs Computing kpt #: 211 total cpu time spent up to now is 61.5 secs Computing kpt #: 212 total cpu time spent up to now is 61.7 secs Computing kpt #: 213 total cpu time spent up to now is 61.9 secs Computing kpt #: 214 total cpu time spent up to now is 62.1 secs Computing kpt #: 215 total cpu time spent up to now is 62.3 secs Computing kpt #: 216 total cpu time spent up to now is 62.5 secs Computing kpt #: 217 total cpu time spent up to now is 62.8 secs Computing kpt #: 218 total cpu time spent up to now is 63.0 secs Computing kpt #: 219 total cpu time spent up to now is 63.2 secs Computing kpt #: 220 total cpu time spent up to now is 63.4 secs Computing kpt #: 221 total cpu time spent up to now is 63.6 secs Computing kpt #: 222 total cpu time spent up to now is 63.8 secs Computing kpt #: 223 total cpu time spent up to now is 64.0 secs Computing kpt #: 224 total cpu time spent up to now is 64.2 secs Computing kpt #: 225 total cpu time spent up to now is 64.4 secs Computing kpt #: 226 total cpu time spent up to now is 64.7 secs Computing kpt #: 227 total cpu time spent up to now is 64.9 secs Computing kpt #: 228 total cpu time spent up to now is 65.2 secs Computing kpt #: 229 total cpu time spent up to now is 65.5 secs Computing kpt #: 230 total cpu time spent up to now is 65.8 secs Computing kpt #: 231 total cpu time spent up to now is 66.1 secs Computing kpt #: 232 total cpu time spent up to now is 66.4 secs Computing kpt #: 233 total cpu time spent up to now is 66.7 secs Computing kpt #: 234 total cpu time spent up to now is 67.0 secs Computing kpt #: 235 total cpu time spent up to now is 67.3 secs Computing kpt #: 236 total cpu time spent up to now is 67.7 secs Computing kpt #: 237 total cpu time spent up to now is 67.9 secs Computing kpt #: 238 total cpu time spent up to now is 68.2 secs Computing kpt #: 239 total cpu time spent up to now is 68.5 secs Computing kpt #: 240 total cpu time spent up to now is 68.9 secs Computing kpt #: 241 total cpu time spent up to now is 69.2 secs Computing kpt #: 242 total cpu time spent up to now is 69.5 secs Computing kpt #: 243 total cpu time spent up to now is 69.8 secs Computing kpt #: 244 total cpu time spent up to now is 70.1 secs Computing kpt #: 245 total cpu time spent up to now is 70.4 secs Computing kpt #: 246 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 71.1 secs Computing kpt #: 247 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 71.8 secs Computing kpt #: 248 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 72.4 secs Computing kpt #: 249 total cpu time spent up to now is 73.0 secs Computing kpt #: 250 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 73.8 secs Computing kpt #: 251 total cpu time spent up to now is 74.2 secs Computing kpt #: 252 total cpu time spent up to now is 74.6 secs Computing kpt #: 253 total cpu time spent up to now is 75.0 secs Computing kpt #: 254 total cpu time spent up to now is 75.4 secs Computing kpt #: 255 total cpu time spent up to now is 75.8 secs Computing kpt #: 256 total cpu time spent up to now is 76.3 secs Computing kpt #: 257 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 76.9 secs Computing kpt #: 258 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 77.6 secs Computing kpt #: 259 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 78.3 secs Computing kpt #: 260 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 78.9 secs Computing kpt #: 261 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 79.6 secs Computing kpt #: 262 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 80.2 secs Computing kpt #: 263 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 80.9 secs Computing kpt #: 264 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 81.6 secs Computing kpt #: 265 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 82.3 secs Computing kpt #: 266 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 82.9 secs Computing kpt #: 267 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 83.8 secs Computing kpt #: 268 total cpu time spent up to now is 84.4 secs Computing kpt #: 269 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 85.1 secs Computing kpt #: 270 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 85.7 secs Computing kpt #: 271 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 86.4 secs Computing kpt #: 272 total cpu time spent up to now is 86.9 secs Computing kpt #: 273 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 87.5 secs Computing kpt #: 274 total cpu time spent up to now is 88.1 secs Computing kpt #: 275 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 88.7 secs Computing kpt #: 276 total cpu time spent up to now is 89.2 secs Computing kpt #: 277 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 89.9 secs Computing kpt #: 278 total cpu time spent up to now is 90.2 secs Computing kpt #: 279 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 90.9 secs Computing kpt #: 280 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 91.5 secs Computing kpt #: 281 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 92.2 secs Computing kpt #: 282 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 92.8 secs Computing kpt #: 283 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 93.5 secs Computing kpt #: 284 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 94.1 secs Computing kpt #: 285 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 94.7 secs Computing kpt #: 286 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 95.4 secs Computing kpt #: 287 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 96.0 secs Computing kpt #: 288 total cpu time spent up to now is 96.3 secs Computing kpt #: 289 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 96.9 secs Computing kpt #: 290 total cpu time spent up to now is 97.4 secs Computing kpt #: 291 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 98.0 secs Computing kpt #: 292 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 98.7 secs Computing kpt #: 293 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 99.3 secs Computing kpt #: 294 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 100.0 secs Computing kpt #: 295 total cpu time spent up to now is 100.5 secs Computing kpt #: 296 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 101.1 secs Computing kpt #: 297 total cpu time spent up to now is 101.7 secs Computing kpt #: 298 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 102.3 secs Computing kpt #: 299 total cpu time spent up to now is 102.7 secs Computing kpt #: 300 total cpu time spent up to now is 103.3 secs Computing kpt #: 301 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 103.9 secs Computing kpt #: 302 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 104.6 secs Computing kpt #: 303 total cpu time spent up to now is 104.9 secs Computing kpt #: 304 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 105.6 secs Computing kpt #: 305 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 106.2 secs Computing kpt #: 306 total cpu time spent up to now is 106.8 secs Computing kpt #: 307 total cpu time spent up to now is 107.1 secs Computing kpt #: 308 total cpu time spent up to now is 107.6 secs Computing kpt #: 309 total cpu time spent up to now is 108.1 secs Computing kpt #: 310 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 108.7 secs Computing kpt #: 311 total cpu time spent up to now is 108.9 secs Computing kpt #: 312 total cpu time spent up to now is 109.1 secs Computing kpt #: 313 total cpu time spent up to now is 109.4 secs Computing kpt #: 314 total cpu time spent up to now is 109.6 secs Computing kpt #: 315 total cpu time spent up to now is 109.8 secs Computing kpt #: 316 total cpu time spent up to now is 110.0 secs Computing kpt #: 317 total cpu time spent up to now is 110.3 secs Computing kpt #: 318 total cpu time spent up to now is 110.5 secs Computing kpt #: 319 total cpu time spent up to now is 110.7 secs Computing kpt #: 320 total cpu time spent up to now is 110.9 secs Computing kpt #: 321 total cpu time spent up to now is 111.1 secs Computing kpt #: 322 total cpu time spent up to now is 111.3 secs Computing kpt #: 323 total cpu time spent up to now is 111.4 secs Computing kpt #: 324 total cpu time spent up to now is 111.6 secs Computing kpt #: 325 total cpu time spent up to now is 111.8 secs Computing kpt #: 326 total cpu time spent up to now is 112.0 secs Computing kpt #: 327 total cpu time spent up to now is 112.2 secs Computing kpt #: 328 total cpu time spent up to now is 112.5 secs Computing kpt #: 329 total cpu time spent up to now is 112.7 secs Computing kpt #: 330 total cpu time spent up to now is 113.0 secs Computing kpt #: 331 total cpu time spent up to now is 113.4 secs Computing kpt #: 332 total cpu time spent up to now is 113.7 secs Computing kpt #: 333 total cpu time spent up to now is 114.0 secs Computing kpt #: 334 total cpu time spent up to now is 114.3 secs Computing kpt #: 335 total cpu time spent up to now is 114.7 secs Computing kpt #: 336 total cpu time spent up to now is 115.1 secs Computing kpt #: 337 total cpu time spent up to now is 115.4 secs Computing kpt #: 338 total cpu time spent up to now is 115.6 secs Computing kpt #: 339 total cpu time spent up to now is 115.9 secs Computing kpt #: 340 total cpu time spent up to now is 116.2 secs Computing kpt #: 341 total cpu time spent up to now is 116.5 secs Computing kpt #: 342 total cpu time spent up to now is 116.8 secs Computing kpt #: 343 total cpu time spent up to now is 117.0 secs Computing kpt #: 344 total cpu time spent up to now is 117.2 secs Computing kpt #: 345 total cpu time spent up to now is 117.5 secs Computing kpt #: 346 total cpu time spent up to now is 117.7 secs Computing kpt #: 347 total cpu time spent up to now is 117.9 secs Computing kpt #: 348 total cpu time spent up to now is 118.1 secs Computing kpt #: 349 total cpu time spent up to now is 118.3 secs Computing kpt #: 350 total cpu time spent up to now is 118.6 secs Computing kpt #: 351 total cpu time spent up to now is 118.8 secs Computing kpt #: 352 total cpu time spent up to now is 119.0 secs Computing kpt #: 353 total cpu time spent up to now is 119.3 secs Computing kpt #: 354 total cpu time spent up to now is 119.5 secs Computing kpt #: 355 total cpu time spent up to now is 119.8 secs Computing kpt #: 356 total cpu time spent up to now is 120.0 secs Computing kpt #: 357 total cpu time spent up to now is 120.2 secs Computing kpt #: 358 total cpu time spent up to now is 120.5 secs Computing kpt #: 359 total cpu time spent up to now is 120.7 secs Computing kpt #: 360 total cpu time spent up to now is 120.9 secs Computing kpt #: 361 total cpu time spent up to now is 121.1 secs Computing kpt #: 362 total cpu time spent up to now is 121.3 secs Computing kpt #: 363 total cpu time spent up to now is 121.5 secs Computing kpt #: 364 total cpu time spent up to now is 121.8 secs Computing kpt #: 365 total cpu time spent up to now is 122.0 secs Computing kpt #: 366 total cpu time spent up to now is 122.2 secs Computing kpt #: 367 total cpu time spent up to now is 122.4 secs Computing kpt #: 368 total cpu time spent up to now is 122.6 secs Computing kpt #: 369 total cpu time spent up to now is 122.8 secs Computing kpt #: 370 total cpu time spent up to now is 123.0 secs Computing kpt #: 371 total cpu time spent up to now is 123.2 secs Computing kpt #: 372 total cpu time spent up to now is 123.4 secs Computing kpt #: 373 total cpu time spent up to now is 123.6 secs Computing kpt #: 374 total cpu time spent up to now is 123.7 secs Computing kpt #: 375 total cpu time spent up to now is 124.1 secs Computing kpt #: 376 total cpu time spent up to now is 124.2 secs Computing kpt #: 377 total cpu time spent up to now is 124.4 secs Computing kpt #: 378 total cpu time spent up to now is 124.6 secs Computing kpt #: 379 total cpu time spent up to now is 124.8 secs Computing kpt #: 380 total cpu time spent up to now is 124.9 secs Computing kpt #: 381 total cpu time spent up to now is 125.1 secs Computing kpt #: 382 total cpu time spent up to now is 125.3 secs Computing kpt #: 383 total cpu time spent up to now is 125.4 secs Computing kpt #: 384 total cpu time spent up to now is 125.6 secs Computing kpt #: 385 total cpu time spent up to now is 125.8 secs Computing kpt #: 386 total cpu time spent up to now is 126.0 secs Computing kpt #: 387 total cpu time spent up to now is 126.2 secs Computing kpt #: 388 total cpu time spent up to now is 126.4 secs Computing kpt #: 389 total cpu time spent up to now is 126.6 secs Computing kpt #: 390 total cpu time spent up to now is 126.8 secs Computing kpt #: 391 total cpu time spent up to now is 127.0 secs Computing kpt #: 392 total cpu time spent up to now is 127.1 secs Computing kpt #: 393 total cpu time spent up to now is 127.3 secs Computing kpt #: 394 total cpu time spent up to now is 127.5 secs Computing kpt #: 395 total cpu time spent up to now is 127.7 secs Computing kpt #: 396 total cpu time spent up to now is 127.9 secs Computing kpt #: 397 total cpu time spent up to now is 128.1 secs Computing kpt #: 398 total cpu time spent up to now is 128.4 secs Computing kpt #: 399 total cpu time spent up to now is 128.7 secs Computing kpt #: 400 total cpu time spent up to now is 129.0 secs Computing kpt #: 401 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 129.7 secs ethr = 4.55E-08, avg # of iterations = 43.8 total cpu time spent up to now is 129.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2045 PWs) bands (ev): -40.3828 -40.3828 -40.3219 -40.3219 -19.3551 -19.3551 -19.1416 -19.1416 -18.8575 -18.8575 -18.6892 -18.6892 -18.6319 -18.6319 -18.6206 -18.6206 3.9937 3.9937 7.4437 7.4437 9.4952 9.4952 10.6793 10.6793 10.7019 10.7019 10.8027 10.8027 11.0834 11.0834 k = 0.0091 0.0052-0.0000 ( 2053 PWs) bands (ev): -40.3828 -40.3828 -40.3219 -40.3219 -19.3551 -19.3551 -19.1418 -19.1418 -18.8576 -18.8576 -18.6894 -18.6894 -18.6321 -18.6321 -18.6207 -18.6207 3.9955 3.9955 7.4452 7.4452 9.4937 9.4937 10.6754 10.6754 10.6992 10.6992 10.8096 10.8096 11.0833 11.0833 k = 0.0182 0.0105-0.0000 ( 2057 PWs) bands (ev): -40.3827 -40.3827 -40.3219 -40.3219 -19.3550 -19.3550 -19.1421 -19.1421 -18.8578 -18.8578 -18.6898 -18.6898 -18.6325 -18.6325 -18.6209 -18.6209 4.0009 4.0009 7.4499 7.4499 9.4893 9.4893 10.6601 10.6601 10.6987 10.6987 10.8264 10.8264 11.0824 11.0824 k = 0.0273 0.0157-0.0000 ( 2061 PWs) bands (ev): -40.3825 -40.3825 -40.3218 -40.3218 -19.3549 -19.3549 -19.1427 -19.1427 -18.8580 -18.8580 -18.6904 -18.6904 -18.6333 -18.6333 -18.6212 -18.6212 4.0100 4.0100 7.4576 7.4576 9.4822 9.4822 10.6355 10.6355 10.7036 10.7036 10.8477 10.8477 11.0793 11.0793 k = 0.0364 0.0210-0.0000 ( 2061 PWs) bands (ev): -40.3822 -40.3822 -40.3217 -40.3217 -19.3548 -19.3548 -19.1434 -19.1434 -18.8584 -18.8584 -18.6914 -18.6914 -18.6343 -18.6343 -18.6217 -18.6217 4.0226 4.0226 7.4685 7.4685 9.4723 9.4723 10.6063 10.6063 10.7120 10.7120 10.8708 10.8708 11.0730 11.0730 k = 0.0455 0.0262-0.0000 ( 2061 PWs) bands (ev): -40.3819 -40.3819 -40.3215 -40.3215 -19.3546 -19.3546 -19.1444 -19.1444 -18.8588 -18.8588 -18.6925 -18.6925 -18.6357 -18.6357 -18.6222 -18.6222 4.0388 4.0388 7.4824 7.4824 9.4599 9.4599 10.5742 10.5742 10.7233 10.7233 10.8945 10.8945 11.0639 11.0639 k = 0.0545 0.0315-0.0000 ( 2061 PWs) bands (ev): -40.3815 -40.3815 -40.3214 -40.3214 -19.3543 -19.3543 -19.1457 -19.1457 -18.8593 -18.8593 -18.6939 -18.6939 -18.6374 -18.6374 -18.6229 -18.6229 4.0585 4.0585 7.4994 7.4994 9.4449 9.4449 10.5399 10.5399 10.7374 10.7374 10.9182 10.9182 11.0526 11.0526 k = 0.0636 0.0367-0.0000 ( 2055 PWs) bands (ev): -40.3810 -40.3810 -40.3212 -40.3212 -19.3540 -19.3540 -19.1471 -19.1471 -18.8598 -18.8598 -18.6954 -18.6954 -18.6394 -18.6394 -18.6236 -18.6236 4.0819 4.0819 7.5193 7.5193 9.4276 9.4276 10.5036 10.5036 10.7541 10.7541 10.9409 10.9409 11.0403 11.0403 k = 0.0727 0.0420-0.0000 ( 2061 PWs) bands (ev): -40.3804 -40.3804 -40.3209 -40.3209 -19.3537 -19.3537 -19.1487 -19.1487 -18.8605 -18.8605 -18.6973 -18.6973 -18.6418 -18.6418 -18.6244 -18.6244 4.1087 4.1087 7.5421 7.5421 9.4081 9.4081 10.4656 10.4656 10.7733 10.7733 10.9601 10.9601 11.0295 11.0295 k = 0.0818 0.0472-0.0000 ( 2063 PWs) bands (ev): -40.3798 -40.3798 -40.3207 -40.3207 -19.3533 -19.3533 -19.1506 -19.1506 -18.8612 -18.8612 -18.6993 -18.6993 -18.6445 -18.6445 -18.6253 -18.6253 4.1390 4.1390 7.5677 7.5677 9.3865 9.3865 10.4261 10.4261 10.7951 10.7951 10.9683 10.9683 11.0281 11.0281 k = 0.0909 0.0525-0.0000 ( 2061 PWs) bands (ev): -40.3791 -40.3791 -40.3204 -40.3204 -19.3529 -19.3529 -19.1527 -19.1527 -18.8620 -18.8620 -18.7015 -18.7015 -18.6475 -18.6475 -18.6262 -18.6262 4.1728 4.1728 7.5960 7.5960 9.3632 9.3632 10.3851 10.3851 10.8193 10.8194 10.9596 10.9596 11.0423 11.0423 k = 0.1000 0.0577-0.0000 ( 2067 PWs) bands (ev): -40.3784 -40.3784 -40.3201 -40.3201 -19.3525 -19.3525 -19.1550 -19.1550 -18.8629 -18.8629 -18.7039 -18.7039 -18.6508 -18.6508 -18.6272 -18.6272 4.2099 4.2099 7.6268 7.6268 9.3382 9.3382 10.3427 10.3427 10.8460 10.8460 10.9413 10.9413 11.0647 11.0648 k = 0.1091 0.0630-0.0000 ( 2067 PWs) bands (ev): -40.3775 -40.3775 -40.3198 -40.3198 -19.3521 -19.3521 -19.1575 -19.1575 -18.8638 -18.8638 -18.7065 -18.7065 -18.6544 -18.6544 -18.6283 -18.6283 4.2505 4.2505 7.6601 7.6601 9.3118 9.3118 10.2990 10.2990 10.8751 10.8751 10.9189 10.9189 11.0904 11.0904 k = 0.1182 0.0682-0.0000 ( 2065 PWs) bands (ev): -40.3767 -40.3767 -40.3194 -40.3194 -19.3516 -19.3516 -19.1602 -19.1602 -18.8648 -18.8648 -18.7092 -18.7092 -18.6583 -18.6583 -18.6294 -18.6294 4.2944 4.2944 7.6958 7.6958 9.2842 9.2842 10.2541 10.2541 10.8941 10.8941 10.9068 10.9068 11.1176 11.1176 k = 0.1273 0.0735-0.0000 ( 2071 PWs) bands (ev): -40.3757 -40.3757 -40.3191 -40.3191 -19.3512 -19.3512 -19.1631 -19.1631 -18.8659 -18.8659 -18.7121 -18.7121 -18.6624 -18.6624 -18.6306 -18.6306 4.3415 4.3415 7.7335 7.7335 9.2556 9.2556 10.2081 10.2081 10.8678 10.8678 10.9405 10.9405 11.1453 11.1453 k = 0.1364 0.0787-0.0000 ( 2073 PWs) bands (ev): -40.3747 -40.3747 -40.3187 -40.3187 -19.3507 -19.3507 -19.1662 -19.1662 -18.8669 -18.8669 -18.7151 -18.7151 -18.6667 -18.6667 -18.6319 -18.6319 4.3919 4.3919 7.7733 7.7733 9.2260 9.2260 10.1614 10.1614 10.8403 10.8403 10.9766 10.9766 11.1651 11.1652 k = 0.1455 0.0840-0.0000 ( 2073 PWs) bands (ev): -40.3736 -40.3736 -40.3183 -40.3183 -19.3503 -19.3503 -19.1695 -19.1695 -18.8680 -18.8680 -18.7182 -18.7182 -18.6713 -18.6713 -18.6332 -18.6332 4.4454 4.4454 7.8149 7.8149 9.1958 9.1958 10.1138 10.1138 10.8120 10.8120 11.0150 11.0150 11.1451 11.1451 k = 0.1545 0.0892-0.0000 ( 2073 PWs) bands (ev): -40.3725 -40.3725 -40.3179 -40.3179 -19.3498 -19.3498 -19.1730 -19.1730 -18.8692 -18.8692 -18.7214 -18.7214 -18.6760 -18.6760 -18.6346 -18.6346 4.5020 4.5020 7.8579 7.8579 9.1650 9.1650 10.0655 10.0655 10.7831 10.7831 11.0555 11.0555 11.1164 11.1165 k = 0.1636 0.0945-0.0000 ( 2078 PWs) bands (ev): -40.3714 -40.3714 -40.3174 -40.3174 -19.3494 -19.3494 -19.1766 -19.1766 -18.8703 -18.8703 -18.7247 -18.7247 -18.6809 -18.6809 -18.6361 -18.6361 4.5617 4.5617 7.9023 7.9023 9.1338 9.1338 10.0168 10.0168 10.7540 10.7540 11.0859 11.0859 11.0987 11.0987 k = 0.1727 0.0997-0.0000 ( 2082 PWs) bands (ev): -40.3702 -40.3702 -40.3170 -40.3170 -19.3490 -19.3490 -19.1805 -19.1805 -18.8715 -18.8715 -18.7281 -18.7281 -18.6861 -18.6861 -18.6376 -18.6376 4.6243 4.6243 7.9477 7.9477 9.1024 9.1024 9.9677 9.9677 10.7249 10.7249 11.0559 11.0559 11.1357 11.1385 k = 0.1818 0.1050-0.0000 ( 2086 PWs) bands (ev): -40.3689 -40.3689 -40.3166 -40.3166 -19.3486 -19.3486 -19.1845 -19.1845 -18.8726 -18.8726 -18.7314 -18.7314 -18.6913 -18.6913 -18.6392 -18.6392 4.6898 4.6898 7.9939 7.9939 9.0708 9.0708 9.9185 9.9185 10.6962 10.6962 11.0251 11.0251 11.1095 11.1095 k = 0.1909 0.1102-0.0000 ( 2082 PWs) bands (ev): -40.3676 -40.3676 -40.3161 -40.3161 -19.3482 -19.3482 -19.1886 -19.1886 -18.8738 -18.8738 -18.7348 -18.7348 -18.6966 -18.6966 -18.6408 -18.6408 4.7580 4.7580 8.0404 8.0404 9.0393 9.0393 9.8693 9.8693 10.6681 10.6681 10.9942 10.9942 11.0827 11.0827 k = 0.2000 0.1155-0.0000 ( 2082 PWs) bands (ev): -40.3663 -40.3663 -40.3157 -40.3157 -19.3479 -19.3479 -19.1929 -19.1929 -18.8749 -18.8749 -18.7382 -18.7382 -18.7021 -18.7021 -18.6425 -18.6425 4.8290 4.8290 8.0869 8.0869 9.0080 9.0080 9.8202 9.8202 10.6409 10.6409 10.9630 10.9630 11.0557 11.0557 k = 0.2091 0.1207-0.0000 ( 2082 PWs) bands (ev): -40.3650 -40.3650 -40.3152 -40.3152 -19.3476 -19.3476 -19.1973 -19.1973 -18.8759 -18.8759 -18.7416 -18.7416 -18.7076 -18.7076 -18.6442 -18.6442 4.9026 4.9026 8.1331 8.1331 8.9769 8.9769 9.7714 9.7714 10.6150 10.6150 10.9318 10.9318 11.0287 11.0287 k = 0.2182 0.1260-0.0000 ( 2082 PWs) bands (ev): -40.3636 -40.3636 -40.3148 -40.3148 -19.3473 -19.3473 -19.2019 -19.2019 -18.8770 -18.8770 -18.7450 -18.7450 -18.7131 -18.7131 -18.6460 -18.6460 4.9786 4.9786 8.1784 8.1784 8.9461 8.9461 9.7230 9.7230 10.5908 10.5908 10.9006 10.9006 11.0019 11.0019 k = 0.2273 0.1312-0.0000 ( 2080 PWs) bands (ev): -40.3622 -40.3622 -40.3143 -40.3143 -19.3471 -19.3471 -19.2065 -19.2065 -18.8780 -18.8780 -18.7483 -18.7483 -18.7187 -18.7187 -18.6478 -18.6478 5.0571 5.0571 8.2225 8.2225 8.9157 8.9157 9.6752 9.6752 10.5685 10.5685 10.8695 10.8695 10.9751 10.9751 k = 0.2364 0.1365-0.0000 ( 2088 PWs) bands (ev): -40.3607 -40.3607 -40.3139 -40.3139 -19.3470 -19.3470 -19.2114 -19.2114 -18.8789 -18.8789 -18.7516 -18.7516 -18.7244 -18.7244 -18.6497 -18.6497 5.1379 5.1379 8.2649 8.2649 8.8859 8.8859 9.6281 9.6281 10.5485 10.5485 10.8385 10.8385 10.9486 10.9486 k = 0.2455 0.1417-0.0000 ( 2086 PWs) bands (ev): -40.3593 -40.3593 -40.3134 -40.3134 -19.3468 -19.3468 -19.2162 -19.2162 -18.8798 -18.8798 -18.7549 -18.7549 -18.7300 -18.7300 -18.6516 -18.6516 5.2208 5.2208 8.3050 8.3050 8.8566 8.8566 9.5818 9.5818 10.5312 10.5312 10.8078 10.8078 10.9224 10.9224 k = 0.2545 0.1470-0.0000 ( 2082 PWs) bands (ev): -40.3578 -40.3578 -40.3130 -40.3130 -19.3468 -19.3468 -19.2211 -19.2211 -18.8806 -18.8806 -18.7580 -18.7580 -18.7356 -18.7356 -18.6536 -18.6536 5.3058 5.3058 8.3425 8.3425 8.8280 8.8280 9.5365 9.5365 10.5169 10.5169 10.7774 10.7774 10.8966 10.8966 k = 0.2636 0.1522-0.0000 ( 2080 PWs) bands (ev): -40.3563 -40.3563 -40.3126 -40.3126 -19.3467 -19.3467 -19.2262 -19.2262 -18.8813 -18.8813 -18.7611 -18.7611 -18.7412 -18.7412 -18.6556 -18.6556 5.3927 5.3927 8.3767 8.3767 8.8001 8.8001 9.4923 9.4923 10.5058 10.5058 10.7475 10.7475 10.8713 10.8713 k = 0.2727 0.1575-0.0000 ( 2080 PWs) bands (ev): -40.3548 -40.3548 -40.3122 -40.3122 -19.3467 -19.3467 -19.2312 -19.2312 -18.8819 -18.8819 -18.7642 -18.7642 -18.7467 -18.7467 -18.6576 -18.6576 5.4814 5.4814 8.4072 8.4072 8.7730 8.7730 9.4492 9.4492 10.4983 10.4983 10.7179 10.7179 10.8464 10.8464 k = 0.2818 0.1627-0.0000 ( 2080 PWs) bands (ev): -40.3534 -40.3534 -40.3118 -40.3118 -19.3468 -19.3468 -19.2363 -19.2363 -18.8824 -18.8824 -18.7672 -18.7672 -18.7521 -18.7521 -18.6596 -18.6596 5.5717 5.5717 8.4337 8.4337 8.7466 8.7466 9.4072 9.4072 10.4945 10.4945 10.6888 10.6888 10.8221 10.8221 k = 0.2909 0.1680-0.0000 ( 2080 PWs) bands (ev): -40.3519 -40.3519 -40.3115 -40.3115 -19.3469 -19.3469 -19.2414 -19.2414 -18.8829 -18.8829 -18.7701 -18.7701 -18.7574 -18.7574 -18.6616 -18.6616 5.6635 5.6635 8.4557 8.4557 8.7212 8.7212 9.3665 9.3665 10.4945 10.4945 10.6604 10.6604 10.7985 10.7985 k = 0.3000 0.1732-0.0000 ( 2074 PWs) bands (ev): -40.3504 -40.3504 -40.3111 -40.3111 -19.3470 -19.3470 -19.2464 -19.2464 -18.8832 -18.8832 -18.7731 -18.7731 -18.7625 -18.7625 -18.6636 -18.6636 5.7566 5.7566 8.4732 8.4732 8.6966 8.6966 9.3269 9.3269 10.4984 10.4984 10.6326 10.6326 10.7755 10.7755 k = 0.3091 0.1785-0.0000 ( 2070 PWs) bands (ev): -40.3489 -40.3489 -40.3108 -40.3108 -19.3471 -19.3471 -19.2515 -19.2515 -18.8834 -18.8834 -18.7761 -18.7761 -18.7674 -18.7674 -18.6656 -18.6656 5.8508 5.8508 8.4859 8.4859 8.6730 8.6730 9.2886 9.2886 10.5061 10.5061 10.6056 10.6056 10.7532 10.7532 k = 0.3182 0.1837-0.0000 ( 2066 PWs) bands (ev): -40.3475 -40.3475 -40.3105 -40.3105 -19.3473 -19.3473 -19.2565 -19.2565 -18.8835 -18.8835 -18.7793 -18.7793 -18.7718 -18.7718 -18.6676 -18.6676 5.9459 5.9459 8.4938 8.4938 8.6502 8.6502 9.2514 9.2514 10.5172 10.5172 10.5793 10.5793 10.7317 10.7317 k = 0.3273 0.1890-0.0000 ( 2070 PWs) bands (ev): -40.3460 -40.3460 -40.3103 -40.3103 -19.3475 -19.3475 -19.2615 -19.2615 -18.8836 -18.8836 -18.7828 -18.7828 -18.7756 -18.7756 -18.6696 -18.6696 6.0418 6.0418 8.4971 8.4971 8.6285 8.6285 9.2154 9.2154 10.5314 10.5314 10.5542 10.5542 10.7110 10.7110 k = 0.3364 0.1942-0.0000 ( 2070 PWs) bands (ev): -40.3446 -40.3446 -40.3100 -40.3100 -19.3477 -19.3477 -19.2664 -19.2664 -18.8835 -18.8835 -18.7868 -18.7868 -18.7788 -18.7788 -18.6715 -18.6715 6.1381 6.1381 8.4960 8.4960 8.6078 8.6078 9.1803 9.1803 10.5284 10.5284 10.5500 10.5500 10.6912 10.6912 k = 0.3455 0.1994-0.0000 ( 2074 PWs) bands (ev): -40.3432 -40.3432 -40.3098 -40.3098 -19.3479 -19.3479 -19.2713 -19.2713 -18.8833 -18.8833 -18.7911 -18.7911 -18.7814 -18.7814 -18.6735 -18.6735 6.2348 6.2348 8.4906 8.4906 8.5882 8.5882 9.1463 9.1463 10.5052 10.5052 10.5692 10.5692 10.6724 10.6724 k = 0.3545 0.2047-0.0000 ( 2078 PWs) bands (ev): -40.3419 -40.3419 -40.3096 -40.3096 -19.3481 -19.3481 -19.2761 -19.2761 -18.8830 -18.8830 -18.7954 -18.7954 -18.7837 -18.7837 -18.6754 -18.6754 6.3316 6.3316 8.4812 8.4812 8.5695 8.5695 9.1132 9.1132 10.4827 10.4827 10.5904 10.5904 10.6548 10.6548 k = 0.3636 0.2099-0.0000 ( 2084 PWs) bands (ev): -40.3406 -40.3406 -40.3095 -40.3095 -19.3483 -19.3483 -19.2808 -19.2808 -18.8825 -18.8825 -18.7998 -18.7998 -18.7857 -18.7857 -18.6773 -18.6773 6.4281 6.4281 8.4682 8.4682 8.5520 8.5520 9.0810 9.0810 10.4612 10.4612 10.6114 10.6114 10.6398 10.6398 k = 0.3727 0.2152-0.0000 ( 2080 PWs) bands (ev): -40.3393 -40.3393 -40.3094 -40.3094 -19.3484 -19.3484 -19.2852 -19.2852 -18.8820 -18.8820 -18.8040 -18.8040 -18.7875 -18.7875 -18.6791 -18.6791 6.5242 6.5242 8.4518 8.4518 8.5356 8.5356 9.0500 9.0500 10.4409 10.4409 10.6159 10.6159 10.6430 10.6430 k = 0.3818 0.2204-0.0000 ( 2072 PWs) bands (ev): -40.3381 -40.3381 -40.3093 -40.3093 -19.3484 -19.3484 -19.2896 -19.2896 -18.8813 -18.8813 -18.8082 -18.8082 -18.7890 -18.7890 -18.6808 -18.6808 6.6195 6.6195 8.4323 8.4323 8.5204 8.5204 9.0198 9.0198 10.4217 10.4217 10.6031 10.6031 10.6649 10.6649 k = 0.3909 0.2257-0.0000 ( 2072 PWs) bands (ev): -40.3369 -40.3369 -40.3092 -40.3092 -19.3484 -19.3484 -19.2938 -19.2938 -18.8805 -18.8805 -18.8122 -18.8122 -18.7905 -18.7905 -18.6824 -18.6824 6.7138 6.7138 8.4099 8.4099 8.5062 8.5062 8.9907 8.9907 10.4038 10.4038 10.5895 10.5895 10.6884 10.6884 k = 0.4000 0.2309-0.0000 ( 2072 PWs) bands (ev): -40.3358 -40.3358 -40.3091 -40.3091 -19.3484 -19.3484 -19.2979 -19.2979 -18.8797 -18.8797 -18.8160 -18.8160 -18.7917 -18.7917 -18.6840 -18.6840 6.8066 6.8066 8.3848 8.3848 8.4931 8.4931 8.9628 8.9628 10.3871 10.3871 10.5766 10.5766 10.7115 10.7115 k = 0.4091 0.2362-0.0000 ( 2074 PWs) bands (ev): -40.3348 -40.3348 -40.3091 -40.3091 -19.3483 -19.3483 -19.3017 -19.3017 -18.8788 -18.8788 -18.8197 -18.8197 -18.7929 -18.7929 -18.6854 -18.6854 6.8976 6.8976 8.3571 8.3571 8.4811 8.4811 8.9363 8.9363 10.3717 10.3717 10.5647 10.5647 10.7337 10.7337 k = 0.4182 0.2414-0.0000 ( 2070 PWs) bands (ev): -40.3338 -40.3338 -40.3091 -40.3091 -19.3481 -19.3481 -19.3053 -19.3053 -18.8778 -18.8778 -18.8231 -18.8231 -18.7939 -18.7939 -18.6868 -18.6868 6.9864 6.9864 8.3273 8.3273 8.4702 8.4702 8.9115 8.9115 10.3576 10.3576 10.5538 10.5538 10.7545 10.7545 k = 0.4273 0.2467-0.0000 ( 2070 PWs) bands (ev): -40.3329 -40.3329 -40.3091 -40.3091 -19.3479 -19.3479 -19.3087 -19.3087 -18.8768 -18.8768 -18.8264 -18.8264 -18.7948 -18.7948 -18.6880 -18.6880 7.0723 7.0723 8.2951 8.2951 8.4605 8.4605 8.8886 8.8886 10.3450 10.3450 10.5440 10.5440 10.7736 10.7736 k = 0.4364 0.2519-0.0000 ( 2076 PWs) bands (ev): -40.3321 -40.3321 -40.3092 -40.3092 -19.3476 -19.3476 -19.3119 -19.3119 -18.8758 -18.8758 -18.8295 -18.8295 -18.7955 -18.7955 -18.6891 -18.6891 7.1546 7.1546 8.2610 8.2610 8.4519 8.4519 8.8677 8.8677 10.3337 10.3337 10.5352 10.5352 10.7908 10.7908 k = 0.4455 0.2572-0.0000 ( 2080 PWs) bands (ev): -40.3314 -40.3314 -40.3092 -40.3092 -19.3472 -19.3472 -19.3148 -19.3148 -18.8747 -18.8747 -18.8322 -18.8322 -18.7962 -18.7962 -18.6901 -18.6901 7.2328 7.2328 8.2256 8.2256 8.4445 8.4445 8.8492 8.8492 10.3239 10.3239 10.5276 10.5276 10.8060 10.8060 k = 0.4545 0.2624-0.0000 ( 2080 PWs) bands (ev): -40.3307 -40.3307 -40.3092 -40.3092 -19.3468 -19.3468 -19.3173 -19.3173 -18.8737 -18.8737 -18.8347 -18.8347 -18.7968 -18.7968 -18.6910 -18.6910 7.3057 7.3057 8.1895 8.1895 8.4382 8.4382 8.8331 8.8331 10.3156 10.3156 10.5212 10.5212 10.8189 10.8189 k = 0.4636 0.2677-0.0000 ( 2080 PWs) bands (ev): -40.3302 -40.3302 -40.3093 -40.3093 -19.3463 -19.3463 -19.3195 -19.3195 -18.8727 -18.8727 -18.8369 -18.8369 -18.7972 -18.7972 -18.6917 -18.6917 7.3717 7.3717 8.1541 8.1541 8.4330 8.4330 8.8198 8.8198 10.3087 10.3087 10.5159 10.5159 10.8296 10.8296 k = 0.4727 0.2729-0.0000 ( 2078 PWs) bands (ev): -40.3298 -40.3298 -40.3093 -40.3093 -19.3459 -19.3459 -19.3213 -19.3213 -18.8718 -18.8718 -18.8387 -18.8387 -18.7975 -18.7975 -18.6922 -18.6922 7.4287 7.4287 8.1211 8.1211 8.4290 8.4290 8.8093 8.8093 10.3034 10.3034 10.5118 10.5118 10.8380 10.8380 k = 0.4818 0.2782-0.0000 ( 2084 PWs) bands (ev): -40.3295 -40.3295 -40.3093 -40.3093 -19.3456 -19.3456 -19.3227 -19.3227 -18.8712 -18.8712 -18.8400 -18.8400 -18.7978 -18.7978 -18.6927 -18.6927 7.4737 7.4737 8.0934 8.0934 8.4261 8.4261 8.8017 8.8017 10.2995 10.2995 10.5088 10.5088 10.8440 10.8440 k = 0.4909 0.2834-0.0000 ( 2080 PWs) bands (ev): -40.3293 -40.3293 -40.3094 -40.3094 -19.3453 -19.3453 -19.3236 -19.3236 -18.8707 -18.8707 -18.8409 -18.8409 -18.7979 -18.7979 -18.6929 -18.6929 7.5030 7.5030 8.0745 8.0745 8.4244 8.4244 8.7972 8.7972 10.2972 10.2972 10.5071 10.5071 10.8476 10.8476 k = 0.5000 0.2887-0.0000 ( 2076 PWs) bands (ev): -40.3293 -40.3293 -40.3094 -40.3094 -19.3452 -19.3452 -19.3238 -19.3238 -18.8705 -18.8705 -18.8411 -18.8411 -18.7980 -18.7980 -18.6930 -18.6930 7.5134 7.5134 8.0679 8.0679 8.4239 8.4239 8.7957 8.7957 10.2964 10.2964 10.5064 10.5064 10.8488 10.8488 k = 0.5000 0.2887-0.0000 ( 2076 PWs) bands (ev): -40.3293 -40.3293 -40.3094 -40.3094 -19.3452 -19.3452 -19.3238 -19.3238 -18.8705 -18.8705 -18.8411 -18.8411 -18.7980 -18.7980 -18.6930 -18.6930 7.5134 7.5134 8.0679 8.0679 8.4239 8.4239 8.7957 8.7957 10.2964 10.2964 10.5064 10.5064 10.8488 10.8488 k = 0.4948 0.2977-0.0000 ( 2078 PWs) bands (ev): -40.3292 -40.3292 -40.3094 -40.3094 -19.3452 -19.3452 -19.3238 -19.3238 -18.8704 -18.8704 -18.8412 -18.8412 -18.7981 -18.7981 -18.6931 -18.6931 7.5148 7.5148 8.0689 8.0689 8.4244 8.4244 8.7952 8.7952 10.2961 10.2961 10.5053 10.5053 10.8491 10.8491 k = 0.4896 0.3067-0.0000 ( 2080 PWs) bands (ev): -40.3292 -40.3292 -40.3094 -40.3094 -19.3451 -19.3451 -19.3238 -19.3238 -18.8702 -18.8702 -18.8412 -18.8412 -18.7984 -18.7984 -18.6935 -18.6935 7.5190 7.5190 8.0721 8.0721 8.4259 8.4259 8.7938 8.7938 10.2951 10.2951 10.5020 10.5020 10.8503 10.8503 k = 0.4844 0.3157-0.0000 ( 2082 PWs) bands (ev): -40.3291 -40.3291 -40.3094 -40.3094 -19.3450 -19.3450 -19.3238 -19.3238 -18.8699 -18.8699 -18.8414 -18.8414 -18.7988 -18.7988 -18.6942 -18.6942 7.5258 7.5258 8.0775 8.0775 8.4283 8.4283 8.7917 8.7917 10.2935 10.2935 10.4966 10.4966 10.8521 10.8521 k = 0.4792 0.3248-0.0000 ( 2086 PWs) bands (ev): -40.3289 -40.3289 -40.3094 -40.3094 -19.3450 -19.3450 -19.3238 -19.3238 -18.8694 -18.8694 -18.8416 -18.8416 -18.7994 -18.7994 -18.6952 -18.6952 7.5354 7.5354 8.0849 8.0849 8.4317 8.4317 8.7888 8.7888 10.2913 10.2913 10.4890 10.4890 10.8547 10.8547 k = 0.4740 0.3338-0.0000 ( 2090 PWs) bands (ev): -40.3288 -40.3288 -40.3094 -40.3094 -19.3448 -19.3448 -19.3238 -19.3238 -18.8688 -18.8688 -18.8419 -18.8419 -18.8002 -18.8002 -18.6964 -18.6964 7.5477 7.5477 8.0945 8.0945 8.4361 8.4361 8.7851 8.7851 10.2885 10.2885 10.4792 10.4792 10.8580 10.8580 k = 0.4688 0.3428-0.0000 ( 2086 PWs) bands (ev): -40.3286 -40.3286 -40.3094 -40.3094 -19.3446 -19.3446 -19.3237 -19.3237 -18.8681 -18.8681 -18.8421 -18.8421 -18.8011 -18.8011 -18.6979 -18.6979 7.5627 7.5627 8.1060 8.1060 8.4414 8.4414 8.7807 8.7807 10.2851 10.2851 10.4676 10.4676 10.8620 10.8620 k = 0.4635 0.3518-0.0000 ( 2086 PWs) bands (ev): -40.3283 -40.3283 -40.3095 -40.3095 -19.3444 -19.3444 -19.3237 -19.3237 -18.8672 -18.8672 -18.8425 -18.8425 -18.8021 -18.8021 -18.6996 -18.6996 7.5802 7.5802 8.1194 8.1194 8.4475 8.4475 8.7756 8.7756 10.2811 10.2811 10.4542 10.4542 10.8668 10.8668 k = 0.4583 0.3608-0.0000 ( 2084 PWs) bands (ev): -40.3280 -40.3280 -40.3095 -40.3095 -19.3442 -19.3442 -19.3237 -19.3237 -18.8662 -18.8662 -18.8428 -18.8428 -18.8033 -18.8033 -18.7015 -18.7015 7.6002 7.6002 8.1345 8.1345 8.4546 8.4546 8.7699 8.7699 10.2764 10.2764 10.4390 10.4390 10.8723 10.8723 k = 0.4531 0.3699-0.0000 ( 2080 PWs) bands (ev): -40.3277 -40.3277 -40.3095 -40.3095 -19.3439 -19.3439 -19.3236 -19.3236 -18.8651 -18.8651 -18.8433 -18.8433 -18.8045 -18.8045 -18.7037 -18.7037 7.6225 7.6225 8.1512 8.1512 8.4625 8.4625 8.7636 8.7636 10.2712 10.2712 10.4223 10.4223 10.8785 10.8785 k = 0.4479 0.3789-0.0000 ( 2088 PWs) bands (ev): -40.3274 -40.3274 -40.3096 -40.3096 -19.3436 -19.3436 -19.3236 -19.3236 -18.8639 -18.8639 -18.8438 -18.8438 -18.8059 -18.8059 -18.7062 -18.7062 7.6471 7.6471 8.1692 8.1692 8.4711 8.4711 8.7567 8.7567 10.2654 10.2654 10.4040 10.4040 10.8854 10.8854 k = 0.4427 0.3879-0.0000 ( 2087 PWs) bands (ev): -40.3270 -40.3270 -40.3096 -40.3096 -19.3433 -19.3433 -19.3236 -19.3236 -18.8626 -18.8626 -18.8443 -18.8443 -18.8073 -18.8073 -18.7088 -18.7088 7.6739 7.6739 8.1885 8.1885 8.4803 8.4803 8.7495 8.7495 10.2591 10.2591 10.3846 10.3846 10.8930 10.8930 k = 0.4375 0.3969-0.0000 ( 2083 PWs) bands (ev): -40.3266 -40.3266 -40.3097 -40.3097 -19.3429 -19.3429 -19.3236 -19.3236 -18.8612 -18.8612 -18.8448 -18.8448 -18.8087 -18.8087 -18.7116 -18.7116 7.7027 7.7027 8.2087 8.2087 8.4903 8.4903 8.7418 8.7418 10.2523 10.2523 10.3642 10.3642 10.9013 10.9013 k = 0.4323 0.4059-0.0000 ( 2079 PWs) bands (ev): -40.3261 -40.3261 -40.3098 -40.3098 -19.3426 -19.3426 -19.3237 -19.3237 -18.8598 -18.8598 -18.8453 -18.8453 -18.8101 -18.8101 -18.7145 -18.7145 7.7334 7.7334 8.2297 8.2297 8.5008 8.5008 8.7338 8.7338 10.2449 10.2449 10.3430 10.3430 10.9103 10.9103 k = 0.4271 0.4150-0.0000 ( 2075 PWs) bands (ev): -40.3257 -40.3257 -40.3099 -40.3099 -19.3422 -19.3422 -19.3237 -19.3237 -18.8584 -18.8584 -18.8458 -18.8458 -18.8115 -18.8115 -18.7176 -18.7176 7.7658 7.7658 8.2512 8.2512 8.5118 8.5118 8.7256 8.7256 10.2372 10.2372 10.3211 10.3211 10.9199 10.9199 k = 0.4219 0.4240-0.0000 ( 2075 PWs) bands (ev): -40.3252 -40.3252 -40.3100 -40.3100 -19.3418 -19.3418 -19.3238 -19.3238 -18.8570 -18.8570 -18.8464 -18.8464 -18.8128 -18.8128 -18.7210 -18.7210 7.7997 7.7997 8.2729 8.2729 8.5232 8.5232 8.7173 8.7173 10.2290 10.2290 10.2987 10.2987 10.9301 10.9301 k = 0.4167 0.4330-0.0000 ( 2075 PWs) bands (ev): -40.3247 -40.3247 -40.3101 -40.3101 -19.3414 -19.3414 -19.3239 -19.3239 -18.8557 -18.8557 -18.8469 -18.8469 -18.8140 -18.8140 -18.7244 -18.7244 7.8350 7.8350 8.2946 8.2946 8.5348 8.5348 8.7088 8.7088 10.2203 10.2203 10.2762 10.2762 10.9410 10.9410 k = 0.4115 0.4420-0.0000 ( 2075 PWs) bands (ev): -40.3241 -40.3241 -40.3102 -40.3102 -19.3410 -19.3410 -19.3241 -19.3241 -18.8546 -18.8546 -18.8474 -18.8474 -18.8150 -18.8150 -18.7279 -18.7279 7.8715 7.8715 8.3159 8.3159 8.5465 8.5465 8.7002 8.7002 10.2114 10.2114 10.2538 10.2538 10.9523 10.9523 k = 0.4062 0.4511-0.0000 ( 2079 PWs) bands (ev): -40.3236 -40.3236 -40.3104 -40.3104 -19.3406 -19.3406 -19.3243 -19.3243 -18.8537 -18.8537 -18.8477 -18.8477 -18.8157 -18.8157 -18.7316 -18.7316 7.9090 7.9090 8.3367 8.3367 8.5583 8.5583 8.6915 8.6915 10.2020 10.2020 10.2317 10.2317 10.9641 10.9641 k = 0.4010 0.4601-0.0000 ( 2079 PWs) bands (ev): -40.3230 -40.3230 -40.3105 -40.3105 -19.3402 -19.3402 -19.3245 -19.3245 -18.8532 -18.8532 -18.8478 -18.8478 -18.8161 -18.8161 -18.7353 -18.7353 7.9474 7.9474 8.3565 8.3565 8.5701 8.5701 8.6827 8.6827 10.1922 10.1922 10.2104 10.2104 10.9764 10.9764 k = 0.3958 0.4691-0.0000 ( 2079 PWs) bands (ev): -40.3224 -40.3224 -40.3107 -40.3107 -19.3397 -19.3397 -19.3248 -19.3248 -18.8530 -18.8530 -18.8478 -18.8478 -18.8162 -18.8162 -18.7391 -18.7391 7.9863 7.9863 8.3753 8.3753 8.5816 8.5816 8.6739 8.6739 10.1811 10.1811 10.1910 10.1910 10.9889 10.9889 k = 0.3906 0.4781-0.0000 ( 2079 PWs) bands (ev): -40.3219 -40.3219 -40.3110 -40.3110 -19.3393 -19.3393 -19.3252 -19.3252 -18.8532 -18.8532 -18.8477 -18.8477 -18.8158 -18.8158 -18.7430 -18.7430 8.0256 8.0256 8.3926 8.3926 8.5929 8.5929 8.6649 8.6649 10.1661 10.1661 10.1764 10.1764 11.0017 11.0017 k = 0.3854 0.4871-0.0000 ( 2083 PWs) bands (ev): -40.3212 -40.3212 -40.3112 -40.3112 -19.3388 -19.3388 -19.3255 -19.3255 -18.8536 -18.8536 -18.8476 -18.8476 -18.8150 -18.8150 -18.7469 -18.7469 8.0652 8.0652 8.4084 8.4084 8.6036 8.6036 8.6554 8.6554 10.1487 10.1487 10.1655 10.1655 11.0145 11.0145 k = 0.3802 0.4962-0.0000 ( 2079 PWs) bands (ev): -40.3206 -40.3206 -40.3115 -40.3115 -19.3383 -19.3383 -19.3259 -19.3259 -18.8541 -18.8541 -18.8476 -18.8476 -18.8138 -18.8138 -18.7508 -18.7508 8.1048 8.1048 8.4226 8.4226 8.6137 8.6137 8.6453 8.6453 10.1320 10.1320 10.1554 10.1554 11.0273 11.0273 k = 0.3750 0.5052-0.0000 ( 2083 PWs) bands (ev): -40.3200 -40.3200 -40.3117 -40.3117 -19.3379 -19.3379 -19.3264 -19.3264 -18.8547 -18.8547 -18.8477 -18.8477 -18.8122 -18.8122 -18.7546 -18.7546 8.1442 8.1442 8.4351 8.4351 8.6231 8.6231 8.6343 8.6343 10.1168 10.1168 10.1456 10.1456 11.0397 11.0397 k = 0.3698 0.5142-0.0000 ( 2079 PWs) bands (ev): -40.3194 -40.3194 -40.3121 -40.3121 -19.3374 -19.3374 -19.3269 -19.3269 -18.8553 -18.8553 -18.8478 -18.8478 -18.8103 -18.8103 -18.7585 -18.7585 8.1833 8.1833 8.4460 8.4460 8.6218 8.6218 8.6318 8.6318 10.1036 10.1036 10.1361 10.1361 11.0516 11.0516 k = 0.3646 0.5232-0.0000 ( 2079 PWs) bands (ev): -40.3188 -40.3188 -40.3124 -40.3124 -19.3369 -19.3369 -19.3275 -19.3275 -18.8559 -18.8559 -18.8480 -18.8480 -18.8081 -18.8081 -18.7622 -18.7622 8.2218 8.2218 8.4553 8.4553 8.6078 8.6078 8.6393 8.6393 10.0925 10.0925 10.1268 10.1268 11.0628 11.0628 k = 0.3594 0.5322-0.0000 ( 2077 PWs) bands (ev): -40.3182 -40.3182 -40.3128 -40.3128 -19.3363 -19.3363 -19.3281 -19.3281 -18.8564 -18.8564 -18.8483 -18.8483 -18.8057 -18.8057 -18.7659 -18.7659 8.2596 8.2596 8.4630 8.4630 8.5918 8.5918 8.6459 8.6459 10.0837 10.0837 10.1179 10.1179 11.0730 11.0730 k = 0.3542 0.5413-0.0000 ( 2085 PWs) bands (ev): -40.3175 -40.3175 -40.3132 -40.3132 -19.3358 -19.3358 -19.3287 -19.3287 -18.8569 -18.8569 -18.8485 -18.8485 -18.8033 -18.8033 -18.7694 -18.7694 8.2965 8.2965 8.4688 8.4688 8.5735 8.5735 8.6512 8.6512 10.0774 10.0774 10.1094 10.1094 11.0819 11.0819 k = 0.3490 0.5503-0.0000 ( 2081 PWs) bands (ev): -40.3169 -40.3169 -40.3136 -40.3136 -19.3352 -19.3352 -19.3293 -19.3293 -18.8573 -18.8573 -18.8487 -18.8487 -18.8009 -18.8009 -18.7726 -18.7726 8.3325 8.3325 8.4727 8.4727 8.5534 8.5534 8.6554 8.6554 10.0736 10.0736 10.1014 10.1014 11.0892 11.0892 k = 0.3438 0.5593-0.0000 ( 2089 PWs) bands (ev): -40.3163 -40.3163 -40.3141 -40.3141 -19.3348 -19.3348 -19.3300 -19.3300 -18.8577 -18.8577 -18.8488 -18.8488 -18.7988 -18.7988 -18.7753 -18.7753 8.3673 8.3673 8.4718 8.4718 8.5335 8.5335 8.6583 8.6583 10.0725 10.0725 10.0940 10.0940 11.0948 11.0948 k = 0.3385 0.5683-0.0000 ( 2093 PWs) bands (ev): -40.3157 -40.3157 -40.3146 -40.3146 -19.3344 -19.3344 -19.3304 -19.3304 -18.8579 -18.8579 -18.8489 -18.8489 -18.7972 -18.7972 -18.7773 -18.7773 8.4007 8.4007 8.4611 8.4611 8.5195 8.5195 8.6600 8.6600 10.0737 10.0737 10.0875 10.0875 11.0983 11.0983 k = 0.3333 0.5774-0.0000 ( 2097 PWs) bands (ev): -40.3152 -40.3152 -40.3152 -40.3152 -19.3342 -19.3342 -19.3307 -19.3307 -18.8580 -18.8580 -18.8490 -18.8490 -18.7966 -18.7966 -18.7780 -18.7780 8.4264 8.4264 8.4421 8.4421 8.5157 8.5157 8.6606 8.6606 10.0755 10.0755 10.0840 10.0840 11.0995 11.0995 k = 0.3333 0.5774-0.0000 ( 2097 PWs) bands (ev): -40.3152 -40.3152 -40.3152 -40.3152 -19.3342 -19.3342 -19.3307 -19.3307 -18.8580 -18.8580 -18.8490 -18.8490 -18.7966 -18.7966 -18.7780 -18.7780 8.4264 8.4264 8.4421 8.4421 8.5157 8.5157 8.6606 8.6606 10.0755 10.0755 10.0840 10.0840 11.0995 11.0995 k = 0.3281 0.5683-0.0000 ( 2095 PWs) bands (ev): -40.3158 -40.3158 -40.3146 -40.3146 -19.3344 -19.3344 -19.3304 -19.3304 -18.8579 -18.8579 -18.8490 -18.8490 -18.7972 -18.7972 -18.7773 -18.7773 8.3969 8.3969 8.4664 8.4664 8.5179 8.5179 8.6600 8.6600 10.0729 10.0729 10.0883 10.0883 11.0982 11.0982 k = 0.3229 0.5593-0.0000 ( 2093 PWs) bands (ev): -40.3164 -40.3164 -40.3141 -40.3141 -19.3349 -19.3349 -19.3298 -19.3298 -18.8576 -18.8576 -18.8489 -18.8489 -18.7987 -18.7987 -18.7754 -18.7754 8.3538 8.3538 8.4959 8.4959 8.5230 8.5230 8.6585 8.6585 10.0688 10.0688 10.0977 10.0977 11.0943 11.0943 k = 0.3177 0.5503-0.0000 ( 2089 PWs) bands (ev): -40.3170 -40.3170 -40.3135 -40.3135 -19.3356 -19.3356 -19.3290 -19.3290 -18.8572 -18.8572 -18.8488 -18.8488 -18.8008 -18.8008 -18.7727 -18.7727 8.3043 8.3043 8.5235 8.5235 8.5303 8.5303 8.6561 8.6561 10.0651 10.0651 10.1100 10.1100 11.0877 11.0877 k = 0.3125 0.5413-0.0000 ( 2081 PWs) bands (ev): -40.3177 -40.3177 -40.3130 -40.3130 -19.3363 -19.3363 -19.3279 -19.3279 -18.8567 -18.8567 -18.8487 -18.8487 -18.8030 -18.8030 -18.7696 -18.7696 8.2493 8.2493 8.5367 8.5367 8.5522 8.5522 8.6529 8.6529 10.0623 10.0623 10.1249 10.1249 11.0783 11.0783 k = 0.3073 0.5322-0.0000 ( 2081 PWs) bands (ev): -40.3185 -40.3185 -40.3126 -40.3126 -19.3371 -19.3371 -19.3267 -19.3267 -18.8560 -18.8560 -18.8486 -18.8486 -18.8052 -18.8052 -18.7662 -18.7662 8.1889 8.1889 8.5458 8.5458 8.5778 8.5778 8.6490 8.6490 10.0604 10.0604 10.1422 10.1422 11.0661 11.0661 k = 0.3021 0.5232-0.0000 ( 2081 PWs) bands (ev): -40.3193 -40.3193 -40.3121 -40.3121 -19.3379 -19.3379 -19.3254 -19.3254 -18.8552 -18.8552 -18.8486 -18.8486 -18.8072 -18.8072 -18.7626 -18.7626 8.1236 8.1236 8.5560 8.5560 8.6022 8.6022 8.6447 8.6447 10.0596 10.0596 10.1617 10.1617 11.0511 11.0511 k = 0.2969 0.5142-0.0000 ( 2083 PWs) bands (ev): -40.3201 -40.3201 -40.3117 -40.3117 -19.3387 -19.3387 -19.3239 -19.3239 -18.8543 -18.8543 -18.8486 -18.8486 -18.8090 -18.8090 -18.7589 -18.7589 8.0536 8.0536 8.5673 8.5673 8.6251 8.6251 8.6402 8.6402 10.0598 10.0598 10.1831 10.1831 11.0334 11.0334 k = 0.2917 0.5052-0.0000 ( 2087 PWs) bands (ev): -40.3210 -40.3210 -40.3113 -40.3113 -19.3396 -19.3396 -19.3223 -19.3223 -18.8535 -18.8535 -18.8486 -18.8486 -18.8104 -18.8104 -18.7551 -18.7551 7.9791 7.9791 8.5798 8.5798 8.6351 8.6351 8.6471 8.6471 10.0612 10.0612 10.2064 10.2064 11.0132 11.0132 k = 0.2865 0.4962-0.0000 ( 2083 PWs) bands (ev): -40.3219 -40.3219 -40.3109 -40.3109 -19.3403 -19.3403 -19.3206 -19.3206 -18.8529 -18.8529 -18.8482 -18.8482 -18.8113 -18.8113 -18.7513 -18.7513 7.9007 7.9007 8.5937 8.5937 8.6305 8.6305 8.6674 8.6674 10.0638 10.0638 10.2313 10.2313 10.9905 10.9905 k = 0.2812 0.4871-0.0000 ( 2087 PWs) bands (ev): -40.3228 -40.3228 -40.3106 -40.3106 -19.3411 -19.3411 -19.3187 -19.3187 -18.8531 -18.8531 -18.8473 -18.8473 -18.8119 -18.8119 -18.7474 -18.7474 7.8183 7.8183 8.6087 8.6087 8.6261 8.6261 8.6863 8.6863 10.0676 10.0676 10.2577 10.2577 10.9656 10.9657 k = 0.2760 0.4781-0.0000 ( 2091 PWs) bands (ev): -40.3238 -40.3238 -40.3103 -40.3103 -19.3418 -19.3418 -19.3166 -19.3166 -18.8538 -18.8538 -18.8458 -18.8458 -18.8120 -18.8120 -18.7435 -18.7435 7.7325 7.7325 8.6202 8.6202 8.6269 8.6269 8.7038 8.7038 10.0726 10.0726 10.2854 10.2854 10.9387 10.9387 k = 0.2708 0.4691-0.0000 ( 2091 PWs) bands (ev): -40.3249 -40.3249 -40.3100 -40.3100 -19.3425 -19.3425 -19.3144 -19.3144 -18.8549 -18.8549 -18.8439 -18.8439 -18.8116 -18.8116 -18.7396 -18.7396 7.6435 7.6435 8.6173 8.6173 8.6441 8.6441 8.7199 8.7199 10.0790 10.0790 10.3143 10.3143 10.9101 10.9101 k = 0.2656 0.4601-0.0000 ( 2083 PWs) bands (ev): -40.3259 -40.3259 -40.3098 -40.3098 -19.3430 -19.3430 -19.3120 -19.3120 -18.8563 -18.8563 -18.8418 -18.8418 -18.8108 -18.8108 -18.7357 -18.7357 7.5519 7.5519 8.6142 8.6142 8.6635 8.6635 8.7344 8.7344 10.0868 10.0868 10.3441 10.3441 10.8800 10.8800 k = 0.2604 0.4511-0.0000 ( 2079 PWs) bands (ev): -40.3271 -40.3271 -40.3095 -40.3095 -19.3436 -19.3436 -19.3094 -19.3094 -18.8579 -18.8579 -18.8394 -18.8394 -18.8097 -18.8097 -18.7317 -18.7317 7.4577 7.4577 8.6118 8.6118 8.6845 8.6845 8.7474 8.7474 10.0959 10.0960 10.3747 10.3747 10.8486 10.8486 k = 0.2552 0.4420-0.0000 ( 2083 PWs) bands (ev): -40.3282 -40.3282 -40.3094 -40.3094 -19.3441 -19.3441 -19.3067 -19.3067 -18.8596 -18.8596 -18.8369 -18.8369 -18.8082 -18.8082 -18.7279 -18.7279 7.3613 7.3613 8.6101 8.6101 8.7071 8.7071 8.7588 8.7588 10.1065 10.1065 10.4059 10.4059 10.8164 10.8164 k = 0.2500 0.4330-0.0000 ( 2081 PWs) bands (ev): -40.3294 -40.3294 -40.3092 -40.3092 -19.3445 -19.3445 -19.3038 -19.3038 -18.8614 -18.8614 -18.8341 -18.8341 -18.8064 -18.8064 -18.7240 -18.7240 7.2631 7.2631 8.6094 8.6094 8.7311 8.7311 8.7685 8.7685 10.1184 10.1184 10.4376 10.4376 10.7836 10.7836 k = 0.2448 0.4240-0.0000 ( 2081 PWs) bands (ev): -40.3306 -40.3306 -40.3091 -40.3091 -19.3449 -19.3449 -19.3007 -19.3007 -18.8632 -18.8632 -18.8313 -18.8313 -18.8043 -18.8043 -18.7201 -18.7201 7.1634 7.1634 8.6096 8.6096 8.7565 8.7565 8.7764 8.7764 10.1318 10.1318 10.4697 10.4697 10.7507 10.7507 k = 0.2396 0.4150-0.0000 ( 2081 PWs) bands (ev): -40.3319 -40.3319 -40.3091 -40.3091 -19.3452 -19.3452 -19.2975 -19.2975 -18.8650 -18.8650 -18.8283 -18.8283 -18.8020 -18.8020 -18.7163 -18.7163 7.0625 7.0625 8.6109 8.6109 8.7796 8.7796 8.7861 8.7861 10.1466 10.1466 10.5020 10.5020 10.7179 10.7179 k = 0.2344 0.4059-0.0000 ( 2085 PWs) bands (ev): -40.3332 -40.3332 -40.3090 -40.3090 -19.3455 -19.3455 -19.2941 -19.2941 -18.8668 -18.8668 -18.8251 -18.8251 -18.7994 -18.7994 -18.7126 -18.7126 6.9607 6.9607 8.6132 8.6132 8.7846 8.7846 8.8132 8.8132 10.1628 10.1628 10.5344 10.5344 10.6858 10.6858 k = 0.2292 0.3969-0.0000 ( 2085 PWs) bands (ev): -40.3345 -40.3345 -40.3090 -40.3090 -19.3457 -19.3457 -19.2906 -19.2906 -18.8685 -18.8685 -18.8218 -18.8218 -18.7967 -18.7967 -18.7088 -18.7088 6.8582 6.8582 8.6169 8.6169 8.7858 8.7858 8.8433 8.8433 10.1804 10.1804 10.5666 10.5666 10.6549 10.6549 k = 0.2240 0.3879-0.0000 ( 2089 PWs) bands (ev): -40.3358 -40.3358 -40.3091 -40.3091 -19.3459 -19.3459 -19.2869 -19.2869 -18.8701 -18.8701 -18.8185 -18.8185 -18.7937 -18.7937 -18.7051 -18.7051 6.7552 6.7552 8.6218 8.6218 8.7842 8.7842 8.8749 8.8749 10.1995 10.1995 10.5979 10.5979 10.6262 10.6262 k = 0.2188 0.3789-0.0000 ( 2089 PWs) bands (ev): -40.3372 -40.3372 -40.3091 -40.3091 -19.3460 -19.3460 -19.2830 -19.2830 -18.8717 -18.8717 -18.8150 -18.8150 -18.7906 -18.7906 -18.7015 -18.7015 6.6521 6.6521 8.6280 8.6280 8.7799 8.7799 8.9081 8.9081 10.2200 10.2200 10.5954 10.5954 10.6330 10.6330 k = 0.2135 0.3699-0.0000 ( 2085 PWs) bands (ev): -40.3386 -40.3386 -40.3092 -40.3092 -19.3461 -19.3461 -19.2790 -19.2790 -18.8730 -18.8730 -18.8114 -18.8114 -18.7873 -18.7873 -18.6979 -18.6979 6.5490 6.5490 8.6356 8.6356 8.7725 8.7725 8.9429 8.9429 10.2419 10.2419 10.5703 10.5703 10.6642 10.6642 k = 0.2083 0.3608-0.0000 ( 2077 PWs) bands (ev): -40.3401 -40.3401 -40.3094 -40.3094 -19.3461 -19.3461 -19.2748 -19.2748 -18.8743 -18.8743 -18.8077 -18.8077 -18.7838 -18.7838 -18.6943 -18.6943 6.4462 6.4462 8.6445 8.6445 8.7620 8.7620 8.9791 8.9791 10.2652 10.2652 10.5472 10.5472 10.6957 10.6957 k = 0.2031 0.3518-0.0000 ( 2077 PWs) bands (ev): -40.3415 -40.3415 -40.3095 -40.3095 -19.3461 -19.3461 -19.2705 -19.2705 -18.8755 -18.8755 -18.8039 -18.8039 -18.7801 -18.7801 -18.6909 -18.6909 6.3438 6.3438 8.6548 8.6548 8.7482 8.7482 9.0167 9.0167 10.2897 10.2897 10.5269 10.5269 10.7268 10.7268 k = 0.1979 0.3428-0.0000 ( 2081 PWs) bands (ev): -40.3430 -40.3430 -40.3097 -40.3097 -19.3461 -19.3461 -19.2662 -19.2662 -18.8765 -18.8765 -18.8002 -18.8002 -18.7763 -18.7763 -18.6875 -18.6875 6.2420 6.2420 8.6663 8.6663 8.7310 8.7310 9.0556 9.0556 10.3156 10.3156 10.5096 10.5096 10.7574 10.7574 k = 0.1927 0.3338-0.0000 ( 2081 PWs) bands (ev): -40.3445 -40.3445 -40.3100 -40.3100 -19.3461 -19.3461 -19.2617 -19.2617 -18.8774 -18.8774 -18.7964 -18.7964 -18.7723 -18.7723 -18.6842 -18.6842 6.1410 6.1410 8.6788 8.6788 8.7107 8.7107 9.0959 9.0959 10.3429 10.3429 10.4958 10.4958 10.7876 10.7876 k = 0.1875 0.3248-0.0000 ( 2083 PWs) bands (ev): -40.3459 -40.3459 -40.3102 -40.3102 -19.3461 -19.3461 -19.2571 -19.2571 -18.8781 -18.8781 -18.7925 -18.7925 -18.7682 -18.7682 -18.6809 -18.6809 6.0411 6.0411 8.6831 8.6831 8.6965 8.6965 9.1374 9.1374 10.3713 10.3713 10.4854 10.4854 10.8171 10.8171 k = 0.1823 0.3157-0.0000 ( 2079 PWs) bands (ev): -40.3475 -40.3475 -40.3105 -40.3105 -19.3460 -19.3460 -19.2525 -19.2525 -18.8786 -18.8786 -18.7886 -18.7886 -18.7639 -18.7639 -18.6777 -18.6777 5.9422 5.9422 8.6573 8.6573 8.7104 8.7104 9.1802 9.1802 10.4009 10.4009 10.4788 10.4788 10.8461 10.8461 k = 0.1771 0.3067-0.0000 ( 2075 PWs) bands (ev): -40.3490 -40.3490 -40.3108 -40.3108 -19.3460 -19.3460 -19.2478 -19.2478 -18.8791 -18.8791 -18.7847 -18.7847 -18.7594 -18.7594 -18.6746 -18.6746 5.8446 5.8446 8.6266 8.6266 8.7273 8.7273 9.2242 9.2242 10.4314 10.4314 10.4760 10.4760 10.8744 10.8744 k = 0.1719 0.2977-0.0000 ( 2071 PWs) bands (ev): -40.3505 -40.3505 -40.3111 -40.3111 -19.3460 -19.3460 -19.2430 -19.2430 -18.8793 -18.8793 -18.7808 -18.7808 -18.7548 -18.7548 -18.6715 -18.6715 5.7485 5.7485 8.5925 8.5925 8.7457 8.7457 9.2693 9.2693 10.4613 10.4613 10.4785 10.4785 10.9020 10.9020 k = 0.1667 0.2887-0.0000 ( 2071 PWs) bands (ev): -40.3520 -40.3520 -40.3115 -40.3115 -19.3460 -19.3460 -19.2382 -19.2382 -18.8794 -18.8794 -18.7769 -18.7769 -18.7502 -18.7502 -18.6686 -18.6686 5.6538 5.6538 8.5555 8.5555 8.7653 8.7653 9.3154 9.3154 10.4768 10.4768 10.4998 10.4998 10.9289 10.9289 k = 0.1615 0.2797-0.0000 ( 2067 PWs) bands (ev): -40.3535 -40.3535 -40.3119 -40.3119 -19.3460 -19.3460 -19.2334 -19.2334 -18.8794 -18.8794 -18.7730 -18.7730 -18.7453 -18.7453 -18.6657 -18.6657 5.5609 5.5609 8.5158 8.5158 8.7862 8.7862 9.3625 9.3625 10.4851 10.4851 10.5326 10.5326 10.9551 10.9551 k = 0.1562 0.2706-0.0000 ( 2065 PWs) bands (ev): -40.3550 -40.3550 -40.3122 -40.3122 -19.3461 -19.3461 -19.2285 -19.2285 -18.8793 -18.8793 -18.7692 -18.7692 -18.7404 -18.7404 -18.6629 -18.6629 5.4698 5.4698 8.4737 8.4737 8.8083 8.8083 9.4104 9.4104 10.4957 10.4957 10.5673 10.5673 10.9805 10.9805 k = 0.1510 0.2616-0.0000 ( 2063 PWs) bands (ev): -40.3565 -40.3565 -40.3127 -40.3127 -19.3462 -19.3462 -19.2237 -19.2237 -18.8790 -18.8790 -18.7653 -18.7653 -18.7354 -18.7354 -18.6602 -18.6602 5.3806 5.3806 8.4296 8.4296 8.8316 8.8316 9.4591 9.4591 10.5089 10.5089 10.6030 10.6030 11.0052 11.0052 k = 0.1458 0.2526-0.0000 ( 2067 PWs) bands (ev): -40.3580 -40.3580 -40.3131 -40.3131 -19.3463 -19.3463 -19.2190 -19.2190 -18.8786 -18.8786 -18.7614 -18.7614 -18.7303 -18.7303 -18.6576 -18.6576 5.2934 5.2934 8.3837 8.3837 8.8560 8.8560 9.5084 9.5084 10.5247 10.5247 10.6395 10.6395 11.0292 11.0292 k = 0.1406 0.2436-0.0000 ( 2071 PWs) bands (ev): -40.3595 -40.3595 -40.3135 -40.3135 -19.3465 -19.3465 -19.2143 -19.2143 -18.8781 -18.8781 -18.7576 -18.7576 -18.7252 -18.7252 -18.6551 -18.6551 5.2083 5.2083 8.3364 8.3364 8.8814 8.8814 9.5585 9.5585 10.5429 10.5429 10.6767 10.6767 11.0525 11.0525 k = 0.1354 0.2345-0.0000 ( 2075 PWs) bands (ev): -40.3609 -40.3609 -40.3139 -40.3139 -19.3467 -19.3467 -19.2096 -19.2096 -18.8775 -18.8775 -18.7538 -18.7538 -18.7201 -18.7201 -18.6527 -18.6527 5.1254 5.1254 8.2881 8.2881 8.9077 8.9077 9.6089 9.6089 10.5631 10.5631 10.7145 10.7145 11.0751 11.0751 k = 0.1302 0.2255-0.0000 ( 2071 PWs) bands (ev): -40.3624 -40.3624 -40.3144 -40.3144 -19.3469 -19.3469 -19.2050 -19.2050 -18.8768 -18.8768 -18.7500 -18.7500 -18.7149 -18.7149 -18.6503 -18.6503 5.0449 5.0449 8.2390 8.2390 8.9349 8.9349 9.6598 9.6598 10.5853 10.5853 10.7528 10.7528 11.0970 11.0970 k = 0.1250 0.2165-0.0000 ( 2071 PWs) bands (ev): -40.3638 -40.3638 -40.3148 -40.3148 -19.3472 -19.3472 -19.2005 -19.2005 -18.8760 -18.8760 -18.7462 -18.7462 -18.7097 -18.7097 -18.6481 -18.6481 4.9668 4.9668 8.1895 8.1895 8.9629 8.9629 9.7110 9.7110 10.6090 10.6090 10.7915 10.7915 11.1182 11.1182 k = 0.1198 0.2075-0.0000 ( 2071 PWs) bands (ev): -40.3652 -40.3652 -40.3153 -40.3153 -19.3475 -19.3475 -19.1961 -19.1961 -18.8751 -18.8751 -18.7425 -18.7425 -18.7045 -18.7045 -18.6460 -18.6460 4.8912 4.8912 8.1399 8.1399 8.9916 8.9916 9.7623 9.7623 10.6341 10.6341 10.8305 10.8305 11.1388 11.1388 k = 0.1146 0.1985-0.0000 ( 2075 PWs) bands (ev): -40.3665 -40.3665 -40.3157 -40.3157 -19.3478 -19.3478 -19.1919 -19.1919 -18.8741 -18.8741 -18.7388 -18.7388 -18.6994 -18.6994 -18.6439 -18.6439 4.8182 4.8182 8.0904 8.0904 9.0208 9.0208 9.8136 9.8136 10.6602 10.6602 10.8697 10.8697 11.1587 11.1587 k = 0.1094 0.1894-0.0000 ( 2071 PWs) bands (ev): -40.3678 -40.3678 -40.3162 -40.3162 -19.3482 -19.3482 -19.1877 -19.1877 -18.8731 -18.8731 -18.7352 -18.7352 -18.6942 -18.6942 -18.6420 -18.6420 4.7479 4.7479 8.0414 8.0414 9.0505 9.0505 9.8649 9.8649 10.6871 10.6871 10.9089 10.9089 11.1778 11.1778 k = 0.1042 0.1804-0.0000 ( 2067 PWs) bands (ev): -40.3691 -40.3691 -40.3166 -40.3166 -19.3486 -19.3486 -19.1836 -19.1836 -18.8721 -18.8721 -18.7316 -18.7316 -18.6892 -18.6892 -18.6401 -18.6401 4.6803 4.6803 7.9931 7.9931 9.0805 9.0805 9.9159 9.9159 10.7147 10.7147 10.9480 10.9480 11.1947 11.2038 k = 0.0990 0.1714-0.0000 ( 2073 PWs) bands (ev): -40.3703 -40.3703 -40.3171 -40.3171 -19.3490 -19.3490 -19.1798 -19.1798 -18.8710 -18.8710 -18.7281 -18.7281 -18.6843 -18.6843 -18.6383 -18.6383 4.6156 4.6156 7.9457 7.9457 9.1107 9.1107 9.9666 9.9666 10.7424 10.7424 10.9868 10.9868 11.1561 11.1561 k = 0.0938 0.1624-0.0000 ( 2071 PWs) bands (ev): -40.3715 -40.3715 -40.3175 -40.3175 -19.3494 -19.3494 -19.1760 -19.1760 -18.8699 -18.8699 -18.7246 -18.7246 -18.6795 -18.6795 -18.6366 -18.6366 4.5537 4.5537 7.8994 7.8994 9.1410 9.1410 10.0169 10.0169 10.7702 10.7702 11.0252 11.0252 11.1102 11.1102 k = 0.0885 0.1534-0.0000 ( 2071 PWs) bands (ev): -40.3727 -40.3727 -40.3179 -40.3179 -19.3499 -19.3499 -19.1725 -19.1725 -18.8689 -18.8689 -18.7213 -18.7213 -18.6748 -18.6748 -18.6350 -18.6350 4.4948 4.4948 7.8546 7.8546 9.1712 9.1712 10.0666 10.0666 10.7977 10.7977 11.0627 11.0627 11.0670 11.0670 k = 0.0833 0.1443-0.0000 ( 2071 PWs) bands (ev): -40.3738 -40.3738 -40.3183 -40.3183 -19.3503 -19.3503 -19.1690 -19.1690 -18.8678 -18.8678 -18.7181 -18.7181 -18.6702 -18.6702 -18.6335 -18.6335 4.4389 4.4389 7.8112 7.8112 9.2011 9.2011 10.1154 10.1154 10.8244 10.8244 11.0260 11.0260 11.0996 11.0997 k = 0.0781 0.1353-0.0000 ( 2075 PWs) bands (ev): -40.3748 -40.3748 -40.3187 -40.3187 -19.3508 -19.3508 -19.1658 -19.1658 -18.8668 -18.8668 -18.7150 -18.7150 -18.6658 -18.6658 -18.6321 -18.6321 4.3861 4.3861 7.7696 7.7696 9.2306 9.2306 10.1635 10.1635 10.8496 10.8496 10.9888 10.9888 11.1252 11.1253 k = 0.0729 0.1263-0.0000 ( 2069 PWs) bands (ev): -40.3758 -40.3758 -40.3191 -40.3191 -19.3513 -19.3513 -19.1627 -19.1627 -18.8657 -18.8657 -18.7120 -18.7120 -18.6616 -18.6616 -18.6307 -18.6307 4.3364 4.3364 7.7300 7.7300 9.2595 9.2595 10.2107 10.2107 10.8709 10.8709 10.9572 10.9572 11.1063 11.1063 k = 0.0677 0.1173-0.0000 ( 2067 PWs) bands (ev): -40.3767 -40.3767 -40.3195 -40.3195 -19.3517 -19.3517 -19.1599 -19.1599 -18.8647 -18.8647 -18.7091 -18.7091 -18.6576 -18.6576 -18.6295 -18.6295 4.2899 4.2899 7.6925 7.6925 9.2876 9.2876 10.2568 10.2568 10.8796 10.8796 10.9398 10.9398 11.0833 11.0833 k = 0.0625 0.1083-0.0000 ( 2067 PWs) bands (ev): -40.3776 -40.3776 -40.3198 -40.3198 -19.3521 -19.3521 -19.1572 -19.1572 -18.8637 -18.8637 -18.7063 -18.7063 -18.6539 -18.6539 -18.6283 -18.6283 4.2466 4.2466 7.6572 7.6572 9.3147 9.3147 10.3017 10.3017 10.8652 10.8652 10.9469 10.9469 11.0600 11.0600 k = 0.0573 0.0992-0.0000 ( 2067 PWs) bands (ev): -40.3784 -40.3784 -40.3201 -40.3201 -19.3526 -19.3526 -19.1548 -19.1548 -18.8628 -18.8628 -18.7038 -18.7038 -18.6504 -18.6504 -18.6272 -18.6272 4.2067 4.2067 7.6242 7.6242 9.3406 9.3406 10.3454 10.3454 10.8411 10.8411 10.9649 10.9649 11.0366 11.0366 k = 0.0521 0.0902-0.0000 ( 2065 PWs) bands (ev): -40.3792 -40.3792 -40.3204 -40.3204 -19.3530 -19.3530 -19.1525 -19.1525 -18.8620 -18.8620 -18.7014 -18.7014 -18.6472 -18.6472 -18.6262 -18.6262 4.1701 4.1701 7.5937 7.5937 9.3652 9.3652 10.3877 10.3877 10.8163 10.8163 10.9845 10.9845 11.0132 11.0132 k = 0.0469 0.0812-0.0000 ( 2069 PWs) bands (ev): -40.3799 -40.3799 -40.3207 -40.3207 -19.3534 -19.3534 -19.1505 -19.1505 -18.8612 -18.8612 -18.6992 -18.6992 -18.6443 -18.6443 -18.6253 -18.6253 4.1368 4.1368 7.5658 7.5658 9.3881 9.3881 10.4284 10.4284 10.7930 10.7930 10.9891 10.9891 11.0041 11.0041 k = 0.0417 0.0722-0.0000 ( 2063 PWs) bands (ev): -40.3805 -40.3805 -40.3210 -40.3210 -19.3537 -19.3537 -19.1486 -19.1486 -18.8605 -18.8605 -18.6972 -18.6972 -18.6416 -18.6416 -18.6244 -18.6244 4.1069 4.1069 7.5406 7.5406 9.4094 9.4094 10.4677 10.4677 10.7719 10.7719 10.9656 10.9656 11.0217 11.0217 k = 0.0365 0.0631-0.0000 ( 2067 PWs) bands (ev): -40.3810 -40.3810 -40.3212 -40.3212 -19.3541 -19.3541 -19.1470 -19.1470 -18.8598 -18.8598 -18.6954 -18.6954 -18.6394 -18.6394 -18.6236 -18.6236 4.0805 4.0805 7.5181 7.5181 9.4286 9.4286 10.5054 10.5054 10.7530 10.7530 10.9417 10.9417 11.0378 11.0378 k = 0.0312 0.0541-0.0000 ( 2059 PWs) bands (ev): -40.3815 -40.3815 -40.3214 -40.3214 -19.3543 -19.3543 -19.1456 -19.1456 -18.8592 -18.8592 -18.6938 -18.6938 -18.6373 -18.6373 -18.6229 -18.6229 4.0576 4.0576 7.4986 7.4986 9.4456 9.4456 10.5414 10.5414 10.7367 10.7367 10.9177 10.9177 11.0520 11.0520 k = 0.0260 0.0451-0.0000 ( 2063 PWs) bands (ev): -40.3819 -40.3819 -40.3215 -40.3215 -19.3546 -19.3546 -19.1444 -19.1444 -18.8588 -18.8588 -18.6924 -18.6924 -18.6357 -18.6357 -18.6222 -18.6222 4.0381 4.0381 7.4818 7.4818 9.4604 9.4604 10.5754 10.5754 10.7229 10.7229 10.8938 10.8938 11.0638 11.0638 k = 0.0208 0.0361-0.0000 ( 2059 PWs) bands (ev): -40.3822 -40.3822 -40.3217 -40.3217 -19.3548 -19.3548 -19.1434 -19.1434 -18.8583 -18.8583 -18.6913 -18.6913 -18.6343 -18.6343 -18.6217 -18.6217 4.0221 4.0221 7.4681 7.4681 9.4727 9.4727 10.6073 10.6073 10.7117 10.7117 10.8701 10.8701 11.0731 11.0731 k = 0.0156 0.0271-0.0000 ( 2059 PWs) bands (ev): -40.3825 -40.3825 -40.3218 -40.3218 -19.3549 -19.3549 -19.1427 -19.1427 -18.8580 -18.8580 -18.6904 -18.6904 -18.6333 -18.6333 -18.6212 -18.6212 4.0097 4.0097 7.4574 7.4574 9.4824 9.4824 10.6362 10.6362 10.7034 10.7034 10.8472 10.8472 11.0794 11.0794 k = 0.0104 0.0180-0.0000 ( 2057 PWs) bands (ev): -40.3827 -40.3827 -40.3219 -40.3219 -19.3551 -19.3551 -19.1421 -19.1421 -18.8578 -18.8578 -18.6898 -18.6898 -18.6325 -18.6325 -18.6209 -18.6209 4.0008 4.0008 7.4498 7.4498 9.4894 9.4894 10.6604 10.6604 10.6987 10.6987 10.8261 10.8261 11.0825 11.0825 k = 0.0052 0.0090-0.0000 ( 2057 PWs) bands (ev): -40.3828 -40.3828 -40.3219 -40.3219 -19.3551 -19.3551 -19.1418 -19.1418 -18.8576 -18.8576 -18.6894 -18.6894 -18.6321 -18.6321 -18.6207 -18.6207 3.9955 3.9955 7.4451 7.4451 9.4936 9.4936 10.6755 10.6755 10.6992 10.6992 10.8095 10.8095 11.0833 11.0833 k = 0.0000 0.0000 0.0000 ( 2045 PWs) bands (ev): -40.3828 -40.3828 -40.3219 -40.3219 -19.3551 -19.3551 -19.1416 -19.1416 -18.8575 -18.8575 -18.6892 -18.6892 -18.6319 -18.6319 -18.6206 -18.6206 3.9937 3.9937 7.4437 7.4437 9.4952 9.4952 10.6793 10.6793 10.7019 10.7019 10.8027 10.8027 11.0834 11.0834 k = 0.0000 0.0000 0.0000 ( 2045 PWs) bands (ev): -40.3828 -40.3828 -40.3219 -40.3219 -19.3551 -19.3551 -19.1416 -19.1416 -18.8575 -18.8575 -18.6892 -18.6892 -18.6319 -18.6319 -18.6206 -18.6206 3.9937 3.9937 7.4437 7.4437 9.4952 9.4952 10.6793 10.6793 10.7019 10.7019 10.8027 10.8027 11.0834 11.0834 k = 0.0000 0.0000 0.0105 ( 2057 PWs) bands (ev): -40.3828 -40.3828 -40.3220 -40.3220 -19.3550 -19.3550 -19.1418 -19.1418 -18.8575 -18.8575 -18.6892 -18.6892 -18.6320 -18.6320 -18.6208 -18.6208 3.9955 3.9955 7.4406 7.4406 9.4947 9.4947 10.6784 10.6784 10.7009 10.7009 10.8015 10.8015 11.0824 11.0824 k = 0.0000 0.0000 0.0209 ( 2057 PWs) bands (ev): -40.3827 -40.3827 -40.3221 -40.3221 -19.3544 -19.3544 -19.1421 -19.1421 -18.8571 -18.8571 -18.6891 -18.6891 -18.6321 -18.6321 -18.6214 -18.6214 4.0009 4.0009 7.4316 7.4316 9.4938 9.4938 10.6758 10.6758 10.6981 10.6981 10.7980 10.7980 11.0793 11.0793 k = 0.0000 0.0000 0.0314 ( 2057 PWs) bands (ev): -40.3825 -40.3825 -40.3223 -40.3223 -19.3535 -19.3535 -19.1427 -19.1427 -18.8565 -18.8565 -18.6889 -18.6889 -18.6323 -18.6323 -18.6225 -18.6225 4.0099 4.0099 7.4166 7.4166 9.4924 9.4924 10.6716 10.6716 10.6936 10.6936 10.7920 10.7920 11.0742 11.0742 k = 0.0000 0.0000 0.0418 ( 2057 PWs) bands (ev): -40.3822 -40.3822 -40.3226 -40.3226 -19.3523 -19.3523 -19.1435 -19.1435 -18.8557 -18.8557 -18.6886 -18.6886 -18.6326 -18.6326 -18.6239 -18.6239 4.0225 4.0225 7.3956 7.3956 9.4908 9.4908 10.6659 10.6659 10.6876 10.6876 10.7837 10.7837 11.0671 11.0671 k = 0.0000 0.0000 0.0523 ( 2051 PWs) bands (ev): -40.3818 -40.3818 -40.3230 -40.3230 -19.3507 -19.3507 -19.1444 -19.1444 -18.8546 -18.8546 -18.6883 -18.6883 -18.6329 -18.6329 -18.6257 -18.6257 4.0387 4.0387 7.3686 7.3686 9.4892 9.4892 10.6591 10.6591 10.6803 10.6803 10.7730 10.7730 11.0583 11.0583 k = 0.0000 0.0000 0.0628 ( 2051 PWs) bands (ev): -40.3814 -40.3814 -40.3234 -40.3234 -19.3487 -19.3487 -19.1456 -19.1456 -18.8533 -18.8533 -18.6879 -18.6879 -18.6333 -18.6333 -18.6279 -18.6279 4.0584 4.0584 7.3358 7.3358 9.4879 9.4879 10.6513 10.6513 10.6721 10.6721 10.7601 10.7601 11.0476 11.0476 k = 0.0000 0.0000 0.0732 ( 2057 PWs) bands (ev): -40.3808 -40.3808 -40.3240 -40.3240 -19.3465 -19.3465 -19.1471 -19.1471 -18.8517 -18.8517 -18.6874 -18.6874 -18.6338 -18.6338 -18.6306 -18.6306 4.0816 4.0816 7.2971 7.2971 9.4872 9.4872 10.6429 10.6429 10.6631 10.6631 10.7449 10.7449 11.0353 11.0353 k = 0.0000 0.0000 0.0837 ( 2063 PWs) bands (ev): -40.3802 -40.3802 -40.3246 -40.3246 -19.3439 -19.3439 -19.1488 -19.1488 -18.8500 -18.8500 -18.6868 -18.6868 -18.6344 -18.6344 -18.6336 -18.6336 4.1084 4.1084 7.2526 7.2526 9.4873 9.4873 10.6340 10.6340 10.6537 10.6537 10.7275 10.7275 11.0214 11.0214 k = 0.0000 0.0000 0.0941 ( 2063 PWs) bands (ev): -40.3795 -40.3795 -40.3253 -40.3253 -19.3410 -19.3410 -19.1507 -19.1507 -18.8480 -18.8480 -18.6862 -18.6862 -18.6369 -18.6369 -18.6350 -18.6350 4.1386 4.1386 7.2029 7.2029 9.4889 9.4889 10.6250 10.6250 10.6442 10.6442 10.7080 10.7080 11.0062 11.0062 k = 0.0000 0.0000 0.1046 ( 2063 PWs) bands (ev): -40.3788 -40.3788 -40.3260 -40.3260 -19.3378 -19.3378 -19.1528 -19.1528 -18.8457 -18.8457 -18.6854 -18.6854 -18.6406 -18.6406 -18.6358 -18.6358 4.1723 4.1723 7.1478 7.1478 9.4922 9.4922 10.6160 10.6160 10.6347 10.6347 10.6865 10.6865 10.9898 10.9898 k = 0.0000 0.0000 0.1150 ( 2057 PWs) bands (ev): -40.3780 -40.3780 -40.3269 -40.3269 -19.3343 -19.3343 -19.1550 -19.1550 -18.8432 -18.8432 -18.6847 -18.6847 -18.6444 -18.6444 -18.6366 -18.6366 4.2094 4.2094 7.0880 7.0880 9.4973 9.4973 10.6073 10.6073 10.6254 10.6254 10.6633 10.6633 10.9723 10.9723 k = 0.0000 0.0000 0.1255 ( 2057 PWs) bands (ev): -40.3771 -40.3771 -40.3278 -40.3278 -19.3305 -19.3305 -19.1576 -19.1576 -18.8405 -18.8405 -18.6838 -18.6838 -18.6487 -18.6487 -18.6375 -18.6375 4.2498 4.2498 7.0232 7.0232 9.5044 9.5044 10.5990 10.5990 10.6162 10.6162 10.6383 10.6383 10.9539 10.9539 k = 0.0000 0.0000 0.1360 ( 2069 PWs) bands (ev): -40.3761 -40.3761 -40.3288 -40.3288 -19.3265 -19.3265 -19.1603 -19.1603 -18.8376 -18.8376 -18.6830 -18.6830 -18.6534 -18.6534 -18.6384 -18.6384 4.2935 4.2935 6.9540 6.9540 9.5137 9.5137 10.5913 10.5913 10.6045 10.6045 10.6146 10.6146 10.9348 10.9349 k = 0.0000 0.0000 0.1464 ( 2057 PWs) bands (ev): -40.3751 -40.3751 -40.3298 -40.3298 -19.3221 -19.3221 -19.1633 -19.1633 -18.8343 -18.8343 -18.6820 -18.6820 -18.6582 -18.6582 -18.6394 -18.6394 4.3405 4.3405 6.8813 6.8813 9.5253 9.5253 10.5797 10.5797 10.5844 10.5844 10.6032 10.6032 10.9151 10.9152 k = 0.0000 0.0000 0.1569 ( 2057 PWs) bands (ev): -40.3740 -40.3740 -40.3309 -40.3309 -19.3176 -19.3176 -19.1664 -19.1664 -18.8309 -18.8309 -18.6810 -18.6810 -18.6633 -18.6633 -18.6404 -18.6404 4.3907 4.3907 6.8045 6.8045 9.5392 9.5392 10.5496 10.5496 10.5783 10.5783 10.5963 10.5963 10.8950 10.8956 k = 0.0000 0.0000 0.1673 ( 2057 PWs) bands (ev): -40.3728 -40.3728 -40.3321 -40.3321 -19.3128 -19.3128 -19.1698 -19.1698 -18.8272 -18.8272 -18.6799 -18.6799 -18.6687 -18.6687 -18.6415 -18.6415 4.4440 4.4440 6.7245 6.7245 9.5555 9.5555 10.5176 10.5176 10.5732 10.5732 10.5908 10.5908 10.8746 10.8747 k = 0.0000 0.0000 0.1778 ( 2069 PWs) bands (ev): -40.3716 -40.3716 -40.3333 -40.3333 -19.3080 -19.3080 -19.1734 -19.1734 -18.8234 -18.8234 -18.6789 -18.6789 -18.6743 -18.6743 -18.6427 -18.6427 4.5004 4.5004 6.6416 6.6416 9.5740 9.5740 10.4841 10.4841 10.5690 10.5690 10.5863 10.5863 10.8539 10.8541 k = 0.0000 0.0000 0.1883 ( 2075 PWs) bands (ev): -40.3704 -40.3704 -40.3345 -40.3345 -19.3029 -19.3029 -19.1772 -19.1772 -18.8193 -18.8193 -18.6801 -18.6801 -18.6777 -18.6777 -18.6439 -18.6439 4.5597 4.5597 6.5563 6.5563 9.5947 9.5947 10.4492 10.4492 10.5660 10.5660 10.5830 10.5830 10.8335 10.8335 k = 0.0000 0.0000 0.1987 ( 2075 PWs) bands (ev): -40.3690 -40.3690 -40.3359 -40.3359 -19.2976 -19.2976 -19.1812 -19.1812 -18.8150 -18.8150 -18.6860 -18.6860 -18.6764 -18.6764 -18.6451 -18.6451 4.6220 4.6220 6.4689 6.4689 9.6177 9.6177 10.4132 10.4132 10.5641 10.5641 10.5810 10.5810 10.8129 10.8131 k = 0.0000 0.0000 0.2092 ( 2074 PWs) bands (ev): -40.3677 -40.3677 -40.3372 -40.3372 -19.2923 -19.2923 -19.1853 -19.1853 -18.8105 -18.8105 -18.6920 -18.6920 -18.6752 -18.6752 -18.6464 -18.6464 4.6871 4.6871 6.3800 6.3800 9.6428 9.6428 10.3762 10.3762 10.5635 10.5635 10.5802 10.5802 10.7927 10.7927 k = 0.0000 0.0000 0.2196 ( 2074 PWs) bands (ev): -40.3663 -40.3663 -40.3386 -40.3386 -19.2868 -19.2868 -19.1896 -19.1896 -18.8058 -18.8058 -18.6982 -18.6982 -18.6738 -18.6738 -18.6477 -18.6477 4.7550 4.7550 6.2897 6.2897 9.6699 9.6699 10.3383 10.3383 10.5640 10.5640 10.5806 10.5806 10.7729 10.7730 k = 0.0000 0.0000 0.2301 ( 2068 PWs) bands (ev): -40.3649 -40.3649 -40.3401 -40.3401 -19.2811 -19.2811 -19.1941 -19.1941 -18.8008 -18.8008 -18.7045 -18.7045 -18.6725 -18.6725 -18.6491 -18.6491 4.8255 4.8255 6.1986 6.1986 9.6989 9.6989 10.2997 10.2997 10.5658 10.5658 10.5824 10.5824 10.7534 10.7535 k = 0.0000 0.0000 0.2405 ( 2068 PWs) bands (ev): -40.3634 -40.3634 -40.3416 -40.3416 -19.2755 -19.2755 -19.1988 -19.1988 -18.7957 -18.7957 -18.7108 -18.7108 -18.6711 -18.6711 -18.6505 -18.6505 4.8985 4.8985 6.1067 6.1067 9.7295 9.7295 10.2604 10.2604 10.5689 10.5689 10.5854 10.5854 10.7345 10.7348 k = 0.0000 0.0000 0.2510 ( 2080 PWs) bands (ev): -40.3619 -40.3619 -40.3431 -40.3431 -19.2698 -19.2698 -19.2037 -19.2037 -18.7904 -18.7904 -18.7173 -18.7173 -18.6697 -18.6697 -18.6519 -18.6519 4.9739 4.9739 6.0145 6.0145 9.7618 9.7618 10.2207 10.2207 10.5732 10.5732 10.5896 10.5896 10.7163 10.7163 k = 0.0000 0.0000 0.2615 ( 2080 PWs) bands (ev): -40.3604 -40.3604 -40.3446 -40.3446 -19.2640 -19.2640 -19.2087 -19.2087 -18.7850 -18.7850 -18.7237 -18.7237 -18.6682 -18.6682 -18.6534 -18.6534 5.0517 5.0517 5.9223 5.9223 9.7955 9.7955 10.1807 10.1807 10.5787 10.5787 10.5952 10.5952 10.6988 10.6988 k = 0.0000 0.0000 0.2719 ( 2080 PWs) bands (ev): -40.3588 -40.3588 -40.3461 -40.3461 -19.2583 -19.2583 -19.2138 -19.2138 -18.7793 -18.7793 -18.7301 -18.7301 -18.6668 -18.6668 -18.6549 -18.6549 5.1316 5.1316 5.8304 5.8304 9.8305 9.8305 10.1405 10.1405 10.5856 10.5856 10.6021 10.6021 10.6821 10.6823 k = 0.0000 0.0000 0.2824 ( 2092 PWs) bands (ev): -40.3572 -40.3572 -40.3477 -40.3477 -19.2525 -19.2525 -19.2192 -19.2192 -18.7736 -18.7736 -18.7366 -18.7366 -18.6653 -18.6653 -18.6564 -18.6564 5.2135 5.2135 5.7389 5.7389 9.8667 9.8667 10.1002 10.1002 10.5936 10.5936 10.6102 10.6102 10.6663 10.6666 k = 0.0000 0.0000 0.2928 ( 2092 PWs) bands (ev): -40.3557 -40.3557 -40.3493 -40.3493 -19.2468 -19.2468 -19.2245 -19.2245 -18.7677 -18.7677 -18.7430 -18.7430 -18.6638 -18.6638 -18.6579 -18.6579 5.2973 5.2973 5.6483 5.6483 9.9040 9.9040 10.0601 10.0601 10.6029 10.6029 10.6195 10.6195 10.6515 10.6519 k = 0.0000 0.0000 0.3033 ( 2098 PWs) bands (ev): -40.3541 -40.3541 -40.3509 -40.3509 -19.2412 -19.2412 -19.2300 -19.2300 -18.7617 -18.7617 -18.7493 -18.7493 -18.6624 -18.6624 -18.6594 -18.6594 5.3829 5.3829 5.5586 5.5586 9.9420 9.9420 10.0203 10.0203 10.6133 10.6133 10.6300 10.6300 10.6377 10.6377 k = 0.0000 0.0000 0.3138 ( 2098 PWs) bands (ev): -40.3525 -40.3525 -40.3525 -40.3525 -19.2355 -19.2355 -19.2355 -19.2355 -18.7555 -18.7555 -18.7555 -18.7555 -18.6609 -18.6609 -18.6609 -18.6609 5.4700 5.4700 5.4700 5.4700 9.9809 9.9809 9.9809 9.9809 10.6250 10.6250 10.6250 10.6251 10.6418 10.6418 k = 0.0000 0.0000 0.3138 ( 2098 PWs) bands (ev): -40.3525 -40.3525 -40.3525 -40.3525 -19.2355 -19.2355 -19.2355 -19.2355 -18.7555 -18.7555 -18.7555 -18.7555 -18.6609 -18.6609 -18.6609 -18.6609 5.4700 5.4700 5.4700 5.4700 9.9809 9.9809 9.9809 9.9809 10.6250 10.6250 10.6250 10.6251 10.6418 10.6418 k = 0.0091 0.0052 0.3138 ( 2092 PWs) bands (ev): -40.3525 -40.3525 -40.3525 -40.3525 -19.2356 -19.2356 -19.2356 -19.2356 -18.7556 -18.7556 -18.7556 -18.7556 -18.6610 -18.6610 -18.6610 -18.6610 5.4716 5.4716 5.4716 5.4716 9.9801 9.9801 9.9801 9.9801 10.6250 10.6250 10.6250 10.6251 10.6419 10.6419 k = 0.0182 0.0105 0.3138 ( 2092 PWs) bands (ev): -40.3524 -40.3524 -40.3524 -40.3524 -19.2358 -19.2358 -19.2358 -19.2358 -18.7558 -18.7558 -18.7558 -18.7558 -18.6613 -18.6613 -18.6613 -18.6613 5.4764 5.4764 5.4764 5.4764 9.9779 9.9779 9.9779 9.9779 10.6247 10.6247 10.6247 10.6248 10.6430 10.6430 k = 0.0273 0.0157 0.3138 ( 2084 PWs) bands (ev): -40.3522 -40.3522 -40.3522 -40.3522 -19.2361 -19.2361 -19.2361 -19.2361 -18.7561 -18.7561 -18.7561 -18.7561 -18.6617 -18.6617 -18.6617 -18.6617 5.4844 5.4844 5.4844 5.4844 9.9742 9.9742 9.9742 9.9742 10.6228 10.6228 10.6228 10.6229 10.6461 10.6461 k = 0.0364 0.0210 0.3138 ( 2080 PWs) bands (ev): -40.3521 -40.3521 -40.3521 -40.3521 -19.2366 -19.2366 -19.2366 -19.2366 -18.7566 -18.7566 -18.7566 -18.7566 -18.6624 -18.6624 -18.6624 -18.6624 5.4955 5.4955 5.4955 5.4955 9.9689 9.9689 9.9689 9.9689 10.6186 10.6186 10.6186 10.6186 10.6519 10.6519 k = 0.0455 0.0262 0.3138 ( 2074 PWs) bands (ev): -40.3518 -40.3518 -40.3518 -40.3518 -19.2371 -19.2371 -19.2371 -19.2371 -18.7572 -18.7572 -18.7572 -18.7572 -18.6632 -18.6632 -18.6632 -18.6632 5.5097 5.5097 5.5097 5.5097 9.9622 9.9622 9.9622 9.9622 10.6123 10.6123 10.6124 10.6124 10.6601 10.6601 k = 0.0545 0.0315 0.3138 ( 2074 PWs) bands (ev): -40.3515 -40.3515 -40.3515 -40.3515 -19.2379 -19.2379 -19.2379 -19.2379 -18.7579 -18.7579 -18.7579 -18.7579 -18.6643 -18.6643 -18.6643 -18.6643 5.5271 5.5271 5.5271 5.5271 9.9541 9.9541 9.9541 9.9541 10.6043 10.6043 10.6043 10.6043 10.6706 10.6706 k = 0.0636 0.0367 0.3138 ( 2074 PWs) bands (ev): -40.3512 -40.3512 -40.3512 -40.3512 -19.2387 -19.2387 -19.2387 -19.2387 -18.7588 -18.7588 -18.7588 -18.7588 -18.6655 -18.6655 -18.6655 -18.6655 5.5475 5.5475 5.5475 5.5475 9.9446 9.9446 9.9446 9.9446 10.5946 10.5946 10.5946 10.5946 10.6832 10.6832 k = 0.0727 0.0420 0.3138 ( 2072 PWs) bands (ev): -40.3508 -40.3508 -40.3508 -40.3508 -19.2397 -19.2397 -19.2397 -19.2397 -18.7599 -18.7599 -18.7599 -18.7599 -18.6669 -18.6669 -18.6669 -18.6669 5.5710 5.5710 5.5710 5.5710 9.9338 9.9338 9.9338 9.9338 10.5834 10.5834 10.5834 10.5834 10.6977 10.6977 k = 0.0818 0.0472 0.3138 ( 2056 PWs) bands (ev): -40.3503 -40.3503 -40.3503 -40.3503 -19.2408 -19.2408 -19.2408 -19.2408 -18.7610 -18.7610 -18.7610 -18.7610 -18.6683 -18.6683 -18.6683 -18.6683 5.5975 5.5975 5.5975 5.5975 9.9217 9.9217 9.9217 9.9217 10.5709 10.5709 10.5709 10.5709 10.7141 10.7141 k = 0.0909 0.0525 0.3138 ( 2056 PWs) bands (ev): -40.3499 -40.3499 -40.3499 -40.3499 -19.2421 -19.2421 -19.2421 -19.2421 -18.7623 -18.7623 -18.7623 -18.7623 -18.6699 -18.6699 -18.6699 -18.6699 5.6269 5.6269 5.6269 5.6269 9.9084 9.9084 9.9084 9.9084 10.5570 10.5570 10.5570 10.5570 10.7323 10.7323 k = 0.1000 0.0577 0.3138 ( 2060 PWs) bands (ev): -40.3493 -40.3493 -40.3493 -40.3493 -19.2435 -19.2435 -19.2435 -19.2435 -18.7638 -18.7638 -18.7638 -18.7638 -18.6717 -18.6717 -18.6717 -18.6717 5.6592 5.6592 5.6592 5.6592 9.8938 9.8938 9.8938 9.8938 10.5419 10.5419 10.5419 10.5419 10.7521 10.7521 k = 0.1091 0.0630 0.3138 ( 2058 PWs) bands (ev): -40.3487 -40.3487 -40.3487 -40.3487 -19.2450 -19.2450 -19.2450 -19.2450 -18.7655 -18.7655 -18.7655 -18.7655 -18.6736 -18.6736 -18.6736 -18.6736 5.6943 5.6943 5.6943 5.6943 9.8781 9.8781 9.8781 9.8781 10.5258 10.5258 10.5258 10.5258 10.7736 10.7736 k = 0.1182 0.0682 0.3138 ( 2054 PWs) bands (ev): -40.3481 -40.3481 -40.3481 -40.3481 -19.2467 -19.2467 -19.2467 -19.2467 -18.7672 -18.7672 -18.7672 -18.7672 -18.6755 -18.6755 -18.6755 -18.6755 5.7321 5.7321 5.7321 5.7321 9.8613 9.8613 9.8613 9.8613 10.5086 10.5086 10.5087 10.5087 10.7966 10.7966 k = 0.1273 0.0735 0.3138 ( 2050 PWs) bands (ev): -40.3475 -40.3475 -40.3475 -40.3475 -19.2485 -19.2485 -19.2485 -19.2485 -18.7691 -18.7691 -18.7691 -18.7691 -18.6774 -18.6774 -18.6774 -18.6774 5.7726 5.7726 5.7726 5.7726 9.8435 9.8435 9.8435 9.8435 10.4907 10.4907 10.4907 10.4907 10.8212 10.8212 k = 0.1364 0.0787 0.3138 ( 2054 PWs) bands (ev): -40.3468 -40.3468 -40.3468 -40.3468 -19.2504 -19.2504 -19.2504 -19.2504 -18.7713 -18.7713 -18.7713 -18.7713 -18.6795 -18.6795 -18.6795 -18.6795 5.8156 5.8156 5.8156 5.8156 9.8246 9.8246 9.8246 9.8246 10.4721 10.4721 10.4721 10.4721 10.8469 10.8469 k = 0.1455 0.0840 0.3138 ( 2054 PWs) bands (ev): -40.3460 -40.3460 -40.3460 -40.3460 -19.2525 -19.2525 -19.2525 -19.2525 -18.7735 -18.7735 -18.7735 -18.7735 -18.6815 -18.6815 -18.6815 -18.6815 5.8611 5.8611 5.8611 5.8611 9.8048 9.8048 9.8048 9.8048 10.4531 10.4531 10.4531 10.4531 10.8739 10.8739 k = 0.1545 0.0892 0.3138 ( 2058 PWs) bands (ev): -40.3453 -40.3453 -40.3453 -40.3453 -19.2547 -19.2547 -19.2547 -19.2547 -18.7759 -18.7759 -18.7759 -18.7759 -18.6836 -18.6836 -18.6836 -18.6836 5.9090 5.9090 5.9090 5.9090 9.7841 9.7841 9.7841 9.7841 10.4337 10.4337 10.4337 10.4337 10.9020 10.9020 k = 0.1636 0.0945 0.3138 ( 2058 PWs) bands (ev): -40.3445 -40.3445 -40.3445 -40.3445 -19.2570 -19.2570 -19.2570 -19.2570 -18.7784 -18.7784 -18.7784 -18.7784 -18.6857 -18.6857 -18.6857 -18.6857 5.9591 5.9591 5.9591 5.9591 9.7625 9.7625 9.7625 9.7625 10.4141 10.4142 10.4142 10.4142 10.9309 10.9309 k = 0.1727 0.0997 0.3138 ( 2058 PWs) bands (ev): -40.3437 -40.3437 -40.3437 -40.3437 -19.2594 -19.2594 -19.2594 -19.2594 -18.7810 -18.7810 -18.7810 -18.7810 -18.6877 -18.6877 -18.6877 -18.6877 6.0113 6.0113 6.0113 6.0113 9.7401 9.7401 9.7401 9.7401 10.3947 10.3947 10.3947 10.3947 10.9607 10.9607 k = 0.1818 0.1050 0.3138 ( 2062 PWs) bands (ev): -40.3428 -40.3428 -40.3428 -40.3428 -19.2620 -19.2620 -19.2620 -19.2620 -18.7838 -18.7838 -18.7838 -18.7838 -18.6897 -18.6897 -18.6897 -18.6897 6.0656 6.0656 6.0656 6.0656 9.7170 9.7170 9.7170 9.7170 10.3754 10.3754 10.3754 10.3754 10.9911 10.9911 k = 0.1909 0.1102 0.3138 ( 2062 PWs) bands (ev): -40.3419 -40.3419 -40.3419 -40.3419 -19.2647 -19.2647 -19.2647 -19.2647 -18.7867 -18.7867 -18.7867 -18.7867 -18.6917 -18.6917 -18.6917 -18.6917 6.1217 6.1217 6.1217 6.1217 9.6931 9.6931 9.6931 9.6931 10.3566 10.3566 10.3566 10.3566 11.0219 11.0219 k = 0.2000 0.1155 0.3138 ( 2058 PWs) bands (ev): -40.3410 -40.3410 -40.3410 -40.3410 -19.2674 -19.2674 -19.2674 -19.2674 -18.7897 -18.7897 -18.7897 -18.7897 -18.6936 -18.6936 -18.6936 -18.6936 6.1795 6.1795 6.1795 6.1795 9.6687 9.6687 9.6687 9.6687 10.3383 10.3383 10.3383 10.3383 11.0529 11.0529 k = 0.2091 0.1207 0.3138 ( 2062 PWs) bands (ev): -40.3401 -40.3401 -40.3401 -40.3401 -19.2703 -19.2703 -19.2703 -19.2703 -18.7928 -18.7928 -18.7928 -18.7928 -18.6955 -18.6955 -18.6955 -18.6955 6.2388 6.2388 6.2388 6.2388 9.6437 9.6437 9.6437 9.6437 10.3207 10.3207 10.3207 10.3207 11.0840 11.0840 k = 0.2182 0.1260 0.3138 ( 2054 PWs) bands (ev): -40.3392 -40.3392 -40.3392 -40.3392 -19.2732 -19.2732 -19.2732 -19.2732 -18.7959 -18.7959 -18.7959 -18.7959 -18.6972 -18.6972 -18.6972 -18.6972 6.2995 6.2995 6.2995 6.2995 9.6183 9.6183 9.6183 9.6183 10.3040 10.3040 10.3040 10.3040 11.1149 11.1149 k = 0.2273 0.1312 0.3138 ( 2054 PWs) bands (ev): -40.3383 -40.3383 -40.3383 -40.3383 -19.2762 -19.2762 -19.2762 -19.2762 -18.7992 -18.7992 -18.7992 -18.7992 -18.6989 -18.6989 -18.6989 -18.6989 6.3613 6.3613 6.3613 6.3613 9.5925 9.5925 9.5925 9.5925 10.2883 10.2883 10.2883 10.2883 11.1454 11.1454 k = 0.2364 0.1365 0.3138 ( 2054 PWs) bands (ev): -40.3373 -40.3373 -40.3373 -40.3373 -19.2793 -19.2793 -19.2793 -19.2793 -18.8025 -18.8025 -18.8025 -18.8025 -18.7006 -18.7006 -18.7006 -18.7006 6.4241 6.4241 6.4241 6.4241 9.5665 9.5665 9.5665 9.5665 10.2737 10.2737 10.2737 10.2737 11.1753 11.1753 k = 0.2455 0.1417 0.3138 ( 2054 PWs) bands (ev): -40.3364 -40.3364 -40.3364 -40.3364 -19.2825 -19.2825 -19.2825 -19.2825 -18.8058 -18.8058 -18.8058 -18.8058 -18.7021 -18.7021 -18.7021 -18.7021 6.4877 6.4877 6.4877 6.4877 9.5403 9.5403 9.5403 9.5403 10.2603 10.2603 10.2603 10.2603 11.2043 11.2043 k = 0.2545 0.1470 0.3138 ( 2062 PWs) bands (ev): -40.3355 -40.3355 -40.3355 -40.3355 -19.2858 -19.2858 -19.2858 -19.2858 -18.8092 -18.8092 -18.8092 -18.8092 -18.7037 -18.7037 -18.7037 -18.7037 6.5519 6.5519 6.5519 6.5519 9.5141 9.5141 9.5141 9.5141 10.2482 10.2482 10.2482 10.2482 11.2322 11.2322 k = 0.2636 0.1522 0.3138 ( 2066 PWs) bands (ev): -40.3345 -40.3345 -40.3345 -40.3345 -19.2891 -19.2891 -19.2891 -19.2891 -18.8126 -18.8126 -18.8126 -18.8126 -18.7051 -18.7051 -18.7051 -18.7051 6.6163 6.6163 6.6163 6.6163 9.4880 9.4880 9.4880 9.4880 10.2375 10.2375 10.2375 10.2375 11.2589 11.2589 k = 0.2727 0.1575 0.3138 ( 2070 PWs) bands (ev): -40.3336 -40.3336 -40.3336 -40.3336 -19.2924 -19.2924 -19.2924 -19.2924 -18.8159 -18.8159 -18.8159 -18.8159 -18.7065 -18.7065 -18.7065 -18.7065 6.6808 6.6808 6.6808 6.6808 9.4621 9.4621 9.4621 9.4621 10.2282 10.2282 10.2282 10.2282 11.2841 11.2841 k = 0.2818 0.1627 0.3138 ( 2070 PWs) bands (ev): -40.3326 -40.3326 -40.3326 -40.3326 -19.2958 -19.2958 -19.2958 -19.2958 -18.8193 -18.8193 -18.8193 -18.8193 -18.7077 -18.7077 -18.7077 -18.7077 6.7452 6.7452 6.7452 6.7452 9.4367 9.4367 9.4367 9.4367 10.2205 10.2205 10.2205 10.2205 11.3078 11.3078 k = 0.2909 0.1680 0.3138 ( 2062 PWs) bands (ev): -40.3317 -40.3317 -40.3317 -40.3317 -19.2991 -19.2991 -19.2991 -19.2991 -18.8225 -18.8225 -18.8225 -18.8225 -18.7089 -18.7089 -18.7089 -18.7089 6.8092 6.8092 6.8092 6.8092 9.4118 9.4118 9.4118 9.4118 10.2144 10.2144 10.2144 10.2144 11.3297 11.3297 k = 0.3000 0.1732 0.3138 ( 2062 PWs) bands (ev): -40.3308 -40.3308 -40.3308 -40.3308 -19.3024 -19.3024 -19.3024 -19.3024 -18.8258 -18.8258 -18.8258 -18.8258 -18.7100 -18.7100 -18.7100 -18.7100 6.8724 6.8724 6.8724 6.8724 9.3874 9.3874 9.3874 9.3874 10.2097 10.2097 10.2097 10.2097 11.3499 11.3499 k = 0.3091 0.1785 0.3138 ( 2068 PWs) bands (ev): -40.3299 -40.3299 -40.3299 -40.3299 -19.3058 -19.3058 -19.3058 -19.3058 -18.8290 -18.8290 -18.8290 -18.8290 -18.7111 -18.7111 -18.7111 -18.7111 6.9347 6.9347 6.9347 6.9347 9.3639 9.3639 9.3639 9.3639 10.2066 10.2066 10.2066 10.2066 11.3682 11.3682 k = 0.3182 0.1837 0.3138 ( 2064 PWs) bands (ev): -40.3290 -40.3290 -40.3290 -40.3290 -19.3091 -19.3091 -19.3091 -19.3091 -18.8321 -18.8321 -18.8321 -18.8321 -18.7121 -18.7121 -18.7121 -18.7121 6.9958 6.9958 6.9958 6.9958 9.3412 9.3412 9.3412 9.3412 10.2051 10.2051 10.2051 10.2051 11.3846 11.3846 k = 0.3273 0.1890 0.3138 ( 2068 PWs) bands (ev): -40.3282 -40.3282 -40.3282 -40.3282 -19.3123 -19.3123 -19.3123 -19.3123 -18.8351 -18.8351 -18.8351 -18.8351 -18.7130 -18.7130 -18.7130 -18.7130 7.0552 7.0552 7.0552 7.0552 9.3194 9.3194 9.3194 9.3194 10.2050 10.2050 10.2050 10.2050 11.3993 11.3993 k = 0.3364 0.1942 0.3138 ( 2068 PWs) bands (ev): -40.3273 -40.3273 -40.3273 -40.3273 -19.3155 -19.3155 -19.3155 -19.3155 -18.8380 -18.8380 -18.8380 -18.8380 -18.7138 -18.7138 -18.7138 -18.7138 7.1130 7.1130 7.1130 7.1130 9.2988 9.2988 9.2988 9.2988 10.2065 10.2065 10.2065 10.2065 11.4122 11.4122 k = 0.3455 0.1994 0.3138 ( 2076 PWs) bands (ev): -40.3265 -40.3265 -40.3265 -40.3265 -19.3187 -19.3187 -19.3187 -19.3187 -18.8409 -18.8409 -18.8409 -18.8409 -18.7147 -18.7147 -18.7147 -18.7147 7.1687 7.1687 7.1687 7.1687 9.2793 9.2793 9.2793 9.2793 10.2094 10.2094 10.2094 10.2094 11.4235 11.4235 k = 0.3545 0.2047 0.3138 ( 2076 PWs) bands (ev): -40.3258 -40.3258 -40.3258 -40.3258 -19.3218 -19.3218 -19.3218 -19.3218 -18.8436 -18.8436 -18.8436 -18.8436 -18.7154 -18.7154 -18.7154 -18.7154 7.2221 7.2221 7.2221 7.2221 9.2610 9.2610 9.2610 9.2610 10.2136 10.2136 10.2136 10.2136 11.4332 11.4332 k = 0.3636 0.2099 0.3138 ( 2080 PWs) bands (ev): -40.3250 -40.3250 -40.3250 -40.3250 -19.3247 -19.3247 -19.3247 -19.3247 -18.8461 -18.8461 -18.8461 -18.8461 -18.7161 -18.7161 -18.7161 -18.7161 7.2729 7.2729 7.2729 7.2729 9.2440 9.2440 9.2440 9.2440 10.2191 10.2191 10.2191 10.2191 11.4416 11.4416 k = 0.3727 0.2152 0.3138 ( 2084 PWs) bands (ev): -40.3243 -40.3243 -40.3243 -40.3243 -19.3276 -19.3276 -19.3276 -19.3276 -18.8486 -18.8486 -18.8486 -18.8486 -18.7167 -18.7167 -18.7167 -18.7167 7.3210 7.3210 7.3210 7.3210 9.2283 9.2283 9.2283 9.2283 10.2256 10.2256 10.2256 10.2256 11.4487 11.4487 k = 0.3818 0.2204 0.3138 ( 2078 PWs) bands (ev): -40.3237 -40.3237 -40.3237 -40.3237 -19.3302 -19.3302 -19.3302 -19.3302 -18.8509 -18.8509 -18.8509 -18.8509 -18.7172 -18.7172 -18.7172 -18.7172 7.3663 7.3663 7.3663 7.3663 9.2140 9.2140 9.2140 9.2140 10.2333 10.2333 10.2333 10.2333 11.4546 11.4546 k = 0.3909 0.2257 0.3138 ( 2084 PWs) bands (ev): -40.3231 -40.3231 -40.3231 -40.3231 -19.3328 -19.3328 -19.3328 -19.3328 -18.8530 -18.8530 -18.8530 -18.8530 -18.7178 -18.7178 -18.7178 -18.7178 7.4084 7.4084 7.4084 7.4084 9.2009 9.2009 9.2009 9.2009 10.2416 10.2416 10.2416 10.2416 11.4596 11.4596 k = 0.4000 0.2309 0.3138 ( 2080 PWs) bands (ev): -40.3225 -40.3225 -40.3225 -40.3225 -19.3352 -19.3352 -19.3352 -19.3352 -18.8550 -18.8550 -18.8550 -18.8550 -18.7182 -18.7182 -18.7182 -18.7182 7.4473 7.4473 7.4473 7.4473 9.1892 9.1892 9.1892 9.1893 10.2506 10.2506 10.2506 10.2506 11.4637 11.4637 k = 0.4091 0.2362 0.3138 ( 2084 PWs) bands (ev): -40.3219 -40.3219 -40.3219 -40.3219 -19.3375 -19.3375 -19.3375 -19.3375 -18.8569 -18.8569 -18.8569 -18.8569 -18.7186 -18.7186 -18.7186 -18.7186 7.4828 7.4828 7.4828 7.4828 9.1789 9.1789 9.1789 9.1789 10.2599 10.2599 10.2599 10.2599 11.4670 11.4670 k = 0.4182 0.2414 0.3138 ( 2088 PWs) bands (ev): -40.3215 -40.3215 -40.3215 -40.3215 -19.3395 -19.3395 -19.3395 -19.3395 -18.8586 -18.8586 -18.8586 -18.8586 -18.7190 -18.7190 -18.7190 -18.7190 7.5149 7.5149 7.5149 7.5149 9.1697 9.1697 9.1697 9.1697 10.2694 10.2694 10.2694 10.2694 11.4697 11.4697 k = 0.4273 0.2467 0.3138 ( 2088 PWs) bands (ev): -40.3210 -40.3210 -40.3210 -40.3210 -19.3414 -19.3414 -19.3414 -19.3414 -18.8601 -18.8601 -18.8601 -18.8601 -18.7193 -18.7193 -18.7193 -18.7193 7.5436 7.5436 7.5436 7.5436 9.1618 9.1618 9.1618 9.1618 10.2788 10.2788 10.2788 10.2789 11.4719 11.4719 k = 0.4364 0.2519 0.3138 ( 2088 PWs) bands (ev): -40.3206 -40.3206 -40.3206 -40.3206 -19.3431 -19.3431 -19.3431 -19.3431 -18.8614 -18.8614 -18.8614 -18.8614 -18.7196 -18.7196 -18.7196 -18.7196 7.5689 7.5689 7.5689 7.5689 9.1550 9.1550 9.1550 9.1550 10.2879 10.2879 10.2879 10.2879 11.4736 11.4736 k = 0.4455 0.2572 0.3138 ( 2080 PWs) bands (ev): -40.3203 -40.3203 -40.3203 -40.3203 -19.3445 -19.3445 -19.3445 -19.3445 -18.8625 -18.8625 -18.8625 -18.8625 -18.7199 -18.7199 -18.7199 -18.7199 7.5908 7.5908 7.5908 7.5908 9.1494 9.1494 9.1494 9.1494 10.2964 10.2964 10.2964 10.2964 11.4749 11.4749 k = 0.4545 0.2624 0.3138 ( 2080 PWs) bands (ev): -40.3200 -40.3200 -40.3200 -40.3200 -19.3458 -19.3458 -19.3458 -19.3458 -18.8635 -18.8635 -18.8635 -18.8635 -18.7201 -18.7201 -18.7201 -18.7201 7.6092 7.6092 7.6092 7.6092 9.1447 9.1447 9.1447 9.1447 10.3041 10.3041 10.3041 10.3041 11.4759 11.4759 k = 0.4636 0.2677 0.3138 ( 2080 PWs) bands (ev): -40.3197 -40.3197 -40.3197 -40.3197 -19.3468 -19.3468 -19.3468 -19.3468 -18.8643 -18.8643 -18.8643 -18.8643 -18.7202 -18.7202 -18.7202 -18.7202 7.6241 7.6241 7.6241 7.6241 9.1410 9.1410 9.1410 9.1410 10.3107 10.3107 10.3107 10.3107 11.4766 11.4766 k = 0.4727 0.2729 0.3138 ( 2080 PWs) bands (ev): -40.3195 -40.3195 -40.3195 -40.3195 -19.3476 -19.3476 -19.3476 -19.3476 -18.8649 -18.8649 -18.8649 -18.8649 -18.7204 -18.7204 -18.7204 -18.7204 7.6358 7.6358 7.6358 7.6358 9.1381 9.1381 9.1381 9.1381 10.3160 10.3160 10.3160 10.3160 11.4771 11.4771 k = 0.4818 0.2782 0.3138 ( 2080 PWs) bands (ev): -40.3194 -40.3194 -40.3194 -40.3194 -19.3482 -19.3482 -19.3482 -19.3482 -18.8654 -18.8654 -18.8654 -18.8654 -18.7205 -18.7205 -18.7205 -18.7205 7.6441 7.6441 7.6441 7.6441 9.1361 9.1361 9.1361 9.1361 10.3200 10.3200 10.3200 10.3200 11.4775 11.4775 k = 0.4909 0.2834 0.3138 ( 2084 PWs) bands (ev): -40.3193 -40.3193 -40.3193 -40.3193 -19.3486 -19.3486 -19.3486 -19.3486 -18.8657 -18.8657 -18.8657 -18.8657 -18.7205 -18.7205 -18.7205 -18.7205 7.6490 7.6490 7.6490 7.6490 9.1349 9.1349 9.1349 9.1349 10.3224 10.3224 10.3224 10.3224 11.4777 11.4777 k = 0.5000 0.2887 0.3138 ( 2084 PWs) bands (ev): -40.3193 -40.3193 -40.3193 -40.3193 -19.3487 -19.3487 -19.3487 -19.3487 -18.8658 -18.8658 -18.8658 -18.8658 -18.7205 -18.7205 -18.7205 -18.7205 7.6507 7.6507 7.6507 7.6507 9.1345 9.1345 9.1345 9.1345 10.3232 10.3232 10.3232 10.3232 11.4778 11.4778 k = 0.5000 0.2887 0.3138 ( 2084 PWs) bands (ev): -40.3193 -40.3193 -40.3193 -40.3193 -19.3487 -19.3487 -19.3487 -19.3487 -18.8658 -18.8658 -18.8658 -18.8658 -18.7205 -18.7205 -18.7205 -18.7205 7.6507 7.6507 7.6507 7.6507 9.1345 9.1345 9.1345 9.1345 10.3232 10.3232 10.3232 10.3232 11.4778 11.4778 k = 0.4948 0.2977 0.3138 ( 2080 PWs) bands (ev): -40.3193 -40.3193 -40.3193 -40.3193 -19.3491 -19.3491 -19.3483 -19.3483 -18.8675 -18.8675 -18.8641 -18.8641 -18.7219 -18.7219 -18.7193 -18.7193 7.6520 7.6520 7.6523 7.6523 9.1349 9.1349 9.1354 9.1354 10.3192 10.3192 10.3202 10.3202 11.4783 11.4788 k = 0.4896 0.3067 0.3138 ( 2080 PWs) bands (ev): -40.3193 -40.3193 -40.3193 -40.3193 -19.3494 -19.3494 -19.3478 -19.3478 -18.8693 -18.8693 -18.8625 -18.8625 -18.7234 -18.7234 -18.7182 -18.7182 7.6564 7.6564 7.6569 7.6569 9.1364 9.1364 9.1373 9.1373 10.3083 10.3083 10.3102 10.3102 11.4808 11.4833 k = 0.4844 0.3157 0.3138 ( 2076 PWs) bands (ev): -40.3192 -40.3192 -40.3192 -40.3192 -19.3497 -19.3497 -19.3473 -19.3473 -18.8712 -18.8712 -18.8609 -18.8609 -18.7250 -18.7250 -18.7171 -18.7171 7.6637 7.6637 7.6645 7.6645 9.1390 9.1390 9.1404 9.1404 10.2909 10.2909 10.2937 10.2937 11.4856 11.4886 k = 0.4792 0.3248 0.3138 ( 2076 PWs) bands (ev): -40.3192 -40.3192 -40.3192 -40.3192 -19.3500 -19.3500 -19.3468 -19.3468 -18.8731 -18.8731 -18.8594 -18.8594 -18.7268 -18.7268 -18.7163 -18.7163 7.6740 7.6740 7.6751 7.6751 9.1426 9.1426 9.1445 9.1445 10.2674 10.2674 10.2709 10.2709 11.4904 11.4924 k = 0.4740 0.3338 0.3138 ( 2078 PWs) bands (ev): -40.3191 -40.3191 -40.3191 -40.3191 -19.3503 -19.3503 -19.3463 -19.3463 -18.8751 -18.8751 -18.8580 -18.8580 -18.7286 -18.7286 -18.7155 -18.7155 7.6872 7.6872 7.6886 7.6886 9.1473 9.1473 9.1497 9.1497 10.2384 10.2384 10.2427 10.2427 11.4964 11.4974 k = 0.4688 0.3428 0.3138 ( 2082 PWs) bands (ev): -40.3190 -40.3190 -40.3190 -40.3190 -19.3505 -19.3505 -19.3458 -19.3458 -18.8771 -18.8771 -18.8567 -18.8567 -18.7306 -18.7306 -18.7149 -18.7149 7.7032 7.7032 7.7048 7.7048 9.1529 9.1529 9.1558 9.1558 10.2045 10.2045 10.2095 10.2095 11.5018 11.5057 k = 0.4635 0.3518 0.3138 ( 2088 PWs) bands (ev): -40.3189 -40.3189 -40.3189 -40.3189 -19.3507 -19.3507 -19.3453 -19.3453 -18.8792 -18.8792 -18.8554 -18.8554 -18.7327 -18.7327 -18.7144 -18.7144 7.7221 7.7221 7.7240 7.7240 9.1595 9.1595 9.1629 9.1629 10.1666 10.1666 10.1721 10.1721 11.5065 11.5070 k = 0.4583 0.3608 0.3138 ( 2088 PWs) bands (ev): -40.3188 -40.3188 -40.3188 -40.3188 -19.3509 -19.3509 -19.3447 -19.3447 -18.8813 -18.8813 -18.8542 -18.8542 -18.7348 -18.7348 -18.7139 -18.7139 7.7438 7.7438 7.7459 7.7459 9.1670 9.1670 9.1709 9.1709 10.1251 10.1251 10.1312 10.1312 11.5108 11.5137 k = 0.4531 0.3699 0.3138 ( 2088 PWs) bands (ev): -40.3186 -40.3186 -40.3186 -40.3186 -19.3511 -19.3511 -19.3441 -19.3441 -18.8835 -18.8835 -18.8531 -18.8531 -18.7370 -18.7370 -18.7136 -18.7136 7.7681 7.7681 7.7706 7.7706 9.1752 9.1752 9.1796 9.1796 10.0808 10.0808 10.0872 10.0872 11.5123 11.5123 k = 0.4479 0.3789 0.3138 ( 2086 PWs) bands (ev): -40.3185 -40.3185 -40.3185 -40.3185 -19.3512 -19.3512 -19.3435 -19.3435 -18.8857 -18.8857 -18.8521 -18.8521 -18.7392 -18.7392 -18.7133 -18.7133 7.7951 7.7951 7.7979 7.7979 9.1842 9.1842 9.1891 9.1891 10.0341 10.0341 10.0409 10.0409 11.5125 11.5125 k = 0.4427 0.3879 0.3138 ( 2078 PWs) bands (ev): -40.3183 -40.3183 -40.3183 -40.3183 -19.3513 -19.3513 -19.3429 -19.3429 -18.8879 -18.8879 -18.8510 -18.8510 -18.7415 -18.7415 -18.7131 -18.7131 7.8247 7.8247 7.8277 7.8277 9.1937 9.1937 9.1991 9.1991 9.9855 9.9855 9.9926 9.9926 11.5106 11.5108 k = 0.4375 0.3969 0.3138 ( 2078 PWs) bands (ev): -40.3181 -40.3181 -40.3181 -40.3181 -19.3515 -19.3515 -19.3423 -19.3423 -18.8901 -18.8901 -18.8501 -18.8501 -18.7438 -18.7438 -18.7130 -18.7130 7.8567 7.8567 7.8600 7.8600 9.2036 9.2036 9.2095 9.2095 9.9353 9.9353 9.9427 9.9427 11.5068 11.5068 k = 0.4323 0.4059 0.3138 ( 2078 PWs) bands (ev): -40.3179 -40.3179 -40.3179 -40.3179 -19.3516 -19.3516 -19.3417 -19.3417 -18.8923 -18.8923 -18.8493 -18.8493 -18.7461 -18.7461 -18.7130 -18.7130 7.8911 7.8911 7.8947 7.8947 9.2138 9.2138 9.2202 9.2202 9.8840 9.8840 9.8917 9.8917 11.5012 11.5018 k = 0.4271 0.4150 0.3138 ( 2082 PWs) bands (ev): -40.3178 -40.3178 -40.3178 -40.3178 -19.3517 -19.3517 -19.3412 -19.3412 -18.8946 -18.8946 -18.8486 -18.8486 -18.7485 -18.7485 -18.7130 -18.7130 7.9276 7.9276 7.9316 7.9316 9.2241 9.2241 9.2310 9.2310 9.8319 9.8319 9.8397 9.8397 11.4940 11.4946 k = 0.4219 0.4240 0.3138 ( 2086 PWs) bands (ev): -40.3176 -40.3176 -40.3176 -40.3176 -19.3518 -19.3518 -19.3406 -19.3406 -18.8968 -18.8968 -18.8479 -18.8479 -18.7508 -18.7508 -18.7131 -18.7131 7.9664 7.9664 7.9706 7.9706 9.2343 9.2343 9.2418 9.2418 9.7793 9.7793 9.7873 9.7873 11.4856 11.4893 k = 0.4167 0.4330 0.3138 ( 2090 PWs) bands (ev): -40.3174 -40.3174 -40.3174 -40.3174 -19.3519 -19.3519 -19.3401 -19.3401 -18.8990 -18.8990 -18.8474 -18.8474 -18.7531 -18.7531 -18.7132 -18.7132 8.0071 8.0071 8.0117 8.0117 9.2443 9.2443 9.2523 9.2523 9.7264 9.7264 9.7345 9.7345 11.4766 11.4779 k = 0.4115 0.4420 0.3138 ( 2086 PWs) bands (ev): -40.3172 -40.3172 -40.3172 -40.3172 -19.3520 -19.3520 -19.3396 -19.3396 -18.9012 -18.9012 -18.8468 -18.8468 -18.7552 -18.7552 -18.7133 -18.7133 8.0498 8.0498 8.0547 8.0547 9.2540 9.2540 9.2624 9.2624 9.6735 9.6735 9.6817 9.6817 11.4667 11.4680 k = 0.4062 0.4511 0.3138 ( 2082 PWs) bands (ev): -40.3170 -40.3170 -40.3170 -40.3170 -19.3521 -19.3521 -19.3391 -19.3391 -18.9033 -18.9033 -18.8464 -18.8464 -18.7573 -18.7573 -18.7135 -18.7135 8.0941 8.0941 8.0994 8.0994 9.2629 9.2629 9.2718 9.2718 9.6208 9.6208 9.6291 9.6291 11.4569 11.4593 k = 0.4010 0.4601 0.3138 ( 2078 PWs) bands (ev): -40.3168 -40.3168 -40.3168 -40.3168 -19.3521 -19.3521 -19.3386 -19.3386 -18.9053 -18.9053 -18.8460 -18.8460 -18.7593 -18.7593 -18.7136 -18.7136 8.1401 8.1401 8.1457 8.1457 9.2709 9.2709 9.2801 9.2801 9.5688 9.5688 9.5770 9.5770 11.4485 11.4629 k = 0.3958 0.4691 0.3138 ( 2078 PWs) bands (ev): -40.3166 -40.3166 -40.3166 -40.3166 -19.3523 -19.3523 -19.3382 -19.3382 -18.9073 -18.9073 -18.8458 -18.8458 -18.7612 -18.7612 -18.7138 -18.7138 8.1874 8.1874 8.1934 8.1934 9.2773 9.2773 9.2868 9.2868 9.5179 9.5179 9.5258 9.5258 11.4385 11.4388 k = 0.3906 0.4781 0.3138 ( 2082 PWs) bands (ev): -40.3164 -40.3164 -40.3164 -40.3164 -19.3524 -19.3524 -19.3378 -19.3378 -18.9092 -18.9092 -18.8456 -18.8456 -18.7630 -18.7630 -18.7140 -18.7140 8.2359 8.2359 8.2423 8.2423 9.2816 9.2816 9.2910 9.2910 9.4689 9.4689 9.4763 9.4763 11.4303 11.4330 k = 0.3854 0.4871 0.3138 ( 2082 PWs) bands (ev): -40.3162 -40.3162 -40.3162 -40.3162 -19.3525 -19.3525 -19.3375 -19.3375 -18.9109 -18.9109 -18.8455 -18.8455 -18.7646 -18.7646 -18.7142 -18.7142 8.2855 8.2855 8.2922 8.2922 9.2820 9.2820 9.2904 9.2904 9.4242 9.4242 9.4301 9.4301 11.4232 11.4240 k = 0.3802 0.4962 0.3138 ( 2086 PWs) bands (ev): -40.3160 -40.3160 -40.3160 -40.3160 -19.3526 -19.3526 -19.3372 -19.3372 -18.9126 -18.9126 -18.8455 -18.8455 -18.7661 -18.7661 -18.7144 -18.7144 8.3358 8.3358 8.3430 8.3430 9.2753 9.2753 9.2808 9.2808 9.3880 9.3880 9.3905 9.3905 11.4176 11.4189 k = 0.3750 0.5052 0.3138 ( 2088 PWs) bands (ev): -40.3159 -40.3159 -40.3159 -40.3159 -19.3528 -19.3528 -19.3370 -19.3370 -18.9141 -18.9141 -18.8455 -18.8455 -18.7674 -18.7674 -18.7146 -18.7146 8.3867 8.3867 8.3943 8.3943 9.2561 9.2561 9.2567 9.2567 9.3630 9.3630 9.3660 9.3660 11.4128 11.4201 k = 0.3698 0.5142 0.3138 ( 2088 PWs) bands (ev): -40.3157 -40.3157 -40.3157 -40.3157 -19.3529 -19.3529 -19.3368 -19.3368 -18.9155 -18.9155 -18.8456 -18.8456 -18.7685 -18.7685 -18.7147 -18.7147 8.4377 8.4377 8.4457 8.4457 9.2199 9.2199 9.2232 9.2232 9.3489 9.3489 9.3563 9.3563 11.4095 11.4102 k = 0.3646 0.5232 0.3138 ( 2092 PWs) bands (ev): -40.3156 -40.3156 -40.3156 -40.3156 -19.3531 -19.3531 -19.3367 -19.3367 -18.9167 -18.9167 -18.8457 -18.8457 -18.7695 -18.7695 -18.7149 -18.7149 8.4884 8.4884 8.4969 8.4969 9.1772 9.1772 9.1823 9.1823 9.3428 9.3428 9.3526 9.3526 11.4072 11.4076 k = 0.3594 0.5322 0.3138 ( 2088 PWs) bands (ev): -40.3154 -40.3154 -40.3154 -40.3154 -19.3532 -19.3532 -19.3365 -19.3365 -18.9178 -18.9178 -18.8458 -18.8458 -18.7703 -18.7703 -18.7150 -18.7150 8.5382 8.5382 8.5473 8.5473 9.1329 9.1329 9.1388 9.1388 9.3399 9.3399 9.3511 9.3511 11.4062 11.4071 k = 0.3542 0.5413 0.3138 ( 2088 PWs) bands (ev): -40.3153 -40.3153 -40.3153 -40.3153 -19.3533 -19.3533 -19.3365 -19.3365 -18.9187 -18.9187 -18.8459 -18.8459 -18.7710 -18.7710 -18.7151 -18.7151 8.5862 8.5862 8.5958 8.5958 9.0892 9.0892 9.0953 9.0953 9.3381 9.3381 9.3501 9.3501 11.4060 11.4064 k = 0.3490 0.5503 0.3138 ( 2092 PWs) bands (ev): -40.3153 -40.3153 -40.3153 -40.3153 -19.3534 -19.3534 -19.3364 -19.3364 -18.9194 -18.9194 -18.8460 -18.8460 -18.7715 -18.7715 -18.7152 -18.7152 8.6307 8.6307 8.6410 8.6410 9.0483 9.0483 9.0543 9.0543 9.3367 9.3367 9.3493 9.3493 11.4063 11.4068 k = 0.3438 0.5593 0.3138 ( 2090 PWs) bands (ev): -40.3152 -40.3152 -40.3152 -40.3152 -19.3535 -19.3535 -19.3364 -19.3364 -18.9199 -18.9199 -18.8461 -18.8461 -18.7719 -18.7719 -18.7152 -18.7152 8.6690 8.6690 8.6801 8.6801 9.0130 9.0130 9.0185 9.0185 9.3355 9.3355 9.3484 9.3484 11.4069 11.4073 k = 0.3385 0.5683 0.3138 ( 2086 PWs) bands (ev): -40.3152 -40.3152 -40.3152 -40.3152 -19.3535 -19.3535 -19.3364 -19.3364 -18.9202 -18.9202 -18.8461 -18.8461 -18.7721 -18.7721 -18.7153 -18.7153 8.6963 8.6963 8.7081 8.7081 8.9878 8.9878 8.9928 8.9928 9.3345 9.3345 9.3477 9.3477 11.4077 11.4081 k = 0.3333 0.5774 0.3138 ( 2076 PWs) bands (ev): -40.3151 -40.3151 -40.3151 -40.3151 -19.3535 -19.3535 -19.3363 -19.3363 -18.9202 -18.9202 -18.8461 -18.8461 -18.7721 -18.7721 -18.7153 -18.7153 8.7065 8.7065 8.7186 8.7186 8.9784 8.9784 8.9832 8.9832 9.3341 9.3341 9.3473 9.3473 11.4079 11.4081 k = 0.3333 0.5774 0.3138 ( 2076 PWs) bands (ev): -40.3151 -40.3151 -40.3151 -40.3151 -19.3535 -19.3535 -19.3363 -19.3363 -18.9202 -18.9202 -18.8461 -18.8461 -18.7721 -18.7721 -18.7153 -18.7153 8.7065 8.7065 8.7186 8.7186 8.9784 8.9784 8.9832 8.9832 9.3341 9.3341 9.3473 9.3473 11.4081 11.4084 k = 0.3281 0.5683 0.3138 ( 2078 PWs) bands (ev): -40.3152 -40.3152 -40.3152 -40.3152 -19.3535 -19.3535 -19.3363 -19.3363 -18.9201 -18.9201 -18.8461 -18.8461 -18.7720 -18.7720 -18.7152 -18.7152 8.6966 8.6966 8.7083 8.7083 8.9875 8.9875 8.9925 8.9925 9.3347 9.3347 9.3479 9.3479 11.4075 11.4077 k = 0.3229 0.5593 0.3138 ( 2086 PWs) bands (ev): -40.3152 -40.3152 -40.3152 -40.3152 -19.3535 -19.3535 -19.3364 -19.3364 -18.9198 -18.9198 -18.8461 -18.8461 -18.7719 -18.7719 -18.7152 -18.7152 8.6699 8.6699 8.6810 8.6810 9.0105 9.0105 9.0159 9.0159 9.3371 9.3371 9.3499 9.3499 11.4064 11.4073 k = 0.3177 0.5503 0.3138 ( 2086 PWs) bands (ev): -40.3153 -40.3153 -40.3153 -40.3153 -19.3533 -19.3533 -19.3363 -19.3363 -18.9193 -18.9193 -18.8459 -18.8459 -18.7716 -18.7716 -18.7152 -18.7152 8.6329 8.6329 8.6434 8.6434 9.0407 9.0407 9.0461 9.0461 9.3421 9.3421 9.3543 9.3543 11.4038 11.4039 k = 0.3125 0.5413 0.3138 ( 2086 PWs) bands (ev): -40.3154 -40.3154 -40.3154 -40.3154 -19.3531 -19.3531 -19.3363 -19.3363 -18.9186 -18.9186 -18.8456 -18.8456 -18.7711 -18.7711 -18.7150 -18.7150 8.5898 8.5898 8.5996 8.5996 9.0726 9.0726 9.0775 9.0775 9.3511 9.3511 9.3621 9.3621 11.4001 11.4010 k = 0.3073 0.5322 0.3138 ( 2086 PWs) bands (ev): -40.3155 -40.3155 -40.3155 -40.3155 -19.3528 -19.3528 -19.3362 -19.3362 -18.9177 -18.9177 -18.8453 -18.8453 -18.7706 -18.7706 -18.7149 -18.7149 8.5429 8.5429 8.5522 8.5522 9.1025 9.1025 9.1063 9.1063 9.3652 9.3652 9.3746 9.3746 11.3950 11.3955 k = 0.3021 0.5232 0.3138 ( 2082 PWs) bands (ev): -40.3157 -40.3157 -40.3157 -40.3157 -19.3524 -19.3524 -19.3360 -19.3360 -18.9165 -18.9165 -18.8448 -18.8448 -18.7700 -18.7700 -18.7148 -18.7148 8.4936 8.4936 8.5024 8.5024 9.1283 9.1283 9.1305 9.1305 9.3854 9.3854 9.3926 9.3926 11.3885 11.3888 k = 0.2969 0.5142 0.3138 ( 2082 PWs) bands (ev): -40.3159 -40.3159 -40.3159 -40.3159 -19.3520 -19.3520 -19.3358 -19.3358 -18.9152 -18.9152 -18.8443 -18.8443 -18.7693 -18.7693 -18.7146 -18.7146 8.4424 8.4424 8.4507 8.4507 9.1487 9.1487 9.1490 9.1490 9.4117 9.4117 9.4165 9.4165 11.3809 11.3812 k = 0.2917 0.5052 0.3138 ( 2082 PWs) bands (ev): -40.3161 -40.3161 -40.3161 -40.3161 -19.3514 -19.3514 -19.3355 -19.3355 -18.9136 -18.9136 -18.8436 -18.8436 -18.7684 -18.7684 -18.7144 -18.7144 8.3896 8.3896 8.3975 8.3975 9.1626 9.1626 9.1641 9.1641 9.4433 9.4433 9.4458 9.4458 11.3723 11.3729 k = 0.2865 0.4962 0.3138 ( 2078 PWs) bands (ev): -40.3164 -40.3164 -40.3164 -40.3164 -19.3507 -19.3507 -19.3351 -19.3351 -18.9119 -18.9119 -18.8429 -18.8429 -18.7675 -18.7675 -18.7142 -18.7142 8.3356 8.3356 8.3431 8.3431 9.1722 9.1722 9.1753 9.1753 9.4788 9.4788 9.4793 9.4793 11.3627 11.3641 k = 0.2812 0.4871 0.3138 ( 2078 PWs) bands (ev): -40.3167 -40.3167 -40.3167 -40.3167 -19.3499 -19.3499 -19.3346 -19.3346 -18.9100 -18.9100 -18.8420 -18.8420 -18.7666 -18.7666 -18.7139 -18.7139 8.2804 8.2804 8.2874 8.2874 9.1793 9.1793 9.1835 9.1835 9.5154 9.5154 9.5166 9.5166 11.3526 11.3530 k = 0.2760 0.4781 0.3138 ( 2086 PWs) bands (ev): -40.3170 -40.3170 -40.3170 -40.3170 -19.3490 -19.3490 -19.3340 -19.3340 -18.9080 -18.9080 -18.8411 -18.8411 -18.7655 -18.7655 -18.7137 -18.7137 8.2238 8.2238 8.2305 8.2305 9.1848 9.1848 9.1899 9.1899 9.5531 9.5531 9.5555 9.5555 11.3422 11.3428 k = 0.2708 0.4691 0.3138 ( 2086 PWs) bands (ev): -40.3174 -40.3174 -40.3174 -40.3174 -19.3480 -19.3480 -19.3334 -19.3334 -18.9057 -18.9057 -18.8401 -18.8401 -18.7644 -18.7644 -18.7134 -18.7134 8.1663 8.1663 8.1726 8.1726 9.1896 9.1896 9.1953 9.1953 9.5913 9.5913 9.5947 9.5947 11.3320 11.3332 k = 0.2656 0.4601 0.3138 ( 2090 PWs) bands (ev): -40.3178 -40.3178 -40.3178 -40.3178 -19.3468 -19.3468 -19.3326 -19.3326 -18.9033 -18.9033 -18.8389 -18.8389 -18.7632 -18.7632 -18.7131 -18.7131 8.1076 8.1076 8.1135 8.1135 9.1942 9.1942 9.2002 9.2002 9.6293 9.6293 9.6335 9.6335 11.3219 11.3221 k = 0.2604 0.4511 0.3138 ( 2088 PWs) bands (ev): -40.3183 -40.3183 -40.3183 -40.3183 -19.3455 -19.3455 -19.3316 -19.3316 -18.9007 -18.9007 -18.8377 -18.8377 -18.7619 -18.7619 -18.7127 -18.7127 8.0478 8.0478 8.0533 8.0533 9.1992 9.1992 9.2054 9.2054 9.6666 9.6666 9.6714 9.6714 11.3127 11.3143 k = 0.2552 0.4420 0.3138 ( 2084 PWs) bands (ev): -40.3188 -40.3188 -40.3188 -40.3188 -19.3440 -19.3440 -19.3305 -19.3305 -18.8980 -18.8980 -18.8364 -18.8364 -18.7605 -18.7605 -18.7123 -18.7123 7.9870 7.9870 7.9921 7.9921 9.2047 9.2047 9.2110 9.2110 9.7028 9.7028 9.7081 9.7081 11.3041 11.3046 k = 0.2500 0.4330 0.3138 ( 2084 PWs) bands (ev): -40.3193 -40.3193 -40.3193 -40.3193 -19.3423 -19.3423 -19.3293 -19.3293 -18.8951 -18.8951 -18.8349 -18.8349 -18.7591 -18.7591 -18.7119 -18.7119 7.9251 7.9251 7.9299 7.9299 9.2109 9.2109 9.2171 9.2171 9.7376 9.7376 9.7432 9.7432 11.2967 11.2976 k = 0.2448 0.4240 0.3138 ( 2084 PWs) bands (ev): -40.3199 -40.3199 -40.3199 -40.3199 -19.3406 -19.3406 -19.3280 -19.3280 -18.8921 -18.8921 -18.8335 -18.8335 -18.7575 -18.7575 -18.7114 -18.7114 7.8620 7.8620 7.8665 7.8665 9.2180 9.2180 9.2242 9.2242 9.7708 9.7708 9.7767 9.7767 11.2906 11.2910 k = 0.2396 0.4150 0.3138 ( 2084 PWs) bands (ev): -40.3205 -40.3205 -40.3205 -40.3205 -19.3386 -19.3386 -19.3265 -19.3265 -18.8890 -18.8890 -18.8319 -18.8319 -18.7560 -18.7560 -18.7110 -18.7110 7.7979 7.7979 7.8020 7.8020 9.2262 9.2262 9.2323 9.2323 9.8024 9.8024 9.8084 9.8084 11.2856 11.2860 k = 0.2344 0.4059 0.3138 ( 2080 PWs) bands (ev): -40.3211 -40.3211 -40.3211 -40.3211 -19.3366 -19.3366 -19.3249 -19.3249 -18.8858 -18.8858 -18.8302 -18.8302 -18.7543 -18.7543 -18.7105 -18.7105 7.7328 7.7328 7.7366 7.7366 9.2354 9.2354 9.2414 9.2414 9.8323 9.8323 9.8383 9.8383 11.2824 11.2838 k = 0.2292 0.3969 0.3138 ( 2080 PWs) bands (ev): -40.3218 -40.3218 -40.3218 -40.3218 -19.3343 -19.3343 -19.3232 -19.3232 -18.8824 -18.8824 -18.8285 -18.8285 -18.7526 -18.7526 -18.7100 -18.7100 7.6668 7.6668 7.6703 7.6703 9.2458 9.2458 9.2515 9.2515 9.8603 9.8603 9.8664 9.8664 11.2802 11.2802 k = 0.2240 0.3879 0.3138 ( 2080 PWs) bands (ev): -40.3225 -40.3225 -40.3225 -40.3225 -19.3320 -19.3320 -19.3213 -19.3213 -18.8789 -18.8789 -18.8267 -18.8267 -18.7508 -18.7508 -18.7094 -18.7094 7.5999 7.5999 7.6031 7.6031 9.2573 9.2573 9.2628 9.2628 9.8868 9.8868 9.8929 9.8929 11.2792 11.2796 k = 0.2188 0.3789 0.3138 ( 2076 PWs) bands (ev): -40.3232 -40.3232 -40.3232 -40.3232 -19.3295 -19.3295 -19.3193 -19.3193 -18.8753 -18.8753 -18.8249 -18.8249 -18.7489 -18.7489 -18.7088 -18.7088 7.5320 7.5320 7.5350 7.5350 9.2699 9.2699 9.2752 9.2752 9.9118 9.9118 9.9177 9.9177 11.2793 11.2796 k = 0.2135 0.3699 0.3138 ( 2076 PWs) bands (ev): -40.3239 -40.3239 -40.3239 -40.3239 -19.3269 -19.3269 -19.3171 -19.3171 -18.8716 -18.8716 -18.8230 -18.8230 -18.7470 -18.7470 -18.7082 -18.7082 7.4635 7.4635 7.4661 7.4661 9.2837 9.2837 9.2888 9.2888 9.9352 9.9352 9.9411 9.9411 11.2801 11.2813 k = 0.2083 0.3608 0.3138 ( 2080 PWs) bands (ev): -40.3247 -40.3247 -40.3247 -40.3247 -19.3242 -19.3242 -19.3149 -19.3149 -18.8679 -18.8679 -18.8211 -18.8211 -18.7450 -18.7450 -18.7075 -18.7075 7.3942 7.3942 7.3967 7.3967 9.2986 9.2986 9.3034 9.3034 9.9574 9.9574 9.9631 9.9631 11.2815 11.2820 k = 0.2031 0.3518 0.3138 ( 2076 PWs) bands (ev): -40.3255 -40.3255 -40.3255 -40.3255 -19.3214 -19.3214 -19.3125 -19.3125 -18.8640 -18.8640 -18.8191 -18.8191 -18.7429 -18.7429 -18.7068 -18.7068 7.3244 7.3244 7.3266 7.3266 9.3146 9.3146 9.3191 9.3191 9.9786 9.9786 9.9840 9.9840 11.2831 11.2835 k = 0.1979 0.3428 0.3138 ( 2080 PWs) bands (ev): -40.3264 -40.3264 -40.3264 -40.3264 -19.3185 -19.3185 -19.3101 -19.3101 -18.8601 -18.8601 -18.8171 -18.8171 -18.7408 -18.7408 -18.7061 -18.7061 7.2542 7.2542 7.2562 7.2562 9.3315 9.3315 9.3358 9.3358 9.9988 9.9988 10.0040 10.0040 11.2845 11.2884 k = 0.1927 0.3338 0.3138 ( 2080 PWs) bands (ev): -40.3272 -40.3272 -40.3272 -40.3272 -19.3155 -19.3155 -19.3075 -19.3075 -18.8562 -18.8562 -18.8150 -18.8150 -18.7386 -18.7386 -18.7054 -18.7054 7.1836 7.1836 7.1854 7.1854 9.3494 9.3494 9.3534 9.3534 10.0184 10.0184 10.0234 10.0234 11.2850 11.2857 k = 0.1875 0.3248 0.3138 ( 2076 PWs) bands (ev): -40.3281 -40.3281 -40.3281 -40.3281 -19.3124 -19.3124 -19.3049 -19.3049 -18.8521 -18.8521 -18.8129 -18.8129 -18.7363 -18.7363 -18.7046 -18.7046 7.1127 7.1127 7.1144 7.1144 9.3683 9.3683 9.3720 9.3720 10.0375 10.0375 10.0422 10.0422 11.2846 11.2848 k = 0.1823 0.3157 0.3138 ( 2076 PWs) bands (ev): -40.3290 -40.3290 -40.3290 -40.3290 -19.3092 -19.3092 -19.3022 -19.3022 -18.8480 -18.8480 -18.8107 -18.8107 -18.7340 -18.7340 -18.7037 -18.7037 7.0418 7.0418 7.0433 7.0433 9.3880 9.3880 9.3915 9.3915 10.0562 10.0562 10.0607 10.0607 11.2828 11.2837 k = 0.1771 0.3067 0.3138 ( 2076 PWs) bands (ev): -40.3299 -40.3299 -40.3299 -40.3299 -19.3060 -19.3060 -19.2994 -19.2994 -18.8439 -18.8439 -18.8085 -18.8085 -18.7317 -18.7317 -18.7029 -18.7029 6.9709 6.9709 6.9722 6.9722 9.4084 9.4084 9.4116 9.4116 10.0749 10.0749 10.0790 10.0790 11.2792 11.2838 k = 0.1719 0.2977 0.3138 ( 2080 PWs) bands (ev): -40.3308 -40.3308 -40.3308 -40.3308 -19.3028 -19.3028 -19.2966 -19.2966 -18.8398 -18.8398 -18.8064 -18.8064 -18.7292 -18.7292 -18.7020 -18.7020 6.9002 6.9002 6.9014 6.9014 9.4295 9.4295 9.4325 9.4325 10.0935 10.0935 10.0973 10.0973 11.2731 11.2739 k = 0.1667 0.2887 0.3138 ( 2076 PWs) bands (ev): -40.3318 -40.3318 -40.3318 -40.3318 -19.2995 -19.2995 -19.2937 -19.2937 -18.8356 -18.8356 -18.8041 -18.8041 -18.7268 -18.7268 -18.7010 -18.7010 6.8299 6.8299 6.8309 6.8309 9.4512 9.4512 9.4539 9.4539 10.1122 10.1122 10.1158 10.1158 11.2648 11.2653 k = 0.1615 0.2797 0.3138 ( 2076 PWs) bands (ev): -40.3327 -40.3327 -40.3327 -40.3327 -19.2962 -19.2962 -19.2909 -19.2909 -18.8314 -18.8314 -18.8019 -18.8019 -18.7242 -18.7242 -18.7000 -18.7000 6.7599 6.7599 6.7608 6.7608 9.4734 9.4734 9.4759 9.4759 10.1312 10.1312 10.1345 10.1345 11.2534 11.2549 k = 0.1562 0.2706 0.3138 ( 2076 PWs) bands (ev): -40.3337 -40.3337 -40.3337 -40.3337 -19.2929 -19.2929 -19.2880 -19.2880 -18.8272 -18.8272 -18.7996 -18.7996 -18.7217 -18.7217 -18.6990 -18.6990 6.6905 6.6905 6.6913 6.6913 9.4961 9.4961 9.4983 9.4983 10.1506 10.1506 10.1536 10.1536 11.2397 11.2405 k = 0.1510 0.2616 0.3138 ( 2072 PWs) bands (ev): -40.3346 -40.3346 -40.3346 -40.3346 -19.2896 -19.2896 -19.2851 -19.2851 -18.8230 -18.8230 -18.7973 -18.7973 -18.7190 -18.7190 -18.6979 -18.6979 6.6219 6.6219 6.6226 6.6226 9.5191 9.5191 9.5211 9.5211 10.1703 10.1703 10.1731 10.1731 11.2229 11.2246 k = 0.1458 0.2526 0.3138 ( 2076 PWs) bands (ev): -40.3356 -40.3356 -40.3356 -40.3356 -19.2863 -19.2863 -19.2822 -19.2822 -18.8189 -18.8189 -18.7951 -18.7951 -18.7164 -18.7164 -18.6968 -18.6968 6.5542 6.5542 6.5548 6.5548 9.5422 9.5422 9.5441 9.5441 10.1904 10.1904 10.1930 10.1930 11.2035 11.2041 k = 0.1406 0.2436 0.3138 ( 2072 PWs) bands (ev): -40.3365 -40.3365 -40.3365 -40.3365 -19.2831 -19.2831 -19.2793 -19.2793 -18.8148 -18.8148 -18.7928 -18.7928 -18.7137 -18.7137 -18.6956 -18.6956 6.4874 6.4874 6.4879 6.4879 9.5656 9.5656 9.5672 9.5672 10.2110 10.2110 10.2133 10.2133 11.1819 11.1828 k = 0.1354 0.2345 0.3138 ( 2064 PWs) bands (ev): -40.3375 -40.3375 -40.3375 -40.3375 -19.2799 -19.2799 -19.2764 -19.2764 -18.8107 -18.8107 -18.7906 -18.7906 -18.7110 -18.7110 -18.6943 -18.6943 6.4218 6.4218 6.4223 6.4223 9.5890 9.5890 9.5905 9.5905 10.2320 10.2320 10.2341 10.2341 11.1578 11.1600 k = 0.1302 0.2255 0.3138 ( 2060 PWs) bands (ev): -40.3384 -40.3384 -40.3384 -40.3384 -19.2767 -19.2767 -19.2736 -19.2736 -18.8067 -18.8067 -18.7883 -18.7883 -18.7082 -18.7082 -18.6930 -18.6930 6.3574 6.3574 6.3578 6.3578 9.6124 9.6124 9.6137 9.6137 10.2534 10.2534 10.2553 10.2553 11.1319 11.1330 k = 0.1250 0.2165 0.3138 ( 2060 PWs) bands (ev): -40.3394 -40.3394 -40.3394 -40.3394 -19.2737 -19.2737 -19.2709 -19.2709 -18.8027 -18.8027 -18.7861 -18.7861 -18.7055 -18.7055 -18.6916 -18.6916 6.2945 6.2945 6.2948 6.2948 9.6357 9.6357 9.6368 9.6368 10.2751 10.2751 10.2768 10.2768 11.1050 11.1062 k = 0.1198 0.2075 0.3138 ( 2056 PWs) bands (ev): -40.3403 -40.3403 -40.3403 -40.3403 -19.2707 -19.2707 -19.2682 -19.2682 -18.7989 -18.7989 -18.7840 -18.7840 -18.7027 -18.7027 -18.6902 -18.6902 6.2330 6.2330 6.2333 6.2333 9.6589 9.6589 9.6598 9.6598 10.2972 10.2972 10.2987 10.2987 11.0765 11.0768 k = 0.1146 0.1985 0.3138 ( 2052 PWs) bands (ev): -40.3412 -40.3412 -40.3412 -40.3412 -19.2678 -19.2678 -19.2656 -19.2656 -18.7952 -18.7952 -18.7818 -18.7818 -18.6999 -18.6999 -18.6887 -18.6887 6.1733 6.1733 6.1735 6.1735 9.6817 9.6817 9.6825 9.6825 10.3194 10.3194 10.3207 10.3207 11.0467 11.0480 k = 0.1094 0.1894 0.3138 ( 2052 PWs) bands (ev): -40.3421 -40.3421 -40.3421 -40.3421 -19.2650 -19.2650 -19.2630 -19.2630 -18.7916 -18.7916 -18.7797 -18.7797 -18.6971 -18.6971 -18.6872 -18.6872 6.1153 6.1153 6.1155 6.1155 9.7042 9.7042 9.7049 9.7049 10.3416 10.3416 10.3428 10.3428 11.0168 11.0186 k = 0.1042 0.1804 0.3138 ( 2054 PWs) bands (ev): -40.3429 -40.3429 -40.3429 -40.3429 -19.2623 -19.2623 -19.2606 -19.2606 -18.7881 -18.7881 -18.7777 -18.7777 -18.6944 -18.6944 -18.6857 -18.6857 6.0592 6.0592 6.0594 6.0594 9.7263 9.7263 9.7269 9.7269 10.3638 10.3639 10.3649 10.3649 10.9869 10.9879 k = 0.0990 0.1714 0.3138 ( 2058 PWs) bands (ev): -40.3438 -40.3438 -40.3438 -40.3438 -19.2597 -19.2597 -19.2582 -19.2582 -18.7848 -18.7848 -18.7758 -18.7758 -18.6917 -18.6917 -18.6841 -18.6841 6.0051 6.0051 6.0053 6.0053 9.7479 9.7479 9.7484 9.7484 10.3859 10.3859 10.3869 10.3869 10.9571 10.9579 k = 0.0938 0.1624 0.3138 ( 2054 PWs) bands (ev): -40.3446 -40.3446 -40.3446 -40.3446 -19.2572 -19.2572 -19.2560 -19.2560 -18.7817 -18.7817 -18.7739 -18.7739 -18.6890 -18.6890 -18.6825 -18.6825 5.9531 5.9531 5.9533 5.9533 9.7690 9.7690 9.7694 9.7694 10.4077 10.4077 10.4086 10.4086 10.9278 10.9288 k = 0.0885 0.1534 0.3138 ( 2052 PWs) bands (ev): -40.3454 -40.3454 -40.3454 -40.3454 -19.2549 -19.2549 -19.2538 -19.2538 -18.7787 -18.7787 -18.7720 -18.7720 -18.6864 -18.6864 -18.6808 -18.6808 5.9034 5.9034 5.9035 5.9035 9.7895 9.7895 9.7898 9.7898 10.4291 10.4291 10.4299 10.4299 10.8992 10.8996 k = 0.0833 0.1443 0.3138 ( 2056 PWs) bands (ev): -40.3461 -40.3461 -40.3461 -40.3461 -19.2527 -19.2527 -19.2518 -19.2518 -18.7759 -18.7759 -18.7703 -18.7703 -18.6838 -18.6838 -18.6791 -18.6791 5.8559 5.8559 5.8560 5.8560 9.8092 9.8092 9.8095 9.8095 10.4500 10.4500 10.4507 10.4507 10.8715 10.8719 k = 0.0781 0.1353 0.3138 ( 2048 PWs) bands (ev): -40.3469 -40.3469 -40.3469 -40.3469 -19.2505 -19.2505 -19.2498 -19.2498 -18.7732 -18.7732 -18.7686 -18.7686 -18.6813 -18.6813 -18.6774 -18.6774 5.8109 5.8109 5.8109 5.8109 9.8283 9.8283 9.8285 9.8285 10.4703 10.4703 10.4709 10.4709 10.8447 10.8455 k = 0.0729 0.1263 0.3138 ( 2052 PWs) bands (ev): -40.3475 -40.3475 -40.3475 -40.3475 -19.2486 -19.2486 -19.2480 -19.2480 -18.7708 -18.7708 -18.7670 -18.7670 -18.6789 -18.6789 -18.6757 -18.6757 5.7683 5.7683 5.7684 5.7684 9.8464 9.8464 9.8466 9.8466 10.4897 10.4897 10.4903 10.4903 10.8193 10.8196 k = 0.0677 0.1173 0.3138 ( 2052 PWs) bands (ev): -40.3482 -40.3482 -40.3482 -40.3482 -19.2468 -19.2468 -19.2463 -19.2463 -18.7685 -18.7685 -18.7655 -18.7655 -18.6766 -18.6766 -18.6740 -18.6740 5.7283 5.7283 5.7284 5.7284 9.8637 9.8637 9.8638 9.8638 10.5082 10.5083 10.5088 10.5088 10.7948 10.7952 k = 0.0625 0.1083 0.3138 ( 2058 PWs) bands (ev): -40.3488 -40.3488 -40.3488 -40.3488 -19.2451 -19.2451 -19.2447 -19.2447 -18.7665 -18.7665 -18.7641 -18.7641 -18.6744 -18.6744 -18.6724 -18.6724 5.6910 5.6910 5.6910 5.6910 9.8800 9.8800 9.8801 9.8801 10.5257 10.5257 10.5262 10.5262 10.7719 10.7722 k = 0.0573 0.0992 0.3138 ( 2062 PWs) bands (ev): -40.3494 -40.3494 -40.3494 -40.3494 -19.2435 -19.2435 -19.2432 -19.2432 -18.7646 -18.7646 -18.7627 -18.7627 -18.6724 -18.6724 -18.6708 -18.6708 5.6564 5.6564 5.6564 5.6564 9.8953 9.8953 9.8954 9.8954 10.5421 10.5421 10.5425 10.5425 10.7507 10.7511 k = 0.0521 0.0902 0.3138 ( 2062 PWs) bands (ev): -40.3499 -40.3499 -40.3499 -40.3499 -19.2421 -19.2421 -19.2419 -19.2419 -18.7629 -18.7629 -18.7615 -18.7615 -18.6705 -18.6705 -18.6693 -18.6693 5.6246 5.6246 5.6246 5.6246 9.9095 9.9095 9.9096 9.9096 10.5573 10.5573 10.5577 10.5577 10.7309 10.7312 k = 0.0469 0.0812 0.3138 ( 2066 PWs) bands (ev): -40.3504 -40.3504 -40.3504 -40.3504 -19.2409 -19.2409 -19.2407 -19.2407 -18.7615 -18.7615 -18.7604 -18.7604 -18.6687 -18.6687 -18.6678 -18.6678 5.5956 5.5956 5.5956 5.5956 9.9226 9.9226 9.9227 9.9227 10.5712 10.5712 10.5716 10.5716 10.7129 10.7133 k = 0.0417 0.0722 0.3138 ( 2066 PWs) bands (ev): -40.3508 -40.3508 -40.3508 -40.3508 -19.2397 -19.2397 -19.2396 -19.2396 -18.7601 -18.7601 -18.7594 -18.7594 -18.6671 -18.6671 -18.6664 -18.6664 5.5695 5.5695 5.5695 5.5695 9.9346 9.9346 9.9346 9.9346 10.5838 10.5838 10.5841 10.5841 10.6967 10.6970 k = 0.0365 0.0631 0.3138 ( 2070 PWs) bands (ev): -40.3512 -40.3512 -40.3512 -40.3512 -19.2387 -19.2387 -19.2386 -19.2386 -18.7590 -18.7590 -18.7585 -18.7585 -18.6656 -18.6656 -18.6652 -18.6652 5.5464 5.5464 5.5464 5.5464 9.9452 9.9452 9.9452 9.9452 10.5950 10.5950 10.5952 10.5952 10.6824 10.6824 k = 0.0312 0.0541 0.3138 ( 2070 PWs) bands (ev): -40.3515 -40.3515 -40.3515 -40.3515 -19.2378 -19.2378 -19.2378 -19.2378 -18.7580 -18.7580 -18.7577 -18.7577 -18.6643 -18.6643 -18.6641 -18.6641 5.5262 5.5262 5.5262 5.5262 9.9545 9.9545 9.9545 9.9545 10.6046 10.6046 10.6048 10.6048 10.6700 10.6700 k = 0.0260 0.0451 0.3138 ( 2074 PWs) bands (ev): -40.3518 -40.3518 -40.3518 -40.3518 -19.2371 -19.2371 -19.2371 -19.2371 -18.7572 -18.7572 -18.7570 -18.7570 -18.6633 -18.6633 -18.6631 -18.6631 5.5091 5.5091 5.5091 5.5091 9.9625 9.9625 9.9625 9.9625 10.6125 10.6125 10.6127 10.6127 10.6598 10.6598 k = 0.0208 0.0361 0.3138 ( 2082 PWs) bands (ev): -40.3521 -40.3521 -40.3521 -40.3521 -19.2365 -19.2365 -19.2365 -19.2365 -18.7566 -18.7566 -18.7565 -18.7565 -18.6624 -18.6624 -18.6623 -18.6623 5.4951 5.4951 5.4951 5.4951 9.9691 9.9691 9.9691 9.9691 10.6187 10.6187 10.6188 10.6189 10.6516 10.6517 k = 0.0156 0.0271 0.3138 ( 2090 PWs) bands (ev): -40.3522 -40.3522 -40.3522 -40.3522 -19.2361 -19.2361 -19.2361 -19.2361 -18.7561 -18.7561 -18.7561 -18.7561 -18.6618 -18.6618 -18.6617 -18.6617 5.4841 5.4841 5.4841 5.4841 9.9742 9.9742 9.9742 9.9742 10.6228 10.6228 10.6229 10.6230 10.6460 10.6460 k = 0.0104 0.0180 0.3138 ( 2094 PWs) bands (ev): -40.3524 -40.3524 -40.3524 -40.3524 -19.2358 -19.2358 -19.2358 -19.2358 -18.7558 -18.7558 -18.7558 -18.7558 -18.6613 -18.6613 -18.6613 -18.6613 5.4763 5.4763 5.4763 5.4763 9.9779 9.9779 9.9779 9.9779 10.6247 10.6247 10.6247 10.6247 10.6429 10.6429 k = 0.0052 0.0090 0.3138 ( 2094 PWs) bands (ev): -40.3525 -40.3525 -40.3525 -40.3525 -19.2356 -19.2356 -19.2356 -19.2356 -18.7556 -18.7556 -18.7556 -18.7556 -18.6610 -18.6610 -18.6610 -18.6610 5.4716 5.4716 5.4716 5.4716 9.9801 9.9801 9.9801 9.9801 10.6250 10.6250 10.6251 10.6253 10.6419 10.6419 k = 0.0000 0.0000 0.3138 ( 2098 PWs) bands (ev): -40.3525 -40.3525 -40.3525 -40.3525 -19.2355 -19.2355 -19.2355 -19.2355 -18.7555 -18.7555 -18.7555 -18.7555 -18.6609 -18.6609 -18.6609 -18.6609 5.4700 5.4700 5.4700 5.4700 9.9809 9.9809 9.9809 9.9809 10.6250 10.6250 10.6250 10.6250 10.6418 10.6418 k = 0.5000 0.2887 0.3138 ( 2084 PWs) bands (ev): -40.3193 -40.3193 -40.3193 -40.3193 -19.3487 -19.3487 -19.3487 -19.3487 -18.8658 -18.8658 -18.8658 -18.8658 -18.7205 -18.7205 -18.7205 -18.7205 7.6507 7.6507 7.6507 7.6507 9.1345 9.1345 9.1345 9.1345 10.3232 10.3232 10.3232 10.3232 11.4778 11.4778 k = 0.5000 0.2887 0.3033 ( 2080 PWs) bands (ev): -40.3198 -40.3198 -40.3188 -40.3188 -19.3496 -19.3496 -19.3477 -19.3477 -18.8662 -18.8662 -18.8653 -18.8653 -18.7231 -18.7231 -18.7181 -18.7181 7.6330 7.6330 7.6691 7.6691 9.1295 9.1295 9.1355 9.1355 10.3206 10.3206 10.3286 10.3286 11.4188 11.4188 k = 0.5000 0.2887 0.2928 ( 2080 PWs) bands (ev): -40.3203 -40.3203 -40.3183 -40.3183 -19.3503 -19.3503 -19.3467 -19.3467 -18.8667 -18.8667 -18.8648 -18.8648 -18.7257 -18.7257 -18.7158 -18.7158 7.6161 7.6161 7.6883 7.6883 9.1207 9.1207 9.1320 9.1320 10.3212 10.3212 10.3362 10.3362 11.3612 11.3612 k = 0.5000 0.2887 0.2824 ( 2084 PWs) bands (ev): -40.3209 -40.3209 -40.3177 -40.3177 -19.3510 -19.3510 -19.3456 -19.3456 -18.8671 -18.8671 -18.8643 -18.8643 -18.7284 -18.7284 -18.7137 -18.7137 7.6002 7.6002 7.7080 7.7080 9.1086 9.1086 9.1239 9.1239 10.3253 10.3253 10.3453 10.3453 11.3050 11.3050 k = 0.5000 0.2887 0.2719 ( 2080 PWs) bands (ev): -40.3214 -40.3214 -40.3172 -40.3172 -19.3516 -19.3516 -19.3445 -19.3445 -18.8674 -18.8674 -18.8637 -18.8637 -18.7312 -18.7312 -18.7116 -18.7116 7.5853 7.5853 7.7283 7.7283 9.0938 9.0938 9.1112 9.1112 10.3331 10.3331 10.3555 10.3555 11.2502 11.2502 k = 0.5000 0.2887 0.2615 ( 2080 PWs) bands (ev): -40.3219 -40.3219 -40.3167 -40.3167 -19.3521 -19.3521 -19.3433 -19.3433 -18.8677 -18.8677 -18.8631 -18.8631 -18.7341 -18.7341 -18.7097 -18.7097 7.5714 7.5714 7.7489 7.7489 9.0767 9.0767 9.0942 9.0942 10.3446 10.3446 10.3660 10.3660 11.1970 11.1970 k = 0.5000 0.2887 0.2510 ( 2080 PWs) bands (ev): -40.3224 -40.3224 -40.3162 -40.3162 -19.3525 -19.3525 -19.3421 -19.3421 -18.8679 -18.8679 -18.8626 -18.8626 -18.7371 -18.7371 -18.7079 -18.7079 7.5585 7.5585 7.7698 7.7698 9.0580 9.0580 9.0730 9.0730 10.3594 10.3594 10.3762 10.3762 11.1453 11.1453 k = 0.5000 0.2887 0.2405 ( 2080 PWs) bands (ev): -40.3229 -40.3229 -40.3157 -40.3157 -19.3528 -19.3528 -19.3409 -19.3409 -18.8682 -18.8682 -18.8620 -18.8620 -18.7401 -18.7401 -18.7062 -18.7062 7.5467 7.5467 7.7909 7.7909 9.0380 9.0380 9.0481 9.0481 10.3772 10.3772 10.3859 10.3859 11.0954 11.0954 k = 0.5000 0.2887 0.2301 ( 2084 PWs) bands (ev): -40.3233 -40.3233 -40.3153 -40.3153 -19.3530 -19.3530 -19.3397 -19.3397 -18.8684 -18.8684 -18.8614 -18.8614 -18.7432 -18.7432 -18.7047 -18.7047 7.5360 7.5360 7.8120 7.8120 9.0169 9.0169 9.0203 9.0203 10.3928 10.3928 10.3995 10.3995 11.0473 11.0473 k = 0.5000 0.2887 0.2196 ( 2084 PWs) bands (ev): -40.3238 -40.3238 -40.3148 -40.3148 -19.3532 -19.3532 -19.3384 -19.3384 -18.8685 -18.8685 -18.8608 -18.8608 -18.7463 -18.7463 -18.7032 -18.7032 7.5265 7.5265 7.8330 7.8330 8.9886 8.9886 8.9967 8.9967 10.4000 10.4000 10.4223 10.4223 11.0009 11.0009 k = 0.5000 0.2887 0.2092 ( 2082 PWs) bands (ev): -40.3243 -40.3243 -40.3143 -40.3143 -19.3532 -19.3532 -19.3371 -19.3371 -18.8686 -18.8686 -18.8601 -18.8601 -18.7495 -18.7495 -18.7019 -18.7019 7.5182 7.5182 7.8539 7.8539 8.9555 8.9555 8.9756 8.9756 10.4050 10.4050 10.4475 10.4475 10.9564 10.9564 k = 0.5000 0.2887 0.1987 ( 2084 PWs) bands (ev): -40.3247 -40.3247 -40.3139 -40.3139 -19.3531 -19.3531 -19.3359 -19.3359 -18.8687 -18.8687 -18.8594 -18.8594 -18.7527 -18.7527 -18.7007 -18.7007 7.5110 7.5110 7.8744 7.8744 8.9205 8.9205 8.9551 8.9551 10.4079 10.4080 10.4744 10.4744 10.9138 10.9138 k = 0.5000 0.2887 0.1883 ( 2084 PWs) bands (ev): -40.3251 -40.3251 -40.3135 -40.3135 -19.3529 -19.3529 -19.3347 -19.3347 -18.8688 -18.8688 -18.8587 -18.8587 -18.7559 -18.7559 -18.6996 -18.6996 7.5049 7.5049 7.8943 7.8943 8.8843 8.8843 8.9351 8.9351 10.4089 10.4089 10.5023 10.5023 10.8732 10.8732 k = 0.5000 0.2887 0.1778 ( 2086 PWs) bands (ev): -40.3256 -40.3256 -40.3130 -40.3130 -19.3527 -19.3527 -19.3335 -19.3335 -18.8688 -18.8688 -18.8580 -18.8580 -18.7591 -18.7591 -18.6987 -18.6987 7.5000 7.5000 7.9136 7.9136 8.8472 8.8472 8.9161 8.9161 10.4079 10.4079 10.5310 10.5310 10.8345 10.8345 k = 0.5000 0.2887 0.1673 ( 2086 PWs) bands (ev): -40.3260 -40.3260 -40.3127 -40.3127 -19.3523 -19.3523 -19.3324 -19.3324 -18.8689 -18.8689 -18.8571 -18.8571 -18.7623 -18.7623 -18.6978 -18.6978 7.4963 7.4963 7.9320 7.9320 8.8097 8.8097 8.8982 8.8982 10.4051 10.4051 10.5599 10.5599 10.7979 10.7979 k = 0.5000 0.2887 0.1569 ( 2090 PWs) bands (ev): -40.3263 -40.3263 -40.3123 -40.3123 -19.3519 -19.3519 -19.3314 -19.3314 -18.8690 -18.8690 -18.8563 -18.8563 -18.7655 -18.7655 -18.6971 -18.6971 7.4936 7.4936 7.9496 7.9496 8.7722 8.7722 8.8817 8.8817 10.4005 10.4005 10.5887 10.5887 10.7635 10.7635 k = 0.5000 0.2887 0.1464 ( 2082 PWs) bands (ev): -40.3267 -40.3267 -40.3119 -40.3119 -19.3514 -19.3514 -19.3303 -19.3303 -18.8690 -18.8690 -18.8553 -18.8553 -18.7686 -18.7686 -18.6964 -18.6964 7.4920 7.4920 7.9661 7.9661 8.7352 8.7352 8.8668 8.8668 10.3944 10.3944 10.6170 10.6170 10.7313 10.7313 k = 0.5000 0.2887 0.1360 ( 2082 PWs) bands (ev): -40.3270 -40.3270 -40.3116 -40.3116 -19.3509 -19.3509 -19.3294 -19.3294 -18.8690 -18.8690 -18.8543 -18.8543 -18.7717 -18.7717 -18.6958 -18.6958 7.4912 7.4912 7.9813 7.9813 8.6989 8.6989 8.8533 8.8533 10.3871 10.3871 10.6439 10.6439 10.7018 10.7018 k = 0.5000 0.2887 0.1255 ( 2080 PWs) bands (ev): -40.3273 -40.3273 -40.3113 -40.3113 -19.3503 -19.3503 -19.3285 -19.3285 -18.8691 -18.8691 -18.8532 -18.8532 -18.7747 -18.7747 -18.6953 -18.6953 7.4913 7.4913 7.9954 7.9954 8.6636 8.6636 8.8415 8.8415 10.3787 10.3787 10.6618 10.6618 10.6826 10.6826 k = 0.5000 0.2887 0.1150 ( 2080 PWs) bands (ev): -40.3276 -40.3276 -40.3110 -40.3110 -19.3497 -19.3497 -19.3277 -19.3277 -18.8692 -18.8692 -18.8520 -18.8520 -18.7777 -18.7777 -18.6948 -18.6948 7.4921 7.4921 8.0081 8.0081 8.6296 8.6296 8.8313 8.8313 10.3696 10.3696 10.6435 10.6435 10.7005 10.7005 k = 0.5000 0.2887 0.1046 ( 2076 PWs) bands (ev): -40.3279 -40.3279 -40.3107 -40.3107 -19.3491 -19.3491 -19.3270 -19.3270 -18.8693 -18.8693 -18.8508 -18.8508 -18.7805 -18.7805 -18.6944 -18.6944 7.4936 7.4936 8.0195 8.0195 8.5974 8.5974 8.8227 8.8227 10.3601 10.3601 10.6205 10.6205 10.7238 10.7238 k = 0.5000 0.2887 0.0941 ( 2080 PWs) bands (ev): -40.3282 -40.3282 -40.3104 -40.3104 -19.3485 -19.3485 -19.3264 -19.3264 -18.8695 -18.8695 -18.8495 -18.8495 -18.7833 -18.7833 -18.6941 -18.6941 7.4955 7.4955 8.0295 8.0295 8.5669 8.5669 8.8156 8.8156 10.3503 10.3503 10.5991 10.5991 10.7461 10.7461 k = 0.5000 0.2887 0.0837 ( 2076 PWs) bands (ev): -40.3284 -40.3284 -40.3102 -40.3102 -19.3479 -19.3479 -19.3258 -19.3258 -18.8696 -18.8696 -18.8482 -18.8482 -18.7859 -18.7859 -18.6938 -18.6938 7.4979 7.4979 8.0382 8.0382 8.5388 8.5388 8.8099 8.8099 10.3408 10.3408 10.5798 10.5798 10.7667 10.7667 k = 0.5000 0.2887 0.0732 ( 2076 PWs) bands (ev): -40.3286 -40.3286 -40.3100 -40.3100 -19.3473 -19.3473 -19.3253 -19.3253 -18.8698 -18.8698 -18.8469 -18.8469 -18.7884 -18.7884 -18.6936 -18.6936 7.5006 7.5006 8.0457 8.0457 8.5133 8.5133 8.8055 8.8055 10.3316 10.3316 10.5627 10.5627 10.7853 10.7853 k = 0.5000 0.2887 0.0628 ( 2080 PWs) bands (ev): -40.3288 -40.3288 -40.3099 -40.3099 -19.3468 -19.3468 -19.3249 -19.3249 -18.8700 -18.8700 -18.8457 -18.8457 -18.7907 -18.7907 -18.6935 -18.6935 7.5033 7.5033 8.0519 8.0519 8.4905 8.4905 8.8021 8.8021 10.3231 10.3231 10.5478 10.5478 10.8017 10.8017 k = 0.5000 0.2887 0.0523 ( 2082 PWs) bands (ev): -40.3289 -40.3289 -40.3097 -40.3097 -19.3464 -19.3464 -19.3246 -19.3246 -18.8701 -18.8701 -18.8445 -18.8445 -18.7927 -18.7927 -18.6933 -18.6933 7.5059 7.5059 8.0569 8.0569 8.4706 8.4706 8.7997 8.7997 10.3154 10.3154 10.5352 10.5352 10.8158 10.8158 k = 0.5000 0.2887 0.0418 ( 2082 PWs) bands (ev): -40.3290 -40.3290 -40.3096 -40.3096 -19.3460 -19.3460 -19.3243 -19.3243 -18.8703 -18.8703 -18.8434 -18.8434 -18.7945 -18.7945 -18.6932 -18.6932 7.5083 7.5083 8.0609 8.0609 8.4541 8.4541 8.7980 8.7980 10.3089 10.3089 10.5248 10.5248 10.8276 10.8276 k = 0.5000 0.2887 0.0314 ( 2082 PWs) bands (ev): -40.3291 -40.3291 -40.3095 -40.3095 -19.3456 -19.3456 -19.3241 -19.3241 -18.8704 -18.8704 -18.8424 -18.8424 -18.7960 -18.7960 -18.6931 -18.6931 7.5104 7.5104 8.0639 8.0639 8.4410 8.4410 8.7968 8.7968 10.3035 10.3035 10.5168 10.5168 10.8368 10.8368 k = 0.5000 0.2887 0.0209 ( 2074 PWs) bands (ev): -40.3292 -40.3292 -40.3094 -40.3094 -19.3454 -19.3454 -19.3239 -19.3239 -18.8704 -18.8704 -18.8417 -18.8417 -18.7970 -18.7970 -18.6930 -18.6930 7.5121 7.5121 8.0663 8.0663 8.4315 8.4315 8.7962 8.7962 10.2996 10.2996 10.5111 10.5111 10.8434 10.8434 k = 0.5000 0.2887 0.0105 ( 2074 PWs) bands (ev): -40.3292 -40.3292 -40.3094 -40.3094 -19.3452 -19.3452 -19.3239 -19.3239 -18.8705 -18.8705 -18.8413 -18.8413 -18.7977 -18.7977 -18.6930 -18.6930 7.5131 7.5131 8.0675 8.0675 8.4258 8.4258 8.7958 8.7958 10.2972 10.2972 10.5076 10.5076 10.8474 10.8474 k = 0.5000 0.2887-0.0000 ( 2076 PWs) bands (ev): -40.3293 -40.3293 -40.3094 -40.3094 -19.3452 -19.3452 -19.3238 -19.3238 -18.8705 -18.8705 -18.8411 -18.8411 -18.7980 -18.7980 -18.6930 -18.6930 7.5134 7.5134 8.0679 8.0679 8.4239 8.4239 8.7957 8.7957 10.2964 10.2964 10.5064 10.5064 10.8488 10.8488 k = 0.3333 0.5774-0.0000 ( 2097 PWs) bands (ev): -40.3152 -40.3152 -40.3152 -40.3152 -19.3342 -19.3342 -19.3307 -19.3307 -18.8580 -18.8580 -18.8490 -18.8490 -18.7966 -18.7966 -18.7780 -18.7780 8.4264 8.4264 8.4421 8.4421 8.5157 8.5157 8.6606 8.6606 10.0755 10.0755 10.0840 10.0840 11.0995 11.0995 k = 0.3333 0.5774 0.0105 ( 2094 PWs) bands (ev): -40.3152 -40.3152 -40.3152 -40.3152 -19.3342 -19.3342 -19.3307 -19.3307 -18.8587 -18.8587 -18.8484 -18.8484 -18.7965 -18.7965 -18.7778 -18.7778 8.4273 8.4273 8.4430 8.4430 8.5160 8.5160 8.6609 8.6609 10.0740 10.0740 10.0825 10.0825 11.0994 11.0994 k = 0.3333 0.5774 0.0209 ( 2100 PWs) bands (ev): -40.3152 -40.3152 -40.3152 -40.3152 -19.3342 -19.3342 -19.3309 -19.3309 -18.8607 -18.8607 -18.8472 -18.8472 -18.7964 -18.7964 -18.7771 -18.7771 8.4299 8.4299 8.4455 8.4455 8.5171 8.5171 8.6617 8.6617 10.0695 10.0695 10.0780 10.0780 11.0993 11.0993 k = 0.3333 0.5774 0.0314 ( 2100 PWs) bands (ev): -40.3152 -40.3152 -40.3152 -40.3152 -19.3343 -19.3343 -19.3313 -19.3313 -18.8633 -18.8633 -18.8458 -18.8458 -18.7960 -18.7960 -18.7759 -18.7759 8.4343 8.4343 8.4498 8.4498 8.5189 8.5189 8.6631 8.6631 10.0621 10.0621 10.0705 10.0705 11.0992 11.0992 k = 0.3333 0.5774 0.0418 ( 2088 PWs) bands (ev): -40.3152 -40.3152 -40.3152 -40.3152 -19.3343 -19.3343 -19.3317 -19.3317 -18.8661 -18.8661 -18.8444 -18.8444 -18.7955 -18.7955 -18.7742 -18.7742 8.4405 8.4405 8.4559 8.4559 8.5216 8.5216 8.6653 8.6653 10.0520 10.0520 10.0603 10.0603 11.0991 11.0991 k = 0.3333 0.5774 0.0523 ( 2097 PWs) bands (ev): -40.3152 -40.3152 -40.3152 -40.3152 -19.3343 -19.3343 -19.3323 -19.3323 -18.8693 -18.8693 -18.8433 -18.8433 -18.7949 -18.7949 -18.7722 -18.7722 8.4483 8.4483 8.4636 8.4636 8.5247 8.5247 8.6677 8.6677 10.0389 10.0389 10.0471 10.0471 11.0990 11.0990 k = 0.3333 0.5774 0.0628 ( 2097 PWs) bands (ev): -40.3152 -40.3152 -40.3152 -40.3152 -19.3344 -19.3344 -19.3329 -19.3329 -18.8725 -18.8725 -18.8423 -18.8423 -18.7942 -18.7942 -18.7699 -18.7699 8.4578 8.4578 8.4730 8.4730 8.5286 8.5286 8.6707 8.6707 10.0232 10.0232 10.0313 10.0313 11.0990 11.0990 k = 0.3333 0.5774 0.0732 ( 2097 PWs) bands (ev): -40.3152 -40.3152 -40.3152 -40.3152 -19.3344 -19.3344 -19.3337 -19.3337 -18.8757 -18.8757 -18.8416 -18.8416 -18.7934 -18.7934 -18.7673 -18.7673 8.4690 8.4690 8.4840 8.4840 8.5331 8.5331 8.6741 8.6741 10.0049 10.0049 10.0130 10.0130 11.0991 11.0991 k = 0.3333 0.5774 0.0837 ( 2094 PWs) bands (ev): -40.3152 -40.3152 -40.3152 -40.3152 -19.3346 -19.3346 -19.3345 -19.3345 -18.8790 -18.8790 -18.8411 -18.8411 -18.7924 -18.7924 -18.7644 -18.7644 8.4819 8.4819 8.4967 8.4967 8.5383 8.5383 8.6779 8.6779 9.9842 9.9842 9.9922 9.9922 11.0996 11.0996 k = 0.3333 0.5774 0.0941 ( 2094 PWs) bands (ev): -40.3152 -40.3152 -40.3152 -40.3152 -19.3355 -19.3355 -19.3346 -19.3346 -18.8823 -18.8823 -18.8407 -18.8407 -18.7914 -18.7914 -18.7613 -18.7613 8.4964 8.4964 8.5110 8.5110 8.5441 8.5441 8.6820 8.6820 9.9611 9.9611 9.9691 9.9691 11.1004 11.1004 k = 0.3333 0.5774 0.1046 ( 2094 PWs) bands (ev): -40.3152 -40.3152 -40.3152 -40.3152 -19.3366 -19.3366 -19.3347 -19.3347 -18.8855 -18.8855 -18.8406 -18.8406 -18.7903 -18.7903 -18.7582 -18.7582 8.5125 8.5125 8.5268 8.5268 8.5504 8.5504 8.6863 8.6863 9.9360 9.9360 9.9439 9.9439 11.1017 11.1017 k = 0.3333 0.5774 0.1150 ( 2100 PWs) bands (ev): -40.3152 -40.3152 -40.3152 -40.3152 -19.3377 -19.3377 -19.3348 -19.3348 -18.8887 -18.8887 -18.8405 -18.8405 -18.7892 -18.7892 -18.7550 -18.7550 8.5301 8.5301 8.5441 8.5441 8.5573 8.5573 8.6908 8.6908 9.9089 9.9089 9.9167 9.9167 11.1035 11.1035 k = 0.3333 0.5774 0.1255 ( 2100 PWs) bands (ev): -40.3152 -40.3152 -40.3152 -40.3152 -19.3388 -19.3388 -19.3349 -19.3349 -18.8917 -18.8917 -18.8406 -18.8406 -18.7880 -18.7880 -18.7517 -18.7517 8.5493 8.5493 8.5623 8.5623 8.5653 8.5653 8.6954 8.6954 9.8800 9.8800 9.8877 9.8877 11.1061 11.1061 k = 0.3333 0.5774 0.1360 ( 2100 PWs) bands (ev): -40.3152 -40.3152 -40.3152 -40.3152 -19.3400 -19.3400 -19.3350 -19.3350 -18.8947 -18.8947 -18.8408 -18.8408 -18.7867 -18.7867 -18.7484 -18.7484 8.5699 8.5699 8.5721 8.5721 8.5835 8.5835 8.7001 8.7001 9.8494 9.8494 9.8572 9.8572 11.1096 11.1096 k = 0.3333 0.5774 0.1464 ( 2106 PWs) bands (ev): -40.3152 -40.3152 -40.3152 -40.3152 -19.3412 -19.3412 -19.3351 -19.3351 -18.8975 -18.8975 -18.8411 -18.8411 -18.7855 -18.7855 -18.7452 -18.7452 8.5804 8.5804 8.5919 8.5919 8.6051 8.6051 8.7047 8.7047 9.8174 9.8174 9.8252 9.8252 11.1140 11.1140 k = 0.3333 0.5774 0.1569 ( 2106 PWs) bands (ev): -40.3152 -40.3152 -40.3152 -40.3152 -19.3424 -19.3424 -19.3352 -19.3352 -18.9002 -18.9002 -18.8414 -18.8414 -18.7842 -18.7842 -18.7420 -18.7420 8.5889 8.5889 8.6152 8.6152 8.6280 8.6280 8.7092 8.7092 9.7842 9.7842 9.7920 9.7920 11.1195 11.1195 k = 0.3333 0.5774 0.1673 ( 2094 PWs) bands (ev): -40.3152 -40.3152 -40.3152 -40.3152 -19.3435 -19.3435 -19.3353 -19.3353 -18.9027 -18.9027 -18.8418 -18.8418 -18.7829 -18.7829 -18.7389 -18.7389 8.5977 8.5977 8.6398 8.6398 8.6522 8.6522 8.7135 8.7135 9.7500 9.7500 9.7579 9.7579 11.1263 11.1263 k = 0.3333 0.5774 0.1778 ( 2091 PWs) bands (ev): -40.3152 -40.3152 -40.3152 -40.3152 -19.3447 -19.3447 -19.3354 -19.3354 -18.9050 -18.9050 -18.8422 -18.8422 -18.7816 -18.7816 -18.7359 -18.7359 8.6067 8.6067 8.6655 8.6655 8.6776 8.6776 8.7175 8.7175 9.7147 9.7147 9.7228 9.7228 11.1345 11.1345 k = 0.3333 0.5774 0.1883 ( 2091 PWs) bands (ev): -40.3152 -40.3152 -40.3152 -40.3152 -19.3458 -19.3458 -19.3355 -19.3355 -18.9073 -18.9073 -18.8426 -18.8426 -18.7804 -18.7804 -18.7331 -18.7331 8.6159 8.6159 8.6923 8.6923 8.7038 8.7038 8.7210 8.7210 9.6789 9.6789 9.6871 9.6871 11.1441 11.1441 k = 0.3333 0.5774 0.1987 ( 2085 PWs) bands (ev): -40.3151 -40.3151 -40.3151 -40.3151 -19.3469 -19.3469 -19.3356 -19.3356 -18.9093 -18.9093 -18.8431 -18.8431 -18.7792 -18.7792 -18.7304 -18.7304 8.6251 8.6251 8.7201 8.7201 8.7242 8.7242 8.7312 8.7312 9.6425 9.6425 9.6509 9.6509 11.1555 11.1555 k = 0.3333 0.5774 0.2092 ( 2085 PWs) bands (ev): -40.3151 -40.3151 -40.3151 -40.3151 -19.3480 -19.3480 -19.3357 -19.3357 -18.9112 -18.9112 -18.8435 -18.8435 -18.7781 -18.7781 -18.7279 -18.7279 8.6343 8.6343 8.7268 8.7268 8.7486 8.7486 8.7592 8.7592 9.6058 9.6058 9.6145 9.6145 11.1686 11.1686 k = 0.3333 0.5774 0.2196 ( 2079 PWs) bands (ev): -40.3151 -40.3151 -40.3151 -40.3151 -19.3490 -19.3490 -19.3358 -19.3358 -18.9129 -18.9129 -18.8439 -18.8439 -18.7770 -18.7770 -18.7255 -18.7255 8.6436 8.6436 8.7288 8.7288 8.7778 8.7778 8.7878 8.7878 9.5692 9.5692 9.5782 9.5782 11.1836 11.1836 k = 0.3333 0.5774 0.2301 ( 2073 PWs) bands (ev): -40.3151 -40.3151 -40.3151 -40.3151 -19.3498 -19.3498 -19.3359 -19.3359 -18.9144 -18.9144 -18.8443 -18.8443 -18.7760 -18.7760 -18.7234 -18.7234 8.6526 8.6526 8.7301 8.7301 8.8072 8.8072 8.8167 8.8167 9.5328 9.5328 9.5421 9.5421 11.2007 11.2007 k = 0.3333 0.5774 0.2405 ( 2073 PWs) bands (ev): -40.3151 -40.3151 -40.3151 -40.3151 -19.3507 -19.3507 -19.3360 -19.3360 -18.9158 -18.9158 -18.8447 -18.8447 -18.7751 -18.7751 -18.7215 -18.7215 8.6614 8.6614 8.7308 8.7308 8.8367 8.8367 8.8456 8.8456 9.4971 9.4971 9.5069 9.5069 11.2198 11.2198 k = 0.3333 0.5774 0.2510 ( 2073 PWs) bands (ev): -40.3151 -40.3151 -40.3151 -40.3151 -19.3514 -19.3514 -19.3361 -19.3361 -18.9170 -18.9170 -18.8451 -18.8451 -18.7743 -18.7743 -18.7199 -18.7199 8.6700 8.6700 8.7307 8.7307 8.8658 8.8658 8.8740 8.8740 9.4626 9.4626 9.4728 9.4728 11.2410 11.2410 k = 0.3333 0.5774 0.2615 ( 2073 PWs) bands (ev): -40.3151 -40.3151 -40.3151 -40.3151 -19.3520 -19.3520 -19.3361 -19.3361 -18.9180 -18.9180 -18.8454 -18.8454 -18.7736 -18.7736 -18.7185 -18.7185 8.6781 8.6781 8.7298 8.7298 8.8938 8.8938 8.9014 8.9014 9.4298 9.4298 9.4405 9.4406 11.2645 11.2645 k = 0.3333 0.5774 0.2719 ( 2073 PWs) bands (ev): -40.3151 -40.3151 -40.3151 -40.3151 -19.3525 -19.3525 -19.3362 -19.3362 -18.9188 -18.9188 -18.8456 -18.8456 -18.7731 -18.7731 -18.7173 -18.7173 8.6858 8.6858 8.7282 8.7282 8.9201 8.9201 8.9269 8.9269 9.3996 9.3996 9.4110 9.4110 11.2902 11.2903 k = 0.3333 0.5774 0.2824 ( 2073 PWs) bands (ev): -40.3151 -40.3151 -40.3151 -40.3151 -19.3530 -19.3530 -19.3363 -19.3363 -18.9194 -18.9194 -18.8459 -18.8459 -18.7726 -18.7726 -18.7164 -18.7164 8.6929 8.6929 8.7259 8.7259 8.9433 8.9433 8.9494 8.9494 9.3733 9.3733 9.3854 9.3854 11.3182 11.3182 k = 0.3333 0.5774 0.2928 ( 2082 PWs) bands (ev): -40.3151 -40.3151 -40.3151 -40.3151 -19.3533 -19.3533 -19.3363 -19.3363 -18.9199 -18.9199 -18.8460 -18.8460 -18.7724 -18.7724 -18.7158 -18.7158 8.6993 8.6993 8.7231 8.7231 8.9618 8.9618 8.9673 8.9673 9.3525 9.3525 9.3651 9.3651 11.3484 11.3484 k = 0.3333 0.5774 0.3033 ( 2082 PWs) bands (ev): -40.3151 -40.3151 -40.3151 -40.3151 -19.3535 -19.3535 -19.3363 -19.3363 -18.9201 -18.9201 -18.8461 -18.8461 -18.7722 -18.7722 -18.7154 -18.7154 8.7042 8.7042 8.7201 8.7201 8.9741 8.9741 8.9791 8.9791 9.3388 9.3388 9.3519 9.3519 11.3806 11.3806 k = 0.3333 0.5774 0.3138 ( 2076 PWs) bands (ev): -40.3151 -40.3151 -40.3151 -40.3151 -19.3535 -19.3535 -19.3363 -19.3363 -18.9202 -18.9202 -18.8461 -18.8461 -18.7721 -18.7721 -18.7153 -18.7153 8.7065 8.7065 8.7186 8.7186 8.9784 8.9784 8.9832 8.9832 9.3341 9.3341 9.3473 9.3473 11.4080 11.4083 Writing output data file Sc.save init_run : 0.12s CPU 4.04s WALL ( 1 calls) electrons : 122.14s CPU 124.77s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 122.13s CPU 124.76s 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 : 0.03s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 401 calls) cegterg : 114.52s CPU 116.73s WALL ( 1081 calls) Called by sum_band: Called by *egterg: h_psi : 49.08s CPU 51.47s WALL ( 19060 calls) s_psi : 2.27s CPU 2.16s WALL ( 19060 calls) g_psi : 0.16s CPU 0.15s WALL ( 17578 calls) cdiaghg : 58.69s CPU 58.65s WALL ( 17979 calls) cegterg:over : 3.28s CPU 3.19s WALL ( 17578 calls) cegterg:upda : 2.40s CPU 2.55s WALL ( 17578 calls) cegterg:last : 1.08s CPU 1.22s WALL ( 2363 calls) cdiaghg:chol : 2.87s CPU 2.89s WALL ( 17979 calls) cdiaghg:inve : 0.98s CPU 1.05s WALL ( 17979 calls) cdiaghg:para : 3.41s CPU 3.69s WALL ( 35958 calls) Called by h_psi: h_psi:vloc : 44.17s CPU 46.53s WALL ( 19060 calls) h_psi:vnl : 4.82s CPU 4.86s WALL ( 19060 calls) add_vuspsi : 2.58s CPU 2.70s WALL ( 19060 calls) General routines calbec : 2.19s CPU 2.12s WALL ( 19060 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 41.54s CPU 43.76s WALL ( 847152 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.16s WALL ( 802 calls) Parallel routines fft_scatter : 17.38s CPU 18.31s WALL ( 847175 calls) PWSCF : 2m10.73s CPU 2m30.14s WALL This run was terminated on: 21:15:20 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=